| 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 | 34.4 | Very low | 66.5 | Low | 201 Ų | 201 | 70.3 Ų | 70.3 | 99% | 0.99 | 36% | 0.359 | S | S | * | . | 0 | 123.3 | 0 | -66.4 | -176.3 | 91.9 | 0 | 0 | 106.9 | V3 | M1-V3 PolarHBondContact O-N 3.46Š| |||
| 2 | E | 47.4 | Very low | 68.7 | Low | 190 Ų | 190 | 64.5 Ų | 64.5 | 89% | 0.888 | 33% | 0.33 | S | S | * | . | trans | -63.6 | 132.1 | 171.1 | -70.8 | -176.7 | 155.1 | 0 | 0 | 108.2 | A4 | E2-A4 PolarHBondContact O-N 3.24Š| ||
| 3 | V | 49.6 | Very low | 70.6 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 19% | 0.188 | 31% | 0.31 | C | S | . | . | trans | -55.7 | 126.8 | 175.6 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | M1 Y5 E216 T317 F448 | M1-V3 PolarHBondContact O-N 3.46Å; V3-Y5 WeakPolarHBondContact O-CD2 3.23Å; V3-Y5 WeakPolarHBondContact O-CE2 3.31Å; V3-Y5 PolarHBondContact O-N 3.1Å; V3-E216 HydrophobicContact CB-CG 4.38Å; V3-E216 HydrophobicContact CG1-CG 3.75Å; V3-E216 HydrophobicContact CG2-CB 3.83Å; V3-E216 HydrophobicContact CG2-CG 3.68Å; V3-T317 HydrophobicContact CG1-CG2 4.06Å; V3-F448 HydrophobicContact CG2-CE1 4.32Å | ||
| 4 | A | 56.8 | Low | 72.2 | Confident | 88 Ų | 88 | 56 Ų | 56 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | trans | -63 | 107.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | E2 | E2-A4 PolarHBondContact O-N 3.24Š| ||
| 5 | Y | 56.1 | Low | 73.5 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 42% | 0.42 | 28% | 0.28 | S | S | . | . | trans | -76.1 | 130.4 | 177.6 | -73.7 | -91.2 | 0 | 0 | 0 | 109.2 | V3 N7 W8 T317 | V3-Y5 WeakPolarHBondContact O-CD2 3.23Å; V3-Y5 WeakPolarHBondContact O-CE2 3.31Å; V3-Y5 PolarHBondContact O-N 3.1Å; Y5-N7 VanDerWaalsContact C-N 3.31Å; Y5-W8 HydrophobicContact CD2-CB 4.45Å; Y5-W8 HydrophobicContact CG-CB 4.05Å; Y5-T317 HydrophobicContact CD1-CG2 3.28Å; Y5-T317 HydrophobicContact CE1-CG2 3.39Å; Y5-T317 HydrophobicContact CG-CG2 4.06Å | ||
| 6 | I | 68.1 | Low | 74.5 | Confident | 45 Ų | 45 | 54.4 Ų | 54.4 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -66.7 | -42.3 | 166 | -62.1 | 175.2 | 0 | 0 | 0 | 108.8 | Y316 Y318 D319 | I6-Y316 PolarHBondContact N-O 3.14Å; I6-Y318 WeakPolarHBondContact CD1-O 3.34Å; I6-D319 HydrophobicContact CD1-CB 3.83Å |
| 7 | N | 77.3 | Confident | 75.1 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | trans | -139.8 | 109.6 | 172.4 | -170.9 | -16.6 | 0 | 0 | 0 | 109.9 | Y5 M9 Y316 E381 | Y5-N7 VanDerWaalsContact C-N 3.31Å; N7-M9 VanDerWaalsContact C-N 3.34Å; N7-M9 WeakPolarHBondContact OD1-CB 3.46Å; N7-M9 PolarHBondContact OD1-N 3.08Å; N7-Y316 HydrophobicContact CB-CD1 4.36Å; N7-Y316 PolarHBondContact N-O 3.06Å; N7-Y316 WeakPolarHBondContact O-CB 3.49Å; N7-Y316 WeakPolarHBondContact O-CD1 3.19Å; N7-E381 PolarHBondContact ND2-O 2.91Å | ||
| 8 | W | 80.1 | Confident | 75.3 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 21% | 0.205 | 28% | 0.282 | C | S | . | . | trans | -80.4 | -15.5 | -179.8 | 66.7 | -103.1 | 0 | 0 | 0 | 113.4 | Y5 K10 N27 R34 P380 | Y5-W8 HydrophobicContact CD2-CB 4.45Å; Y5-W8 HydrophobicContact CG-CB 4.05Å; W8-K10 PolarHBondContact O-N 3.16Å; W8-K10 VanDerWaalsContact O-N 3.07Å; W8-N27 HydrophobicContact CE3-CB 3.68Å; W8-N27 HydrophobicContact CZ3-CB 3.96Å; W8-R34 HydrophobicContact CH2-CG 4.02Å; W8-R34 HydrophobicContact CZ2-CG 3.95Å; W8-P380 HydrophobicContact CG-CB 4.41Å; W8-P380 HydrophobicContact CZ2-CG 4.02Å | ||
| 9 | M | 85.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -77 | 93.5 | 178.3 | -64.7 | -175.6 | -69.5 | 0 | 0 | 109.6 | N7 S26 P380 W382 | N7-M9 VanDerWaalsContact C-N 3.34Å; N7-M9 WeakPolarHBondContact OD1-CB 3.46Å; N7-M9 PolarHBondContact OD1-N 3.08Å; M9-S26 CarbonylContact C-O 3.46Å; M9-S26 WeakPolarHBondContact CA-O 3.26Å; M9-P380 HydrophobicContact CE-CB 4Å; M9-P380 HydrophobicContact CE-CG 3.95Å; M9-P380 HydrophobicContact SD-CG 4.42Å; M9-W382 HydrophobicContact CE-CB 4.46Å; M9-W382 HydrophobicContact CE-CD2 3.86Å; M9-W382 HydrophobicContact CE-CE3 4.03Å; M9-W382 HydrophobicContact CE-CG 4.08Å; M9-W382 HydrophobicContact SD-CD2 4.32Å; M9-W382 HydrophobicContact SD-CE3 4.15Å; M9-W382 HydrophobicContact SD-CH2 4.16Å; M9-W382 HydrophobicContact SD-CZ2 4.31Å; M9-W382 HydrophobicContact SD-CZ3 4.08Å | ||
| 10 | K | 86.7 | Confident | 76.2 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 13% | 0.13 | 28% | 0.276 | C | S | . | . | trans | -90.8 | -17.3 | -179.5 | -62 | -141.6 | -161.9 | 171.5 | 0 | 113.7 | W8 S26 V28 Y188 Y316 | W8-K10 PolarHBondContact O-N 3.16Å; W8-K10 VanDerWaalsContact O-N 3.07Å; K10-S26 PolarHBondContact N-O 3.33Å; K10-V28 HydrophobicContact CB-CG2 4.02Å; K10-V28 HydrophobicContact CD-CG2 3.36Å; K10-V28 VanDerWaalsContact CE-CG2 3.43Å; K10-V28 HydrophobicContact CG-CG2 3.64Å; K10-Y188 WeakPolarHBondContact O-CD1 2.9Å; K10-Y316 HydrophobicContact CB-CE1 4.35Å; K10-Y316 HydrophobicContact CD-CD1 4.4Å; K10-Y316 HydrophobicContact CD-CD2 3.67Å; K10-Y316 HydrophobicContact CD-CE2 3.89Å; K10-Y316 HydrophobicContact CD-CG 3.92Å; K10-Y316 HydrophobicContact CG-CD1 4.02Å; K10-Y316 HydrophobicContact CG-CD2 4.18Å; K10-Y316 HydrophobicContact CG-CE1 4.16Å; K10-Y316 HydrophobicContact CG-CE2 4.28Å; K10-Y316 HydrophobicContact CG-CG 4.03Å | ||
| 11 | S | 90.2 | Very high | 76.8 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136 | 177.4 | 168.3 | 0 | 0 | 0 | 0 | 108.9 | G25 S26 | S11-G25 CarbonylContact O-C 3.52Å; S11-G25 WeakPolarHBondContact O-CA 3.36Å; S11-S26 WeakPolarHBondContact CB-OG 3.19Å; S11-S26 PolarHBondContact N-O 3.33Å; S11-S26 PolarHBondContact O-N 2.83Å; S11-S26 PolarHBondContact O-OG 3.12Å |
| 12 | I | 93 | Very high | 79.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 117.6 | -178.6 | -57.5 | 172.8 | 0 | 0 | 0 | 107.7 | L23 V24 C187 V190 | I12-L23 HydrophobicContact CG2-CB 4.02Å; I12-L23 HydrophobicContact CG2-CD2 4.39Å; I12-V24 CarbonylContact C-O 3.57Å; I12-V24 WeakPolarHBondContact CA-O 3.25Å; I12-C187 PolarHBondContact N-O 2.97Å; I12-C187 PolarHBondContact O-N 3.34Å; I12-C187 PolarHBondContact O-SG 2.98Å; I12-V190 HydrophobicContact CD1-CG2 3.83Å |
| 13 | S | 93.3 | Very high | 81.8 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.3 | 175.1 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | V24 | S13-V24 PolarHBondContact N-O 2.7Å; S13-V24 PolarHBondContact O-N 2.63Å |
| 14 | V | 93.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.9 | -178.5 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | I21 L23 V184 T185 L204 | V14-I21 HydrophobicContact CG1-CG2 3.89Å; V14-L23 HydrophobicContact CB-CD2 4.16Å; V14-L23 HydrophobicContact CG1-CD2 3.89Å; V14-L23 HydrophobicContact CG2-CD2 3.61Å; V14-V184 PolarHBondContact O-N 2.84Å; V14-T185 HydrophobicContact CB-CG2 4.01Å; V14-T185 HydrophobicContact CG2-CG2 3.88Å; V14-T185 PolarHBondContact N-O 3.11Å; V14-L204 HydrophobicContact CG2-CD1 3.91Å |
| 15 | Y | 91.6 | Very high | 85.5 | Confident | 44 Ų | 44 | 26.9 Ų | 26.9 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.5 | 174.4 | -61.5 | -95.6 | 0 | 0 | 0 | 110.5 | I21 Y22 V24 L93 L181 V182 L183 | Y15-I21 CarbonylContact O-C 3.47Å; Y15-I21 WeakPolarHBondContact O-CA 3.41Å; Y15-Y22 PolarHBondContact N-O 2.85Å; Y15-Y22 PolarHBondContact O-N 2.81Å; Y15-V24 HydrophobicContact CD2-CB 4.39Å; Y15-V24 HydrophobicContact CD2-CG2 3.71Å; Y15-V24 HydrophobicContact CE2-CB 4.09Å; Y15-V24 HydrophobicContact CE2-CG2 3.72Å; Y15-L93 HydrophobicContact CD2-CD2 4.31Å; Y15-L93 HydrophobicContact CE1-CD1 4.36Å; Y15-L93 HydrophobicContact CE2-CD1 4.19Å; Y15-L93 HydrophobicContact CE2-CD2 4.3Å; Y15-L93 HydrophobicContact CG-CD2 4.48Å; Y15-L181 HydrophobicContact CD1-CD2 4.24Å; Y15-L181 HydrophobicContact CD1-CG 4.22Å; Y15-V182 CarbonylContact C-O 3.53Å; Y15-V182 VanDerWaalsContact CA-O 3.28Å; Y15-V182 WeakPolarHBondContact CA-O 3.49Å; Y15-L183 HydrophobicContact CD1-CB 3.93Å; Y15-L183 HydrophobicContact CD1-CD1 4.17Å; Y15-L183 HydrophobicContact CD2-CD1 4.39Å; Y15-L183 HydrophobicContact CE1-CB 3.75Å; Y15-L183 HydrophobicContact CE1-CD1 3.85Å; Y15-L183 HydrophobicContact CE1-CG 4.33Å; Y15-L183 HydrophobicContact CE2-CD1 4.08Å; Y15-L183 HydrophobicContact CG-CD1 4.43Å |
| 16 | E | 88.3 | Confident | 87.2 | Confident | 42 Ų | 42 | 21.9 Ų | 21.9 | 20% | 0.196 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.2 | 176.5 | -69 | -169.6 | -174.3 | 0 | 0 | 111.5 | I21 R40 L181 V182 V184 L228 | E16-I21 HydrophobicContact CG-CG1 4.25Å; E16-R40 IonicContact OE1-NH2 2.64Å; E16-R40 IonicContact OE2-CZ 3.22Å; E16-R40 IonicContact OE2-NH2 3.64Å; E16-R40 PolarHBondContact OE2-NH2 2.99Å; E16-L181 WeakPolarHBondContact O-CA 3.25Å; E16-V182 PolarHBondContact N-O 3.11Å; E16-V182 PolarHBondContact O-N 3.14Å; E16-V184 HydrophobicContact CB-CG2 3.69Å; E16-V184 VanDerWaalsContact CD-CG2 3.44Å; E16-V184 HydrophobicContact CG-CB 4.24Å; E16-V184 HydrophobicContact CG-CG2 3.39Å; E16-L228 WeakPolarHBondContact OE1-CD1 3.39Å; E16-L228 WeakPolarHBondContact OE1-CD2 3.5Å |
| 17 | S | 85 | Confident | 88.1 | Confident | 7 Ų | 7 | 21.2 Ų | 21.2 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | trans | -120.2 | 169.4 | 163.4 | 79.4 | 0 | 0 | 0 | 0 | 109.6 | S19 H20 R40 | S17-S19 PolarHBondContact O-N 3.45Å; S17-S19 PolarHBondContact OG-N 3Å; S17-H20 PolarHBondContact N-O 3.42Å; S17-H20 PolarHBondContact OG-N 3.23Å; S17-H20 PolarHBondContact OG-O 3.33Å; S17-R40 PolarHBondContact O-NE 3.36Å; S17-R40 VanDerWaalsContact O-NE 3.09Å | ||
| 18 | P | 79.4 | Confident | 88.3 | Confident | 96 Ų | 96 | 25.5 Ų | 25.5 | 62% | 0.623 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -57.6 | -27.8 | 176.4 | -26.8 | 35.8 | 0 | 0 | 0 | 113.9 | R40 | P18-R40 WeakPolarHBondContact O-CD 3.36Š|
| 19 | S | 80.1 | Confident | 88.3 | Confident | 48 Ų | 48 | 25.2 Ų | 25.2 | 34% | 0.336 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -106.8 | -23.1 | -175.5 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | S17 R40 | S17-S19 PolarHBondContact O-N 3.45Å; S17-S19 PolarHBondContact OG-N 3Å; S19-R40 PolarHBondContact O-N 2.95Å |
| 20 | H | 87.3 | Confident | 88.3 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 11% | 0.106 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156.9 | -169.9 | -60.8 | 89.5 | 0 | 0 | 0 | 113 | S17 Y22 K37 I38 | S17-H20 PolarHBondContact N-O 3.42Å; S17-H20 PolarHBondContact OG-N 3.23Å; S17-H20 PolarHBondContact OG-O 3.33Å; H20-Y22 HydrophobicContact CB-CD2 4.3Å; H20-Y22 HydrophobicContact CB-CE2 3.63Å; H20-K37 HydrophobicContact CB-CG 4.4Å; H20-K37 WeakPolarHBondContact CD2-CE 3.3Å; H20-K37 VanDerWaalsContact CG-CE 3.41Å; H20-K37 WeakPolarHBondContact NE2-CE 3.41Å; H20-K37 PolarHBondContact NE2-NZ 3.39Å; H20-I38 CarbonylContact C-O 3.57Å; H20-I38 VanDerWaalsContact CA-O 3.31Å; H20-I38 WeakPolarHBondContact CA-O 3.38Å |
| 21 | I | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.1 | 166.2 | -59.4 | 163.8 | 0 | 0 | 0 | 107.1 | V14 Y15 E16 L23 K37 I38 L228 I230 | V14-I21 HydrophobicContact CG1-CG2 3.89Å; Y15-I21 CarbonylContact O-C 3.47Å; Y15-I21 WeakPolarHBondContact O-CA 3.41Å; E16-I21 HydrophobicContact CG-CG1 4.25Å; I21-L23 HydrophobicContact CG2-CD2 4.46Å; I21-K37 CarbonylContact O-C 3.59Å; I21-K37 WeakPolarHBondContact O-CA 3.41Å; I21-I38 HydrophobicContact CB-CB 4.39Å; I21-I38 PolarHBondContact N-O 2.84Å; I21-I38 PolarHBondContact O-N 3.11Å; I21-L228 HydrophobicContact CD1-CD2 3.73Å; I21-L228 HydrophobicContact CG1-CD2 4.5Å; I21-L228 HydrophobicContact CG2-CD2 4.36Å; I21-I230 HydrophobicContact CD1-CB 4.36Å; I21-I230 HydrophobicContact CD1-CD1 4.2Å; I21-I230 HydrophobicContact CD1-CG1 3.69Å; I21-I230 HydrophobicContact CD1-CG2 4.17Å |
| 22 | Y | 92.3 | Very high | 88.1 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.9 | 178.8 | -58.8 | -94.4 | 0 | 0 | 0 | 109.3 | Y15 H20 I35 L36 K37 I96 L181 | Y15-Y22 PolarHBondContact N-O 2.85Å; Y15-Y22 PolarHBondContact O-N 2.81Å; H20-Y22 HydrophobicContact CB-CD2 4.3Å; H20-Y22 HydrophobicContact CB-CE2 3.63Å; Y22-I35 HydrophobicContact CD1-CG2 4.17Å; Y22-L36 CarbonylContact C-O 3.4Å; Y22-L36 WeakPolarHBondContact CA-O 3.38Å; Y22-K37 HydrophobicContact CD1-CB 4.19Å; Y22-K37 HydrophobicContact CD1-CG 4.13Å; Y22-K37 HydrophobicContact CE1-CB 4.3Å; Y22-K37 HydrophobicContact CE1-CD 3.9Å; Y22-K37 HydrophobicContact CE1-CG 3.83Å; Y22-I96 HydrophobicContact CD1-CD1 4.2Å; Y22-I96 HydrophobicContact CE1-CD1 3.88Å; Y22-I96 HydrophobicContact CE2-CG2 3.88Å; Y22-L181 HydrophobicContact CD2-CD1 4.02Å; Y22-L181 HydrophobicContact CE2-CD1 4.21Å |
| 23 | L | 93.3 | Very high | 87.9 | Confident | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.3 | 170 | -57.3 | -174.9 | 0 | 0 | 0 | 108.4 | I12 V14 I21 I35 L36 I38 V190 L202 W382 | I12-L23 HydrophobicContact CG2-CB 4.02Å; I12-L23 HydrophobicContact CG2-CD2 4.39Å; V14-L23 HydrophobicContact CB-CD2 4.16Å; V14-L23 HydrophobicContact CG1-CD2 3.89Å; V14-L23 HydrophobicContact CG2-CD2 3.61Å; I21-L23 HydrophobicContact CG2-CD2 4.46Å; L23-I35 CarbonylContact O-C 3.6Å; L23-I35 WeakPolarHBondContact O-CA 3.39Å; L23-L36 HydrophobicContact CB-CB 4.4Å; L23-L36 HydrophobicContact CB-CD2 4.39Å; L23-L36 HydrophobicContact CD1-CD2 3.77Å; L23-L36 HydrophobicContact CG-CD2 4.17Å; L23-L36 PolarHBondContact N-O 2.79Å; L23-L36 PolarHBondContact O-N 3.27Å; L23-I38 HydrophobicContact CD1-CD1 4.44Å; L23-V190 HydrophobicContact CD1-CG2 4.03Å; L23-L202 HydrophobicContact CD1-CD2 4.23Å; L23-L202 HydrophobicContact CD2-CD2 4.04Å; L23-W382 HydrophobicContact CB-CE3 4.31Å; L23-W382 HydrophobicContact CB-CH2 4.49Å; L23-W382 HydrophobicContact CB-CZ3 3.73Å; L23-W382 WeakPolarHBondContact O-CH2 3.36Å |
| 24 | V | 92.9 | Very high | 87.7 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 96.9 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | I12 S13 Y15 F33 R34 I35 L89 L93 | I12-V24 CarbonylContact C-O 3.57Å; I12-V24 WeakPolarHBondContact CA-O 3.25Å; S13-V24 PolarHBondContact N-O 2.7Å; S13-V24 PolarHBondContact O-N 2.63Å; Y15-V24 HydrophobicContact CD2-CB 4.39Å; Y15-V24 HydrophobicContact CD2-CG2 3.71Å; Y15-V24 HydrophobicContact CE2-CB 4.09Å; Y15-V24 HydrophobicContact CE2-CG2 3.72Å; V24-F33 HydrophobicContact CG1-CB 4.43Å; V24-F33 HydrophobicContact CG1-CD1 4.01Å; V24-R34 CarbonylContact C-O 3.53Å; V24-R34 VanDerWaalsContact CA-O 3.29Å; V24-R34 WeakPolarHBondContact CA-O 3.4Å; V24-I35 HydrophobicContact CG2-CG1 4.39Å; V24-L89 HydrophobicContact CG1-CD1 3.74Å; V24-L89 HydrophobicContact CG1-CD2 3.59Å; V24-L89 HydrophobicContact CG1-CG 4.32Å; V24-L89 HydrophobicContact CG2-CD1 4.38Å; V24-L93 HydrophobicContact CG2-CD2 4.45Å |
| 25 | G | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 138.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S11 F33 R34 | S11-G25 CarbonylContact O-C 3.52Å; S11-G25 WeakPolarHBondContact O-CA 3.36Å; G25-F33 CarbonylContact O-C 3.56Å; G25-F33 WeakPolarHBondContact O-CA 3.4Å; G25-R34 PolarHBondContact N-O 3.41Å; G25-R34 PolarHBondContact O-N 3.38Å |
| 26 | S | 90.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 154 | -179.5 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | M9 K10 S11 Y32 F33 | M9-S26 CarbonylContact C-O 3.46Å; M9-S26 WeakPolarHBondContact CA-O 3.26Å; K10-S26 PolarHBondContact N-O 3.33Å; S11-S26 WeakPolarHBondContact CB-OG 3.19Å; S11-S26 PolarHBondContact N-O 3.33Å; S11-S26 PolarHBondContact O-N 2.83Å; S11-S26 PolarHBondContact O-OG 3.12Å; S26-Y32 WeakPolarHBondContact CA-O 3.37Å; S26-F33 VanDerWaalsContact CB-CD1 3.44Å; S26-F33 VanDerWaalsContact CB-CE1 3.42Å |
| 27 | N | 87.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | trans | -76.2 | 169.4 | 171 | 71.9 | -37.2 | 0 | 0 | 0 | 111.2 | W8 G29 E30 R31 Y32 | W8-N27 HydrophobicContact CE3-CB 3.68Å; W8-N27 HydrophobicContact CZ3-CB 3.96Å; N27-G29 PolarHBondContact O-N 3.12Å; N27-G29 VanDerWaalsContact O-N 3.1Å; N27-E30 PolarHBondContact O-N 2.64Å; N27-E30 PolarHBondContact OD1-N 3.23Å; N27-R31 PolarHBondContact OD1-N 2.97Å; N27-Y32 PolarHBondContact N-O 3.18Å; N27-Y32 PolarHBondContact OD1-N 3.31Å; N27-Y32 PolarHBondContact OD1-O 2.73Å | ||
| 28 | V | 81.1 | Confident | 87.8 | Confident | 98 Ų | 98 | 40.2 Ų | 40.2 | 59% | 0.594 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -39.5 | -178.5 | 179.9 | 0 | 0 | 0 | 0 | 113.3 | K10 E30 | K10-V28 HydrophobicContact CB-CG2 4.02Å; K10-V28 HydrophobicContact CD-CG2 3.36Å; K10-V28 VanDerWaalsContact CE-CG2 3.43Å; K10-V28 HydrophobicContact CG-CG2 3.64Å; V28-E30 VanDerWaalsContact C-N 3.33Å |
| 29 | G | 81.8 | Confident | 88.1 | Confident | 47 Ų | 47 | 36 Ų | 36 | 49% | 0.485 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.1 | N27 R31 | N27-G29 PolarHBondContact O-N 3.12Å; N27-G29 VanDerWaalsContact O-N 3.1Å; G29-R31 WeakPolarHBondContact O-CG 3.41Å; G29-R31 PolarHBondContact O-N 2.78Å; G29-R31 VanDerWaalsContact O-N 3.15Å |
| 30 | E | 84.6 | Confident | 88.1 | Confident | 68 Ų | 68 | 35.8 Ų | 35.8 | 32% | 0.318 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 47.1 | 40.6 | -173.6 | -65.9 | -168.3 | 165.3 | 0 | 0 | 112.9 | N27 V28 F33 K186 | N27-E30 PolarHBondContact O-N 2.64Å; N27-E30 PolarHBondContact OD1-N 3.23Å; V28-E30 VanDerWaalsContact C-N 3.33Å; E30-F33 HydrophobicContact CB-CE1 4.37Å; E30-F33 HydrophobicContact CB-CZ 3.87Å; E30-F33 WeakPolarHBondContact O-CE2 3.16Å; E30-F33 WeakPolarHBondContact O-CZ 3.44Å; E30-K186 IonicContact OE1-NZ 3.43Å |
| 31 | R | 84.2 | Confident | 87.5 | Confident | 181 Ų | 181 | 37.4 Ų | 37.4 | 68% | 0.683 | 19% | 0.19 | S | C | * | . | trans | -94.4 | -38.8 | -179.9 | -64.1 | -173.6 | -178.5 | 176.4 | -0.9 | 112.1 | N27 G29 | N27-R31 PolarHBondContact OD1-N 2.97Å; G29-R31 WeakPolarHBondContact O-CG 3.41Å; G29-R31 PolarHBondContact O-N 2.78Å; G29-R31 VanDerWaalsContact O-N 3.15Å | ||
| 32 | Y | 87.1 | Confident | 86.5 | Confident | 134 Ų | 134 | 38 Ų | 38 | 53% | 0.525 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.6 | -177 | -58.4 | -70.3 | 0 | 0 | 0 | 109.9 | S26 N27 I83 | S26-Y32 WeakPolarHBondContact CA-O 3.37Å; N27-Y32 PolarHBondContact N-O 3.18Å; N27-Y32 PolarHBondContact OD1-N 3.31Å; N27-Y32 PolarHBondContact OD1-O 2.73Å; Y32-I83 HydrophobicContact CD1-CG2 4.02Å; Y32-I83 HydrophobicContact CG-CG2 4.33Å |
| 33 | F | 89.5 | Confident | 85.3 | Confident | 14 Ų | 14 | 38 Ų | 38 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.8 | -174.9 | -59.7 | -92.6 | 0 | 0 | 0 | 112.1 | V24 G25 S26 E30 I83 Y84 K86 L89 | V24-F33 HydrophobicContact CG1-CB 4.43Å; V24-F33 HydrophobicContact CG1-CD1 4.01Å; G25-F33 CarbonylContact O-C 3.56Å; G25-F33 WeakPolarHBondContact O-CA 3.4Å; S26-F33 VanDerWaalsContact CB-CD1 3.44Å; S26-F33 VanDerWaalsContact CB-CE1 3.42Å; E30-F33 HydrophobicContact CB-CE1 4.37Å; E30-F33 HydrophobicContact CB-CZ 3.87Å; E30-F33 WeakPolarHBondContact O-CE2 3.16Å; E30-F33 WeakPolarHBondContact O-CZ 3.44Å; F33-I83 CarbonylContact O-C 3.58Å; F33-I83 WeakPolarHBondContact O-CA 3.26Å; F33-Y84 PolarHBondContact N-O 3Å; F33-Y84 PolarHBondContact O-N 3.09Å; F33-K86 HydrophobicContact CE2-CB 3.81Å; F33-K86 HydrophobicContact CE2-CG 4.12Å; F33-K86 HydrophobicContact CZ-CG 4.35Å; F33-L89 HydrophobicContact CB-CD2 3.94Å; F33-L89 HydrophobicContact CD1-CD2 3.4Å; F33-L89 HydrophobicContact CD2-CB 4.46Å; F33-L89 HydrophobicContact CD2-CD2 3.99Å; F33-L89 HydrophobicContact CE1-CD2 3.77Å; F33-L89 HydrophobicContact CE2-CD2 4.34Å; F33-L89 HydrophobicContact CG-CB 4.49Å; F33-L89 HydrophobicContact CG-CD2 3.5Å; F33-L89 VanDerWaalsContact CG-CD2 3.5Å; F33-L89 HydrophobicContact CZ-CD2 4.22Å |
| 34 | R | 89.7 | Confident | 83.7 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 156.1 | 170.1 | -77 | -175.7 | 169.7 | -142.4 | -8.4 | 110.8 | W8 V24 G25 E79 I83 Q379 P380 W382 | W8-R34 HydrophobicContact CH2-CG 4.02Å; W8-R34 HydrophobicContact CZ2-CG 3.95Å; V24-R34 CarbonylContact C-O 3.53Å; V24-R34 VanDerWaalsContact CA-O 3.29Å; V24-R34 WeakPolarHBondContact CA-O 3.4Å; G25-R34 PolarHBondContact N-O 3.41Å; G25-R34 PolarHBondContact O-N 3.38Å; R34-E79 IonicContact NH1-OE1 3.75Å; R34-E79 PolarHBondContact NH1-OE1 3.36Å; R34-I83 HydrophobicContact CG-CG1 4.15Å; R34-Q379 VanDerWaalsContact NH1-CD 3.29Å; R34-P380 VanDerWaalsContact NH1-CD 3.33Å; R34-W382 HydrophobicContact CB-CH2 4.14Å; R34-W382 HydrophobicContact CB-CZ2 3.9Å |
| 35 | I | 90.1 | Very high | 82 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.4 | -176.7 | -52.8 | 178.8 | 0 | 0 | 0 | 109.2 | Y22 L23 V24 D80 Y84 L89 I92 | Y22-I35 HydrophobicContact CD1-CG2 4.17Å; L23-I35 CarbonylContact O-C 3.6Å; L23-I35 WeakPolarHBondContact O-CA 3.39Å; V24-I35 HydrophobicContact CG2-CG1 4.39Å; I35-D80 HydrophobicContact CB-CB 4.37Å; I35-D80 WeakPolarHBondContact O-CB 3.39Å; I35-D80 PolarHBondContact O-N 3.26Å; I35-Y84 HydrophobicContact CD1-CD2 3.96Å; I35-Y84 HydrophobicContact CD1-CE2 3.76Å; I35-Y84 HydrophobicContact CG1-CD2 4.04Å; I35-Y84 HydrophobicContact CG1-CE2 3.98Å; I35-L89 HydrophobicContact CD1-CD1 3.8Å; I35-L89 HydrophobicContact CG1-CD1 4.18Å; I35-I92 HydrophobicContact CD1-CG2 3.92Å |
| 36 | L | 91.2 | Very high | 79.9 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.6 | 167 | 175.7 | 140.6 | 0 | 0 | 0 | 109 | Y22 L23 I38 I77 E79 F364 W382 | Y22-L36 CarbonylContact C-O 3.4Å; Y22-L36 WeakPolarHBondContact CA-O 3.38Å; L23-L36 HydrophobicContact CB-CB 4.4Å; L23-L36 HydrophobicContact CB-CD2 4.39Å; L23-L36 HydrophobicContact CD1-CD2 3.77Å; L23-L36 HydrophobicContact CG-CD2 4.17Å; L23-L36 PolarHBondContact N-O 2.79Å; L23-L36 PolarHBondContact O-N 3.27Å; L36-I38 HydrophobicContact CD2-CD1 3.97Å; L36-I38 HydrophobicContact CD2-CG1 3.71Å; L36-I77 HydrophobicContact CD1-CG2 3.69Å; L36-I77 HydrophobicContact CD2-CG2 3.77Å; L36-I77 HydrophobicContact CG-CG2 3.78Å; L36-E79 HydrophobicContact CD1-CB 4.47Å; L36-F364 HydrophobicContact CD1-CE1 4.03Å; L36-F364 HydrophobicContact CD1-CZ 3.61Å; L36-W382 HydrophobicContact CB-CD2 3.73Å; L36-W382 VanDerWaalsContact CB-CE2 3.44Å; L36-W382 HydrophobicContact CB-CE3 3.87Å; L36-W382 HydrophobicContact CB-CH2 3.47Å; L36-W382 VanDerWaalsContact CB-CH2 3.47Å; L36-W382 HydrophobicContact CB-CZ2 3.32Å; L36-W382 HydrophobicContact CB-CZ3 3.75Å; L36-W382 HydrophobicContact CD1-CB 4.37Å; L36-W382 HydrophobicContact CD1-CD2 3.71Å; L36-W382 HydrophobicContact CD1-CE3 4.41Å; L36-W382 HydrophobicContact CD1-CG 3.64Å; L36-W382 HydrophobicContact CG-CD2 4.28Å; L36-W382 VanDerWaalsContact N-CH2 3.29Å |
| 37 | K | 89.7 | Confident | 77.7 | Confident | 50 Ų | 50 | 61.7 Ų | 61.7 | 22% | 0.217 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.4 | -174 | 177.8 | -176.6 | 173.2 | -172 | 0 | 109 | H20 I21 Y22 I77 I78 | H20-K37 HydrophobicContact CB-CG 4.4Å; H20-K37 WeakPolarHBondContact CD2-CE 3.3Å; H20-K37 VanDerWaalsContact CG-CE 3.41Å; H20-K37 WeakPolarHBondContact NE2-CE 3.41Å; H20-K37 PolarHBondContact NE2-NZ 3.39Å; I21-K37 CarbonylContact O-C 3.59Å; I21-K37 WeakPolarHBondContact O-CA 3.41Å; Y22-K37 HydrophobicContact CD1-CB 4.19Å; Y22-K37 HydrophobicContact CD1-CG 4.13Å; Y22-K37 HydrophobicContact CE1-CB 4.3Å; Y22-K37 HydrophobicContact CE1-CD 3.9Å; Y22-K37 HydrophobicContact CE1-CG 3.83Å; K37-I77 CarbonylContact O-C 3.59Å; K37-I77 WeakPolarHBondContact O-CA 3.5Å; K37-I78 HydrophobicContact CB-CB 4.4Å; K37-I78 PolarHBondContact N-O 3.12Å; K37-I78 PolarHBondContact O-N 3.29Å |
| 38 | I | 90.1 | Very high | 75.7 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.6 | 175.2 | -51.4 | 177.6 | 0 | 0 | 0 | 107.6 | H20 I21 L23 L36 L75 I77 I230 | H20-I38 CarbonylContact C-O 3.57Å; H20-I38 VanDerWaalsContact CA-O 3.31Å; H20-I38 WeakPolarHBondContact CA-O 3.38Å; I21-I38 HydrophobicContact CB-CB 4.39Å; I21-I38 PolarHBondContact N-O 2.84Å; I21-I38 PolarHBondContact O-N 3.11Å; L23-I38 HydrophobicContact CD1-CD1 4.44Å; L36-I38 HydrophobicContact CD2-CD1 3.97Å; L36-I38 HydrophobicContact CD2-CG1 3.71Å; I38-L75 HydrophobicContact CG2-CD2 4.37Å; I38-I77 HydrophobicContact CG1-CG1 4.27Å; I38-I77 HydrophobicContact CG1-CG2 4.3Å; I38-I77 HydrophobicContact CG2-CG1 4.32Å; I38-I230 HydrophobicContact CD1-CD1 4.44Å; I38-I230 HydrophobicContact CG2-CD1 4.17Å |
| 39 | A | 85.1 | Confident | 73.8 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 7% | 0.066 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 140.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | N76 | A39-N76 HydrophobicContact CB-CB 3.92Å; A39-N76 PolarHBondContact N-O 3.14Å |
| 40 | R | 80.6 | Confident | 72 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -75.6 | -31.5 | 170.3 | -67.7 | -176.9 | -178.4 | -92.3 | 3.3 | 111.5 | E16 S17 P18 S19 P231 | E16-R40 IonicContact OE1-NH2 2.64Å; E16-R40 IonicContact OE2-CZ 3.22Å; E16-R40 IonicContact OE2-NH2 3.64Å; E16-R40 PolarHBondContact OE2-NH2 2.99Å; S17-R40 PolarHBondContact O-NE 3.36Å; S17-R40 VanDerWaalsContact O-NE 3.09Å; P18-R40 WeakPolarHBondContact O-CD 3.36Å; S19-R40 PolarHBondContact O-N 2.95Å; R40-P231 VanDerWaalsContact NH1-CD 3.29Å |
| 41 | A | 73.6 | Confident | 69.8 | Low | 57 Ų | 57 | 71 Ų | 71 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -73.7 | 130.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 42 | P | 70 | Confident | 67.8 | Low | 13 Ų | 13 | 65 Ų | 65 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 159.2 | 173 | 31.2 | -33.1 | 0 | 0 | 0 | 110.6 | P44 L72 R74 N233 | P42-P44 WeakPolarHBondContact O-CD 3.36Å; P42-L72 WeakPolarHBondContact CB-O 3.42Å; P42-R74 WeakPolarHBondContact CA-O 3.41Å; P42-N233 VanDerWaalsContact CD-CG 3.44Å; P42-N233 WeakPolarHBondContact CD-OD1 3.49Å; P42-N233 HydrophobicContact CG-CB 4.15Å; P42-N233 VanDerWaalsContact CG-CG 3.43Å; P42-N233 WeakPolarHBondContact CG-ND2 3.43Å; P42-N233 WeakPolarHBondContact CG-OD1 3.49Å |
| 43 | V | 67.2 | Low | 65.3 | Low | 24 Ų | 24 | 62.5 Ų | 62.5 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 119.6 | 176.9 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | L45 R74 N76 | V43-L45 PolarHBondContact O-N 3.45Å; V43-R74 HydrophobicContact CG2-CB 4.49Å; V43-R74 HydrophobicContact CG2-CG 4.46Å; V43-R74 PolarHBondContact N-O 3.45Å; V43-R74 VanDerWaalsContact N-O 3.15Å; V43-N76 HydrophobicContact CG2-CB 3.69Å |
| 44 | P | 59.8 | Low | 63 | Low | 113 Ų | 113 | 71.8 Ų | 71.8 | 73% | 0.734 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 127.8 | 177.1 | 23.1 | -30.1 | 0 | 0 | 0 | 110 | P42 R46 | P42-P44 WeakPolarHBondContact O-CD 3.36Å; P44-R46 PolarHBondContact O-N 3.25Å |
| 45 | L | 56 | Low | 60.3 | Low | 70 Ų | 70 | 80.3 Ų | 80.3 | 37% | 0.366 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 121 | 170.5 | -61.9 | 173.9 | 0 | 0 | 0 | 107.4 | V43 E47 L52 R71 L72 | V43-L45 PolarHBondContact O-N 3.45Å; L45-E47 PolarHBondContact O-N 2.96Å; L45-L52 HydrophobicContact CD2-CD1 4.11Å; L45-R71 HydrophobicContact CD2-CB 4.28Å; L45-L72 HydrophobicContact CD1-CD2 3.6Å; L45-L72 HydrophobicContact CD1-CG 4.3Å |
| 46 | R | 48.9 | Very low | 57.8 | Low | 177 Ų | 177 | 83.3 Ų | 83.3 | 67% | 0.668 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 132.5 | 176.3 | -78.7 | -174.2 | 175.4 | 176.2 | -1.7 | 110 | P44 H49 D53 | P44-R46 PolarHBondContact O-N 3.25Å; R46-H49 PolarHBondContact O-N 2.7Å; R46-D53 IonicContact NH1-OD2 3.81Å |
| 47 | E | 42.8 | Very low | 55.5 | Low | 145 Ų | 145 | 87.9 Ų | 87.9 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 134.8 | 174.2 | -55.5 | -167 | 137.9 | 0 | 0 | 110.5 | L45 H49 Q276 | L45-E47 PolarHBondContact O-N 2.96Å; E47-H49 VanDerWaalsContact C-N 3.28Å; E47-H49 PolarHBondContact O-N 3.24Å; E47-Q276 PolarHBondContact OE1-NE2 2.93Å |
| 48 | G | 46.8 | Very low | 53.4 | Low | 73 Ų | 73 | 86.9 Ų | 86.9 | 75% | 0.753 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -13.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 49 | H | 40 | Very low | 51.5 | Low | 101 Ų | 101 | 87.8 Ų | 87.8 | 47% | 0.468 | 47% | 0.467 | S | S | . | . | trans | -122.1 | 74.8 | 178.9 | -64.4 | -65.3 | 0 | 0 | 0 | 110.6 | R46 E47 W51 | R46-H49 PolarHBondContact O-N 2.7Å; E47-H49 VanDerWaalsContact C-N 3.28Å; E47-H49 PolarHBondContact O-N 3.24Å; H49-W51 CarbonylContact O-C 3.52Å; H49-W51 PolarHBondContact O-N 3.29Å; H49-W51 VanDerWaalsContact O-N 3.16Å | ||
| 50 | L | 45.7 | Very low | 50.6 | Low | 96 Ų | 96 | 91.8 Ų | 91.8 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -60.5 | -17.8 | 165.5 | -162.7 | 71.5 | 0 | 0 | 0 | 111.4 | L52 L68 R71 | L50-L52 PolarHBondContact O-N 2.87Å; L50-L68 HydrophobicContact CD1-CD2 4.41Å; L50-L68 HydrophobicContact CD2-CD2 4.44Å; L50-R71 PolarHBondContact O-NH1 2.91Å |
| 51 | W | 38.5 | Very low | 49.8 | Very low | 171 Ų | 171 | 91.4 Ų | 91.4 | 65% | 0.648 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -80.4 | 95.9 | 163.8 | -36.6 | 95.2 | 0 | 0 | 0 | 108.5 | H49 D53 L790 | H49-W51 CarbonylContact O-C 3.52Å; H49-W51 PolarHBondContact O-N 3.29Å; H49-W51 VanDerWaalsContact O-N 3.16Å; W51-D53 PolarHBondContact O-N 3.2Å; W51-L790 HydrophobicContact CH2-CD2 4.46Å; W51-L790 HydrophobicContact CZ3-CD2 4.32Å |
| 52 | L | 40.6 | Very low | 49.4 | Very low | 53 Ų | 53 | 89 Ų | 89 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | trans | -61.6 | 122 | 171.1 | -88.7 | 101.1 | 0 | 0 | 0 | 109.1 | L45 L50 K54 R74 | L45-L52 HydrophobicContact CD2-CD1 4.11Å; L50-L52 PolarHBondContact O-N 2.87Å; L52-K54 PolarHBondContact O-N 2.85Å; L52-R74 VanDerWaalsContact CD2-NH1 3.29Å | ||
| 53 | D | 36.2 | Very low | 49.2 | Very low | 82 Ų | 82 | 88.8 Ų | 88.8 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | trans | -48.3 | 128 | 174.2 | -71.9 | -38.6 | 0 | 0 | 0 | 110.6 | R46 W51 E55 S59 | R46-D53 IonicContact NH1-OD2 3.81Å; W51-D53 PolarHBondContact O-N 3.2Å; D53-E55 PolarHBondContact O-N 3.38Å; D53-S59 PolarHBondContact O-OG 2.85Å | ||
| 54 | K | 40.8 | Very low | 49 | Very low | 209 Ų | 209 | 89.5 Ų | 89.5 | 91% | 0.909 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.4 | 174.9 | -81.3 | -177.4 | 176.1 | 176.7 | 0 | 113.2 | L52 | L52-K54 PolarHBondContact O-N 2.85Š|
| 55 | E | 33.4 | Very low | 48.7 | Very low | 187 Ų | 187 | 87.1 Ų | 87.1 | 87% | 0.874 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -12 | -169.7 | -65.5 | -168.7 | 162.1 | 0 | 0 | 115.4 | D53 | D53-E55 PolarHBondContact O-N 3.38Š|
| 56 | C | 36.2 | Very low | 49 | Very low | 72 Ų | 72 | 84.4 Ų | 84.4 | 49% | 0.486 | 45% | 0.446 | S | S | . | . | trans | -86.8 | 113.9 | 173.7 | -95.5 | 0 | 0 | 0 | 0 | 110.6 | A58 S59 | C56-A58 PolarHBondContact O-N 3.12Å; C56-S59 WeakPolarHBondContact O-CA 3.34Å; C56-S59 WeakPolarHBondContact O-CB 3.46Å; C56-S59 PolarHBondContact O-N 2.97Å; C56-S59 PolarHBondContact O-OG 3.42Å | ||
| 57 | S | 42.6 | Very low | 49.2 | Very low | 99 Ų | 99 | 77.9 Ų | 77.9 | 69% | 0.692 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -58.9 | -17.9 | 168.9 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | S59 | S57-S59 VanDerWaalsContact C-N 3.27Š|
| 58 | A | 45.4 | Very low | 49.8 | Very low | 29 Ų | 29 | 73.8 Ų | 73.8 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -78.7 | -2.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C56 | C56-A58 PolarHBondContact O-N 3.12Š|
| 59 | S | 51.6 | Low | 50.4 | Low | 22 Ų | 22 | 72.4 Ų | 72.4 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -93.9 | 2.8 | -175.9 | 82.7 | 0 | 0 | 0 | 0 | 114.2 | D53 C56 S57 R74 | D53-S59 PolarHBondContact O-OG 2.85Å; C56-S59 WeakPolarHBondContact O-CA 3.34Å; C56-S59 WeakPolarHBondContact O-CB 3.46Å; C56-S59 PolarHBondContact O-N 2.97Å; C56-S59 PolarHBondContact O-OG 3.42Å; S57-S59 VanDerWaalsContact C-N 3.27Å; S59-R74 PolarHBondContact O-NH1 3.39Å |
| 60 | E | 65.7 | Low | 51.6 | Low | 91 Ų | 91 | 69 Ų | 69 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -74.8 | 145.4 | -178.6 | -67.5 | 179.9 | 164.5 | 0 | 0 | 112.6 | T62 R363 | E60-T62 PolarHBondContact O-N 3.18Å; E60-R363 HydrophobicContact CB-CB 4.44Å; E60-R363 WeakPolarHBondContact OE2-CB 3.26Å; E60-R363 WeakPolarHBondContact OE2-CD 3.26Å |
| 61 | A | 63.1 | Low | 52.7 | Low | 35 Ų | 35 | 66.5 Ų | 66.5 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | trans | -63.5 | 131.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V63 E66 P362 | A61-V63 WeakPolarHBondContact CB-O 3.42Å; A61-E66 WeakPolarHBondContact CA-OE2 3.46Å; A61-E66 HydrophobicContact CB-CB 4.33Å; A61-E66 WeakPolarHBondContact CB-OE2 3.34Å; A61-P362 WeakPolarHBondContact O-CD 3.23Å | ||
| 62 | T | 66.2 | Low | 53.8 | Low | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -77.7 | -30.7 | 176.1 | -54 | 0 | 0 | 0 | 0 | 111.7 | E60 R74 L75 V193 Y200 P361 P362 | E60-T62 PolarHBondContact O-N 3.18Å; T62-R74 VanDerWaalsContact OG1-CG 3.26Å; T62-R74 WeakPolarHBondContact OG1-CG 3.43Å; T62-L75 HydrophobicContact CG2-CB 4.01Å; T62-L75 HydrophobicContact CG2-CD1 4.05Å; T62-L75 HydrophobicContact CG2-CG 4.08Å; T62-L75 PolarHBondContact OG1-N 3.42Å; T62-L75 VanDerWaalsContact OG1-N 3.14Å; T62-V193 HydrophobicContact CG2-CG2 4.3Å; T62-Y200 HydrophobicContact CG2-CD1 4.3Å; T62-Y200 HydrophobicContact CG2-CE1 3.5Å; T62-Y200 VanDerWaalsContact CG2-CE1 3.5Å; T62-P361 WeakPolarHBondContact O-CA 3.09Å; T62-P362 WeakPolarHBondContact O-CD 3.46Å |
| 63 | V | 64.7 | Low | 55.2 | Low | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.055 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -126.6 | 155.9 | 177.4 | -67.4 | 0 | 0 | 0 | 0 | 109.7 | A61 E66 D70 Y200 | A61-V63 WeakPolarHBondContact CB-O 3.42Å; V63-E66 HydrophobicContact CG2-CB 4.03Å; V63-E66 HydrophobicContact CG2-CG 3.91Å; V63-D70 HydrophobicContact CG2-CB 4.09Å; V63-Y200 HydrophobicContact CG1-CE1 4.24Å |
| 64 | E | 63.2 | Low | 57.1 | Low | 39 Ų | 39 | 56 Ų | 56 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 150.6 | 172.7 | -73.7 | 177 | 173.6 | 0 | 0 | 112.2 | E66 R358 P362 R365 R750 | E64-E66 PolarHBondContact O-N 3.1Å; E64-R358 IonicContact OE1-CZ 2.71Å; E64-R358 IonicContact OE1-NE 3.65Å; E64-R358 IonicContact OE1-NH1 3.83Å; E64-R358 PolarHBondContact OE1-NH1 2.99Å; E64-R358 WeakPolarHBondContact OE2-CD 3.15Å; E64-R358 IonicContact OE2-CZ 2.64Å; E64-R358 IonicContact OE2-NE 2.78Å; E64-R358 PolarHBondContact OE2-NE 3Å; E64-R358 IonicContact OE2-NH1 2.94Å; E64-R358 PolarHBondContact OE2-NH1 2.81Å; E64-R358 IonicContact OE2-NH2 3.59Å; E64-P362 HydrophobicContact CG-CG 4.02Å; E64-R365 VanDerWaalsContact CD-NH1 3.26Å; E64-R365 IonicContact OE1-CZ 3.49Å; E64-R365 IonicContact OE1-NH1 2.85Å; E64-R365 PolarHBondContact OE1-NH1 3.25Å; E64-R365 IonicContact OE1-NH2 3.81Å; E64-R365 PolarHBondContact OE1-NH2 3.09Å; E64-R750 IonicContact OE2-NH2 3.75Å |
| 65 | A | 53.7 | Low | 59 | Low | 64 Ų | 64 | 46.7 Ų | 46.7 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 44.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110.7 | S67 A800 | A65-S67 PolarHBondContact O-N 3.28Å; A65-S67 VanDerWaalsContact O-N 3.1Å; A65-A800 HydrophobicContact CB-CB 4.5Å |
| 66 | E | 62 | Low | 61.4 | Low | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | trans | -57 | 113.9 | -175.9 | -169 | 177.5 | -173.5 | 0 | 0 | 110.4 | A61 V63 E64 D70 R71 R74 | A61-E66 WeakPolarHBondContact CA-OE2 3.46Å; A61-E66 HydrophobicContact CB-CB 4.33Å; A61-E66 WeakPolarHBondContact CB-OE2 3.34Å; V63-E66 HydrophobicContact CG2-CB 4.03Å; V63-E66 HydrophobicContact CG2-CG 3.91Å; E64-E66 PolarHBondContact O-N 3.1Å; E66-D70 HydrophobicContact CB-CB 4.38Å; E66-D70 HydrophobicContact CG-CB 3.36Å; E66-R71 HydrophobicContact CG-CG 3.94Å; E66-R71 VanDerWaalsContact OE1-CA 3.31Å; E66-R71 WeakPolarHBondContact OE1-CA 3.32Å; E66-R71 PolarHBondContact OE1-N 3.32Å; E66-R74 IonicContact OE1-CZ 2.91Å; E66-R74 IonicContact OE1-NE 2.67Å; E66-R74 PolarHBondContact OE1-NE 3.23Å; E66-R74 IonicContact OE1-NH2 3.85Å; E66-R74 IonicContact OE2-CZ 2.85Å; E66-R74 VanDerWaalsContact OE2-CZ 3.22Å; E66-R74 IonicContact OE2-NE 3.75Å; E66-R74 PolarHBondContact OE2-NE 3.39Å; E66-R74 VanDerWaalsContact OE2-NE 3.1Å; E66-R74 IonicContact OE2-NH2 3.65Å; E66-R74 PolarHBondContact OE2-NH2 3.31Å | ||
| 67 | S | 54.5 | Low | 63.7 | Low | 40 Ų | 40 | 36.5 Ų | 36.5 | 28% | 0.28 | 22% | 0.216 | S | C | . | . | trans | -69.7 | 165.8 | 176.1 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | A65 V69 D70 R71 | A65-S67 PolarHBondContact O-N 3.28Å; A65-S67 VanDerWaalsContact O-N 3.1Å; S67-V69 PolarHBondContact O-N 3.4Å; S67-V69 PolarHBondContact OG-N 3.17Å; S67-D70 VanDerWaalsContact CB-OD2 3.29Å; S67-D70 WeakPolarHBondContact CB-OD2 3.46Å; S67-D70 PolarHBondContact N-OD2 3.39Å; S67-D70 WeakPolarHBondContact O-CA 3.5Å; S67-D70 WeakPolarHBondContact O-CB 3.4Å; S67-D70 PolarHBondContact O-N 3.37Å; S67-D70 PolarHBondContact OG-N 3.33Å; S67-D70 VanDerWaalsContact OG-N 3.12Å; S67-D70 PolarHBondContact OG-OD2 3.16Å; S67-R71 PolarHBondContact O-N 2.89Å; S67-R71 VanDerWaalsContact O-N 3.15Å | ||
| 68 | L | 55 | Low | 65.7 | Low | 59 Ų | 59 | 35.4 Ų | 35.4 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.3 | -32.1 | 174.1 | -68.1 | 171.6 | 0 | 0 | 0 | 112.5 | L50 | L50-L68 HydrophobicContact CD1-CD2 4.41Å; L50-L68 HydrophobicContact CD2-CD2 4.44Å |
| 69 | V | 59.1 | Low | 67.5 | Low | 45 Ų | 45 | 36.8 Ų | 36.8 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -75 | -29.3 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | S67 R195 | S67-V69 PolarHBondContact O-N 3.4Å; S67-V69 PolarHBondContact OG-N 3.17Å; V69-R195 PolarHBondContact O-NH1 3.12Å |
| 70 | D | 66.2 | Low | 69 | Low | 30 Ų | 30 | 37.1 Ų | 37.1 | 16% | 0.16 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.8 | -39.3 | 175.1 | -66.5 | -50.8 | 0 | 0 | 0 | 112.1 | V63 E66 S67 L72 W73 R74 R195 | V63-D70 HydrophobicContact CG2-CB 4.09Å; E66-D70 HydrophobicContact CB-CB 4.38Å; E66-D70 HydrophobicContact CG-CB 3.36Å; S67-D70 VanDerWaalsContact CB-OD2 3.29Å; S67-D70 WeakPolarHBondContact CB-OD2 3.46Å; S67-D70 PolarHBondContact N-OD2 3.39Å; S67-D70 WeakPolarHBondContact O-CA 3.5Å; S67-D70 WeakPolarHBondContact O-CB 3.4Å; S67-D70 PolarHBondContact O-N 3.37Å; S67-D70 PolarHBondContact OG-N 3.33Å; S67-D70 VanDerWaalsContact OG-N 3.12Å; S67-D70 PolarHBondContact OG-OD2 3.16Å; D70-L72 VanDerWaalsContact C-N 3.25Å; D70-L72 PolarHBondContact O-N 3.5Å; D70-W73 PolarHBondContact O-N 3.05Å; D70-W73 VanDerWaalsContact O-N 3.08Å; D70-R74 PolarHBondContact O-N 3.47Å; D70-R195 VanDerWaalsContact CA-NH1 3.31Å; D70-R195 PolarHBondContact O-NH1 3.49Å; D70-R195 IonicContact OD1-NH1 2.87Å |
| 71 | R | 67.3 | Low | 69.5 | Low | 43 Ų | 43 | 37.4 Ų | 37.4 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -32.2 | 179.4 | -64.2 | -175.8 | -167.7 | 179.8 | 6.2 | 113.6 | L45 L50 E66 S67 W73 R74 Q797 | L45-R71 HydrophobicContact CD2-CB 4.28Å; L50-R71 PolarHBondContact O-NH1 2.91Å; E66-R71 HydrophobicContact CG-CG 3.94Å; E66-R71 VanDerWaalsContact OE1-CA 3.31Å; E66-R71 WeakPolarHBondContact OE1-CA 3.32Å; E66-R71 PolarHBondContact OE1-N 3.32Å; S67-R71 PolarHBondContact O-N 2.89Å; S67-R71 VanDerWaalsContact O-N 3.15Å; R71-W73 PolarHBondContact O-N 3.32Å; R71-W73 VanDerWaalsContact O-N 3.13Å; R71-R74 WeakPolarHBondContact O-CB 3.3Å; R71-R74 PolarHBondContact O-N 2.72Å; R71-Q797 VanDerWaalsContact NH2-OE1 3.13Å |
| 72 | L | 63.4 | Low | 70.5 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.5 | 177.7 | -72.6 | 167.2 | 0 | 0 | 0 | 113.5 | P42 L45 D70 F280 | P42-L72 WeakPolarHBondContact CB-O 3.42Å; L45-L72 HydrophobicContact CD1-CD2 3.6Å; L45-L72 HydrophobicContact CD1-CG 4.3Å; D70-L72 VanDerWaalsContact C-N 3.25Å; D70-L72 PolarHBondContact O-N 3.5Å; L72-F280 HydrophobicContact CD1-CD2 4.11Å; L72-F280 HydrophobicContact CD1-CE2 4.32Å |
| 73 | W | 69.7 | Low | 71.4 | Confident | 23 Ų | 23 | 43.5 Ų | 43.5 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 10.6 | -177.1 | -56.9 | 72.9 | 0 | 0 | 0 | 112.3 | D70 R71 L75 R195 R198 Y200 G232 F280 | D70-W73 PolarHBondContact O-N 3.05Å; D70-W73 VanDerWaalsContact O-N 3.08Å; R71-W73 PolarHBondContact O-N 3.32Å; R71-W73 VanDerWaalsContact O-N 3.13Å; W73-L75 PolarHBondContact O-N 2.99Å; W73-R195 VanDerWaalsContact CB-NH1 3.25Å; W73-R195 VanDerWaalsContact NE1-NH2 3.13Å; W73-R198 WeakPolarHBondContact CH2-O 3.36Å; W73-R198 WeakPolarHBondContact CZ2-O 3.08Å; W73-R198 WeakPolarHBondContact CZ3-O 3.41Å; W73-Y200 HydrophobicContact CB-CD2 4.42Å; W73-Y200 HydrophobicContact CB-CE2 3.93Å; W73-Y200 WeakPolarHBondContact O-CD2 3.32Å; W73-Y200 WeakPolarHBondContact O-CE2 3.47Å; W73-G232 VanDerWaalsContact CZ3-C 3.46Å; W73-G232 VanDerWaalsContact CZ3-CA 3.5Å; W73-G232 VanDerWaalsContact CZ3-O 3.31Å; W73-G232 WeakPolarHBondContact CZ3-O 3.45Å; W73-F280 HydrophobicContact CH2-CZ 4.43Å; W73-F280 HydrophobicContact CZ2-CE2 4.18Å; W73-F280 AromaticContact CZ2-CZ 3.69Å; W73-F280 HydrophobicContact CZ2-CZ 3.69Å |
| 74 | R | 75.4 | Confident | 72.6 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 6% | 0.057 | 24% | 0.236 | C | C | . | . | trans | -50.7 | 128.7 | -174.9 | -171.5 | 180 | -77.3 | -176.2 | -13.7 | 110.7 | P42 V43 L52 S59 T62 E66 D70 R71 N76 | P42-R74 WeakPolarHBondContact CA-O 3.41Å; V43-R74 HydrophobicContact CG2-CB 4.49Å; V43-R74 HydrophobicContact CG2-CG 4.46Å; V43-R74 PolarHBondContact N-O 3.45Å; V43-R74 VanDerWaalsContact N-O 3.15Å; L52-R74 VanDerWaalsContact CD2-NH1 3.29Å; S59-R74 PolarHBondContact O-NH1 3.39Å; T62-R74 VanDerWaalsContact OG1-CG 3.26Å; T62-R74 WeakPolarHBondContact OG1-CG 3.43Å; E66-R74 IonicContact OE1-CZ 2.91Å; E66-R74 IonicContact OE1-NE 2.67Å; E66-R74 PolarHBondContact OE1-NE 3.23Å; E66-R74 IonicContact OE1-NH2 3.85Å; E66-R74 IonicContact OE2-CZ 2.85Å; E66-R74 VanDerWaalsContact OE2-CZ 3.22Å; E66-R74 IonicContact OE2-NE 3.75Å; E66-R74 PolarHBondContact OE2-NE 3.39Å; E66-R74 VanDerWaalsContact OE2-NE 3.1Å; E66-R74 IonicContact OE2-NH2 3.65Å; E66-R74 PolarHBondContact OE2-NH2 3.31Å; D70-R74 PolarHBondContact O-N 3.47Å; R71-R74 WeakPolarHBondContact O-CB 3.3Å; R71-R74 PolarHBondContact O-N 2.72Å; R74-N76 PolarHBondContact O-N 2.85Å | ||
| 75 | L | 81.5 | Confident | 73.9 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | trans | -75.2 | 124 | -179.8 | -68.3 | -178.7 | 0 | 0 | 0 | 109.6 | I38 T62 W73 I77 V193 Y200 I230 | I38-L75 HydrophobicContact CG2-CD2 4.37Å; T62-L75 HydrophobicContact CG2-CB 4.01Å; T62-L75 HydrophobicContact CG2-CD1 4.05Å; T62-L75 HydrophobicContact CG2-CG 4.08Å; T62-L75 PolarHBondContact OG1-N 3.42Å; T62-L75 VanDerWaalsContact OG1-N 3.14Å; W73-L75 PolarHBondContact O-N 2.99Å; L75-I77 HydrophobicContact CB-CD1 4.19Å; L75-I77 HydrophobicContact CB-CG1 3.88Å; L75-I77 HydrophobicContact CD1-CD1 4.41Å; L75-I77 PolarHBondContact O-N 3.44Å; L75-I77 VanDerWaalsContact O-N 3.16Å; L75-V193 HydrophobicContact CD1-CB 4.37Å; L75-V193 HydrophobicContact CD1-CG1 4.12Å; L75-Y200 HydrophobicContact CD1-CD1 3.68Å; L75-Y200 HydrophobicContact CD1-CD2 4.24Å; L75-Y200 HydrophobicContact CD1-CE1 4.27Å; L75-Y200 HydrophobicContact CD1-CG 3.65Å; L75-Y200 HydrophobicContact CD2-CD2 3.78Å; L75-Y200 HydrophobicContact CD2-CE2 4.49Å; L75-Y200 HydrophobicContact CD2-CG 3.89Å; L75-Y200 HydrophobicContact CG-CD1 4.01Å; L75-Y200 HydrophobicContact CG-CD2 3.71Å; L75-Y200 HydrophobicContact CG-CE1 4.34Å; L75-Y200 HydrophobicContact CG-CE2 4.09Å; L75-Y200 HydrophobicContact CG-CG 3.67Å; L75-I230 HydrophobicContact CD1-CD1 4.25Å; L75-I230 HydrophobicContact CD2-CD1 4.47Å; L75-I230 HydrophobicContact CD2-CG2 4.04Å | ||
| 76 | N | 83.2 | Confident | 75.5 | Confident | 38 Ų | 38 | 47 Ų | 47 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | trans | -80.9 | 94.1 | 167.3 | -170.3 | 2.5 | 0 | 0 | 0 | 109.2 | A39 V43 R74 I78 | A39-N76 HydrophobicContact CB-CB 3.92Å; A39-N76 PolarHBondContact N-O 3.14Å; V43-N76 HydrophobicContact CG2-CB 3.69Å; R74-N76 PolarHBondContact O-N 2.85Å; N76-I78 WeakPolarHBondContact OD1-CG1 3.16Å | ||
| 77 | I | 85.4 | Confident | 76.8 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.6 | 176 | -53.1 | 172.4 | 0 | 0 | 0 | 107.8 | L36 K37 I38 L75 P361 R363 F364 | L36-I77 HydrophobicContact CD1-CG2 3.69Å; L36-I77 HydrophobicContact CD2-CG2 3.77Å; L36-I77 HydrophobicContact CG-CG2 3.78Å; K37-I77 CarbonylContact O-C 3.59Å; K37-I77 WeakPolarHBondContact O-CA 3.5Å; I38-I77 HydrophobicContact CG1-CG1 4.27Å; I38-I77 HydrophobicContact CG1-CG2 4.3Å; I38-I77 HydrophobicContact CG2-CG1 4.32Å; L75-I77 HydrophobicContact CB-CD1 4.19Å; L75-I77 HydrophobicContact CB-CG1 3.88Å; L75-I77 HydrophobicContact CD1-CD1 4.41Å; L75-I77 PolarHBondContact O-N 3.44Å; L75-I77 VanDerWaalsContact O-N 3.16Å; I77-P361 HydrophobicContact CD1-CG 4.28Å; I77-R363 VanDerWaalsContact O-CZ 3.23Å; I77-R363 PolarHBondContact O-NH1 3.24Å; I77-R363 PolarHBondContact O-NH2 3.18Å; I77-F364 HydrophobicContact CB-CE2 4.34Å; I77-F364 HydrophobicContact CD1-CE2 4.11Å; I77-F364 HydrophobicContact CG2-CE2 3.81Å; I77-F364 HydrophobicContact CG2-CZ 3.77Å |
| 78 | I | 84 | Confident | 78.5 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 40% | 0.395 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 115.6 | -178.8 | -56.7 | 169.6 | 0 | 0 | 0 | 107.4 | K37 N76 | K37-I78 HydrophobicContact CB-CB 4.4Å; K37-I78 PolarHBondContact N-O 3.12Å; K37-I78 PolarHBondContact O-N 3.29Å; N76-I78 WeakPolarHBondContact OD1-CG1 3.16Å |
| 79 | E | 82.5 | Confident | 80.2 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.2 | 173.4 | -178.5 | 171.6 | -163 | 0 | 0 | 109.5 | R34 L36 W382 | R34-E79 IonicContact NH1-OE1 3.75Å; R34-E79 PolarHBondContact NH1-OE1 3.36Å; L36-E79 HydrophobicContact CD1-CB 4.47Å; E79-W382 VanDerWaalsContact CD-NE1 3.29Å; E79-W382 PolarHBondContact OE1-NE1 2.85Å |
| 80 | D | 82.5 | Confident | 81.6 | Confident | 29 Ų | 29 | 49 Ų | 49 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | trans | -82.5 | 119.8 | 169.3 | -162.3 | -41.6 | 0 | 0 | 0 | 109.2 | I35 H82 Y84 F130 | I35-D80 HydrophobicContact CB-CB 4.37Å; I35-D80 WeakPolarHBondContact O-CB 3.39Å; I35-D80 PolarHBondContact O-N 3.26Å; D80-H82 PolarHBondContact O-N 2.97Å; D80-H82 WeakPolarHBondContact OD1-CB 3.3Å; D80-H82 PolarHBondContact OD1-N 3.43Å; D80-Y84 VanDerWaalsContact CG-OH 3.27Å; D80-Y84 PolarHBondContact OD1-OH 2.98Å; D80-Y84 PolarHBondContact OD2-OH 3.39Å; D80-F130 WeakPolarHBondContact OD2-CE1 3.43Å | ||
| 81 | P | 78 | Confident | 82.7 | Confident | 97 Ų | 97 | 55 Ų | 55 | 63% | 0.63 | 28% | 0.281 | S | S | * | . | trans | -70.2 | -13.9 | -178.4 | 29.3 | -35.9 | 0 | 0 | 0 | 113.3 | ||||
| 82 | H | 82.3 | Confident | 83.7 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 44% | 0.44 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 144.4 | -174.3 | -163.6 | 82.8 | 0 | 0 | 0 | 112.8 | D80 Y84 | D80-H82 PolarHBondContact O-N 2.97Å; D80-H82 WeakPolarHBondContact OD1-CB 3.3Å; D80-H82 PolarHBondContact OD1-N 3.43Å; H82-Y84 HydrophobicContact CB-CE1 4.18Å; H82-Y84 HydrophobicContact CB-CE2 4.17Å; H82-Y84 AromaticContact CD2-CD1 3.38Å; H82-Y84 WeakPolarHBondContact CD2-CD1 3.27Å; H82-Y84 AromaticContact CD2-CE1 3.17Å; H82-Y84 WeakPolarHBondContact CD2-CE1 3.47Å; H82-Y84 AromaticContact CD2-CG 3.99Å; H82-Y84 AromaticContact CD2-CZ 3.67Å; H82-Y84 AromaticContact CG-CE1 3.93Å |
| 83 | I | 85.9 | Confident | 84.8 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 118.3 | 172.8 | -61.7 | 174.1 | 0 | 0 | 0 | 108.1 | Y32 F33 R34 | Y32-I83 HydrophobicContact CD1-CG2 4.02Å; Y32-I83 HydrophobicContact CG-CG2 4.33Å; F33-I83 CarbonylContact O-C 3.58Å; F33-I83 WeakPolarHBondContact O-CA 3.26Å; R34-I83 HydrophobicContact CG-CG1 4.15Å |
| 84 | Y | 89 | Confident | 85.5 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 142.5 | -177.4 | -60 | -74.2 | 0 | 0 | 0 | 112 | F33 I35 D80 H82 E88 I92 F130 | F33-Y84 PolarHBondContact N-O 3Å; F33-Y84 PolarHBondContact O-N 3.09Å; I35-Y84 HydrophobicContact CD1-CD2 3.96Å; I35-Y84 HydrophobicContact CD1-CE2 3.76Å; I35-Y84 HydrophobicContact CG1-CD2 4.04Å; I35-Y84 HydrophobicContact CG1-CE2 3.98Å; D80-Y84 VanDerWaalsContact CG-OH 3.27Å; D80-Y84 PolarHBondContact OD1-OH 2.98Å; D80-Y84 PolarHBondContact OD2-OH 3.39Å; H82-Y84 HydrophobicContact CB-CE1 4.18Å; H82-Y84 HydrophobicContact CB-CE2 4.17Å; H82-Y84 AromaticContact CD2-CD1 3.38Å; H82-Y84 WeakPolarHBondContact CD2-CD1 3.27Å; H82-Y84 AromaticContact CD2-CE1 3.17Å; H82-Y84 WeakPolarHBondContact CD2-CE1 3.47Å; H82-Y84 AromaticContact CD2-CG 3.99Å; H82-Y84 AromaticContact CD2-CZ 3.67Å; H82-Y84 AromaticContact CG-CE1 3.93Å; Y84-E88 HydrophobicContact CD1-CB 3.99Å; Y84-I92 HydrophobicContact CD1-CD1 3.33Å; Y84-I92 HydrophobicContact CD2-CD1 4.4Å; Y84-I92 HydrophobicContact CE1-CD1 2.98Å; Y84-I92 HydrophobicContact CE1-CG1 4.47Å; Y84-I92 HydrophobicContact CE2-CD1 4.11Å; Y84-I92 HydrophobicContact CG-CD1 4.04Å; Y84-I92 VanDerWaalsContact CZ-CD1 3.4Å; Y84-F130 WeakPolarHBondContact OH-CE1 3.41Å |
| 85 | S | 90.7 | Very high | 85.9 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 164.8 | 158.7 | 67 | 0 | 0 | 0 | 0 | 111 | S87 E88 L89 | S85-S87 VanDerWaalsContact C-N 3.27Å; S85-S87 PolarHBondContact O-N 2.98Å; S85-S87 PolarHBondContact OG-OG 3.27Å; S85-E88 VanDerWaalsContact CB-OE2 3.3Å; S85-E88 WeakPolarHBondContact CB-OE2 2.99Å; S85-E88 PolarHBondContact N-OE2 2.84Å; S85-E88 PolarHBondContact O-N 3.3Å; S85-E88 VanDerWaalsContact OG-CG 3.3Å; S85-E88 WeakPolarHBondContact OG-CG 3.12Å; S85-E88 PolarHBondContact OG-N 3.28Å; S85-E88 PolarHBondContact OG-OE2 3.15Å; S85-L89 WeakPolarHBondContact O-CB 3.22Å; S85-L89 PolarHBondContact O-N 3.1Å |
| 86 | K | 88.4 | Confident | 86 | Confident | 135 Ų | 135 | 60.6 Ų | 60.6 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.9 | -38.7 | 178.2 | -166.4 | 173.1 | -177.3 | 168 | 0 | 113.4 | F33 A90 | F33-K86 HydrophobicContact CE2-CB 3.81Å; F33-K86 HydrophobicContact CE2-CG 4.12Å; F33-K86 HydrophobicContact CZ-CG 4.35Å; K86-A90 WeakPolarHBondContact O-CB 3.42Å; K86-A90 PolarHBondContact O-N 2.74Å; K86-A90 VanDerWaalsContact O-N 3.12Å |
| 87 | S | 89 | Confident | 85.9 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -76.2 | -33.6 | -178.9 | 63 | 0 | 0 | 0 | 0 | 112.6 | S85 R91 | S85-S87 VanDerWaalsContact C-N 3.27Å; S85-S87 PolarHBondContact O-N 2.98Å; S85-S87 PolarHBondContact OG-OG 3.27Å; S87-R91 PolarHBondContact O-N 3.44Å; S87-R91 PolarHBondContact O-NE 3.26Å |
| 88 | E | 90.9 | Very high | 85.5 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 173.2 | -71.9 | 161.3 | 157.1 | 0 | 0 | 111.4 | Y84 S85 A90 R91 I92 | Y84-E88 HydrophobicContact CD1-CB 3.99Å; S85-E88 VanDerWaalsContact CB-OE2 3.3Å; S85-E88 WeakPolarHBondContact CB-OE2 2.99Å; S85-E88 PolarHBondContact N-OE2 2.84Å; S85-E88 PolarHBondContact O-N 3.3Å; S85-E88 VanDerWaalsContact OG-CG 3.3Å; S85-E88 WeakPolarHBondContact OG-CG 3.12Å; S85-E88 PolarHBondContact OG-N 3.28Å; S85-E88 PolarHBondContact OG-OE2 3.15Å; E88-A90 VanDerWaalsContact C-N 3.3Å; E88-A90 PolarHBondContact O-N 3.33Å; E88-R91 WeakPolarHBondContact O-CB 3.22Å; E88-R91 PolarHBondContact O-N 2.83Å; E88-R91 VanDerWaalsContact O-N 3.15Å; E88-I92 WeakPolarHBondContact O-CG1 3.34Å; E88-I92 PolarHBondContact O-N 2.7Å |
| 89 | L | 89.2 | Confident | 84.9 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 175.2 | 176.4 | 67 | 0 | 0 | 0 | 111.1 | V24 F33 I35 S85 R91 I92 L93 | V24-L89 HydrophobicContact CG1-CD1 3.74Å; V24-L89 HydrophobicContact CG1-CD2 3.59Å; V24-L89 HydrophobicContact CG1-CG 4.32Å; V24-L89 HydrophobicContact CG2-CD1 4.38Å; F33-L89 HydrophobicContact CB-CD2 3.94Å; F33-L89 HydrophobicContact CD1-CD2 3.4Å; F33-L89 HydrophobicContact CD2-CB 4.46Å; F33-L89 HydrophobicContact CD2-CD2 3.99Å; F33-L89 HydrophobicContact CE1-CD2 3.77Å; F33-L89 HydrophobicContact CE2-CD2 4.34Å; F33-L89 HydrophobicContact CG-CB 4.49Å; F33-L89 HydrophobicContact CG-CD2 3.5Å; F33-L89 VanDerWaalsContact CG-CD2 3.5Å; F33-L89 HydrophobicContact CZ-CD2 4.22Å; I35-L89 HydrophobicContact CD1-CD1 3.8Å; I35-L89 HydrophobicContact CG1-CD1 4.18Å; S85-L89 WeakPolarHBondContact O-CB 3.22Å; S85-L89 PolarHBondContact O-N 3.1Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.11Å; L89-I92 PolarHBondContact O-N 2.83Å; L89-L93 HydrophobicContact CD1-CD1 4.08Å; L89-L93 HydrophobicContact CD1-CG 4.01Å; L89-L93 HydrophobicContact CD2-CD1 4.39Å; L89-L93 HydrophobicContact CG-CD1 3.92Å; L89-L93 HydrophobicContact CG-CG 4.25Å; L89-L93 WeakPolarHBondContact O-CG 3.49Å; L89-L93 PolarHBondContact O-N 3.16Å |
| 90 | A | 88.6 | Confident | 84.1 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 38% | 0.38 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K86 E88 I92 L93 H94 | K86-A90 WeakPolarHBondContact O-CB 3.42Å; K86-A90 PolarHBondContact O-N 2.74Å; K86-A90 VanDerWaalsContact O-N 3.12Å; E88-A90 VanDerWaalsContact C-N 3.3Å; E88-A90 PolarHBondContact O-N 3.33Å; A90-I92 PolarHBondContact O-N 2.79Å; A90-L93 PolarHBondContact O-N 3.42Å; A90-H94 WeakPolarHBondContact O-CB 3.28Å; A90-H94 PolarHBondContact O-CD2 3.1Å; A90-H94 PolarHBondContact O-N 3.06Å |
| 91 | R | 89.7 | Confident | 83.1 | Confident | 158 Ų | 158 | 62.1 Ų | 62.1 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 175 | -79.4 | -178.3 | -78.2 | 148.6 | -8.3 | 112.2 | S87 E88 L89 H94 A95 | S87-R91 PolarHBondContact O-N 3.44Å; S87-R91 PolarHBondContact O-NE 3.26Å; E88-R91 WeakPolarHBondContact O-CB 3.22Å; E88-R91 PolarHBondContact O-N 2.83Å; E88-R91 VanDerWaalsContact O-N 3.15Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.11Å; R91-H94 PolarHBondContact O-N 2.69Å; R91-A95 WeakPolarHBondContact O-CB 3.4Å; R91-A95 PolarHBondContact O-N 2.9Å |
| 92 | I | 87.5 | Confident | 81.9 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 179.2 | -70.6 | 168.6 | 0 | 0 | 0 | 111.4 | I35 Y84 E88 L89 A90 H94 A95 I96 | I35-I92 HydrophobicContact CD1-CG2 3.92Å; Y84-I92 HydrophobicContact CD1-CD1 3.33Å; Y84-I92 HydrophobicContact CD2-CD1 4.4Å; Y84-I92 HydrophobicContact CE1-CD1 2.98Å; Y84-I92 HydrophobicContact CE1-CG1 4.47Å; Y84-I92 HydrophobicContact CE2-CD1 4.11Å; Y84-I92 HydrophobicContact CG-CD1 4.04Å; Y84-I92 VanDerWaalsContact CZ-CD1 3.4Å; E88-I92 WeakPolarHBondContact O-CG1 3.34Å; E88-I92 PolarHBondContact O-N 2.7Å; L89-I92 PolarHBondContact O-N 2.83Å; A90-I92 PolarHBondContact O-N 2.79Å; I92-H94 VanDerWaalsContact C-N 3.28Å; I92-H94 PolarHBondContact O-N 3.42Å; I92-A95 WeakPolarHBondContact O-CB 3.43Å; I92-A95 PolarHBondContact O-N 3.44Å; I92-A95 VanDerWaalsContact O-N 3.1Å; I92-I96 HydrophobicContact CG2-CD1 3.73Å; I92-I96 HydrophobicContact CG2-CG1 4.32Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 3.01Å |
| 93 | L | 86.7 | Confident | 80.1 | Confident | 23 Ų | 23 | 67 Ų | 67 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 176.5 | -69 | 175.6 | 0 | 0 | 0 | 111.1 | Y15 V24 L89 A90 I96 Q97 L181 | Y15-L93 HydrophobicContact CD2-CD2 4.31Å; Y15-L93 HydrophobicContact CE1-CD1 4.36Å; Y15-L93 HydrophobicContact CE2-CD1 4.19Å; Y15-L93 HydrophobicContact CE2-CD2 4.3Å; Y15-L93 HydrophobicContact CG-CD2 4.48Å; V24-L93 HydrophobicContact CG2-CD2 4.45Å; L89-L93 HydrophobicContact CD1-CD1 4.08Å; L89-L93 HydrophobicContact CD1-CG 4.01Å; L89-L93 HydrophobicContact CD2-CD1 4.39Å; L89-L93 HydrophobicContact CG-CD1 3.92Å; L89-L93 HydrophobicContact CG-CG 4.25Å; L89-L93 WeakPolarHBondContact O-CG 3.49Å; L89-L93 PolarHBondContact O-N 3.16Å; A90-L93 PolarHBondContact O-N 3.42Å; L93-I96 PolarHBondContact O-N 2.98Å; L93-Q97 VanDerWaalsContact O-CB 3.26Å; L93-Q97 WeakPolarHBondContact O-CB 3.31Å; L93-Q97 PolarHBondContact O-N 3.34Å; L93-L181 HydrophobicContact CB-CD2 4.49Å; L93-L181 HydrophobicContact CD2-CD2 3.99Å |
| 94 | H | 85.1 | Confident | 77.7 | Confident | 125 Ų | 125 | 68.9 Ų | 68.9 | 58% | 0.579 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 171.8 | -89.6 | -67.3 | 0 | 0 | 0 | 112.6 | A90 R91 I92 Q97 A98 | A90-H94 WeakPolarHBondContact O-CB 3.28Å; A90-H94 PolarHBondContact O-CD2 3.1Å; A90-H94 PolarHBondContact O-N 3.06Å; R91-H94 PolarHBondContact O-N 2.69Å; I92-H94 VanDerWaalsContact C-N 3.28Å; I92-H94 PolarHBondContact O-N 3.42Å; H94-Q97 PolarHBondContact O-N 2.97Å; H94-A98 WeakPolarHBondContact O-CB 3.41Å; H94-A98 PolarHBondContact O-N 3.28Å |
| 95 | A | 84.8 | Confident | 75.1 | Confident | 53 Ų | 53 | 73.1 Ų | 73.1 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R91 I92 Q97 A98 T99 | R91-A95 WeakPolarHBondContact O-CB 3.4Å; R91-A95 PolarHBondContact O-N 2.9Å; I92-A95 WeakPolarHBondContact O-CB 3.43Å; I92-A95 PolarHBondContact O-N 3.44Å; I92-A95 VanDerWaalsContact O-N 3.1Å; A95-Q97 VanDerWaalsContact C-N 3.33Å; A95-Q97 PolarHBondContact O-N 3.36Å; A95-A98 PolarHBondContact O-N 3.42Å; A95-T99 WeakPolarHBondContact O-CB 3.43Å; A95-T99 VanDerWaalsContact O-CG2 3.31Å; A95-T99 WeakPolarHBondContact O-CG2 3.34Å; A95-T99 PolarHBondContact O-N 2.75Å; A95-T99 PolarHBondContact O-OG1 3.19Å |
| 96 | I | 82.8 | Confident | 72.2 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 174.3 | -66.6 | 167.2 | 0 | 0 | 0 | 110.1 | Y22 I92 L93 T99 S100 L181 | Y22-I96 HydrophobicContact CD1-CD1 4.2Å; Y22-I96 HydrophobicContact CE1-CD1 3.88Å; Y22-I96 HydrophobicContact CE2-CG2 3.88Å; I92-I96 HydrophobicContact CG2-CD1 3.73Å; I92-I96 HydrophobicContact CG2-CG1 4.32Å; I92-I96 VanDerWaalsContact O-CG1 3.31Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 3.01Å; L93-I96 PolarHBondContact O-N 2.98Å; I96-T99 WeakPolarHBondContact CA-OG1 3.45Å; I96-T99 PolarHBondContact O-OG1 3.1Å; I96-S100 WeakPolarHBondContact O-CB 3.5Å; I96-S100 PolarHBondContact O-N 3.31Å; I96-S100 PolarHBondContact O-OG 3.44Å; I96-L181 HydrophobicContact CB-CD2 4.41Å; I96-L181 HydrophobicContact CG2-CD1 3.95Å; I96-L181 HydrophobicContact CG2-CD2 4.08Å |
| 97 | Q | 81.3 | Confident | 69.2 | Low | 58 Ų | 58 | 80.3 Ų | 80.3 | 27% | 0.271 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 177.7 | -168.4 | -178.7 | 17.3 | 0 | 0 | 112.2 | L93 H94 A95 S100 R101 S180 L181 | L93-Q97 VanDerWaalsContact O-CB 3.26Å; L93-Q97 WeakPolarHBondContact O-CB 3.31Å; L93-Q97 PolarHBondContact O-N 3.34Å; H94-Q97 PolarHBondContact O-N 2.97Å; A95-Q97 VanDerWaalsContact C-N 3.33Å; A95-Q97 PolarHBondContact O-N 3.36Å; Q97-S100 PolarHBondContact O-OG 3.49Å; Q97-R101 WeakPolarHBondContact O-CG 3.25Å; Q97-S180 WeakPolarHBondContact O-CB 3.39Å; Q97-S180 PolarHBondContact O-OG 2.87Å; Q97-L181 HydrophobicContact CB-CB 4.14Å; Q97-L181 HydrophobicContact CG-CB 4.15Å |
| 98 | A | 76.8 | Confident | 66.3 | Low | 29 Ų | 29 | 81.5 Ų | 81.5 | 24% | 0.24 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H94 A95 S100 R101 H102 L164 | H94-A98 WeakPolarHBondContact O-CB 3.41Å; H94-A98 PolarHBondContact O-N 3.28Å; A95-A98 PolarHBondContact O-N 3.42Å; A98-S100 PolarHBondContact O-N 3.28Å; A98-R101 WeakPolarHBondContact O-CB 3.04Å; A98-R101 PolarHBondContact O-N 2.96Å; A98-H102 PolarHBondContact O-CD2 2.77Å; A98-L164 HydrophobicContact CB-CD2 4.45Å |
| 99 | T | 72.2 | Confident | 63.3 | Low | 54 Ų | 54 | 83.3 Ų | 83.3 | 33% | 0.331 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | -179.6 | 49 | 0 | 0 | 0 | 0 | 112.8 | A95 I96 R101 H102 F126 | A95-T99 WeakPolarHBondContact O-CB 3.43Å; A95-T99 VanDerWaalsContact O-CG2 3.31Å; A95-T99 WeakPolarHBondContact O-CG2 3.34Å; A95-T99 PolarHBondContact O-N 2.75Å; A95-T99 PolarHBondContact O-OG1 3.19Å; I96-T99 WeakPolarHBondContact CA-OG1 3.45Å; I96-T99 PolarHBondContact O-OG1 3.1Å; T99-R101 PolarHBondContact O-N 3.23Å; T99-H102 PolarHBondContact O-N 3.31Å; T99-F126 HydrophobicContact CG2-CZ 3.91Å |
| 100 | S | 65.8 | Low | 60.3 | Low | 17 Ų | 17 | 91.8 Ų | 91.8 | 12% | 0.119 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.2 | -21.3 | 177.6 | 44.5 | 0 | 0 | 0 | 0 | 113.2 | I96 Q97 A98 H102 S180 | I96-S100 WeakPolarHBondContact O-CB 3.5Å; I96-S100 PolarHBondContact O-N 3.31Å; I96-S100 PolarHBondContact O-OG 3.44Å; Q97-S100 PolarHBondContact O-OG 3.49Å; A98-S100 PolarHBondContact O-N 3.28Å; S100-H102 VanDerWaalsContact C-N 3.34Å; S100-S180 WeakPolarHBondContact CA-OG 3.22Å; S100-S180 WeakPolarHBondContact CB-OG 3.22Å; S100-S180 PolarHBondContact O-OG 3.18Å; S100-S180 VanDerWaalsContact OG-CB 3.23Å; S100-S180 WeakPolarHBondContact OG-CB 3Å; S100-S180 PolarHBondContact OG-O 2.83Å; S100-S180 PolarHBondContact OG-OG 3.23Å |
| 101 | R | 60 | Low | 57.4 | Low | 81 Ų | 81 | 93.1 Ų | 93.1 | 31% | 0.306 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.2 | -28 | 176.2 | -69.5 | 176.3 | -176.9 | -178.6 | -0.3 | 112.3 | Q97 A98 T99 F103 S180 | Q97-R101 WeakPolarHBondContact O-CG 3.25Å; A98-R101 WeakPolarHBondContact O-CB 3.04Å; A98-R101 PolarHBondContact O-N 2.96Å; T99-R101 PolarHBondContact O-N 3.23Å; R101-F103 VanDerWaalsContact C-N 3.26Å; R101-F103 PolarHBondContact O-N 3.15Å; R101-S180 WeakPolarHBondContact CG-OG 3.45Å; R101-S180 PolarHBondContact N-OG 3.47Å |
| 102 | H | 53 | Low | 54.2 | Low | 166 Ų | 166 | 93.5 Ų | 93.5 | 77% | 0.769 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -10.1 | -178.9 | -72.7 | -68.5 | 0 | 0 | 0 | 113.8 | A98 T99 S100 H104 | A98-H102 PolarHBondContact O-CD2 2.77Å; T99-H102 PolarHBondContact O-N 3.31Å; S100-H102 VanDerWaalsContact C-N 3.34Å; H102-H104 PolarHBondContact O-N 3.04Å |
| 103 | F | 45 | Very low | 51.3 | Low | 129 Ų | 129 | 99.1 Ų | 99.1 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1 | 178.8 | -89.6 | -79.4 | 0 | 0 | 0 | 114.6 | R101 P105 W123 | R101-F103 VanDerWaalsContact C-N 3.26Å; R101-F103 PolarHBondContact O-N 3.15Å; F103-P105 WeakPolarHBondContact O-CD 3.49Å; F103-W123 HydrophobicContact CE2-CH2 4.25Å; F103-W123 AromaticContact CE2-CZ2 3.72Å; F103-W123 HydrophobicContact CE2-CZ2 3.72Å; F103-W123 AromaticContact CZ-CH2 3.96Å; F103-W123 HydrophobicContact CZ-CH2 3.96Å; F103-W123 AromaticContact CZ-CZ2 3.34Å; F103-W123 HydrophobicContact CZ-CZ2 3.34Å |
| 104 | H | 35.4 | Very low | 48.3 | Very low | 112 Ų | 112 | 108.3 Ų | 108.3 | 52% | 0.519 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -92.9 | 112.8 | 177.4 | -136.1 | 31.1 | 0 | 0 | 0 | 110.1 | H102 Q106 E238 | H102-H104 PolarHBondContact O-N 3.04Å; H104-Q106 PolarHBondContact O-N 3.08Å; H104-Q106 VanDerWaalsContact O-N 3.14Å; H104-E238 IonicContact CE1-OE1 3.96Å; H104-E238 IonicContact CE1-OE2 3.19Å; H104-E238 PolarHBondContact CE1-OE2 3.17Å; H104-E238 IonicContact ND1-OE2 3.46Å; H104-E238 PolarHBondContact ND1-OE2 2.91Å |
| 105 | P | 33.6 | Very low | 45.5 | Very low | 100 Ų | 100 | 109.8 Ų | 109.8 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | trans | -67 | 116.1 | 179.5 | 27.7 | -31.2 | 0 | 0 | 0 | 108.3 | F103 T107 | F103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-T107 PolarHBondContact O-N 3.33Å | ||
| 106 | Q | 29.9 | Very low | 42.4 | Very low | 178 Ų | 178 | 115.8 Ų | 115.8 | 83% | 0.832 | 62% | 0.618 | S | S | * | * | trans | -63.3 | 110.5 | 173.2 | -67.6 | -162.2 | 4.7 | 0 | 0 | 108.5 | H104 S108 | H104-Q106 PolarHBondContact O-N 3.08Å; H104-Q106 VanDerWaalsContact O-N 3.14Å; Q106-S108 PolarHBondContact O-N 3.02Å | ||
| 107 | T | 27.1 | Very low | 39.7 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 90% | 0.902 | 66% | 0.655 | S | S | * | * | trans | -69.2 | 84.2 | 168 | 52.5 | 0 | 0 | 0 | 0 | 108.2 | P105 | P105-T107 PolarHBondContact O-N 3.33Š| ||
| 108 | S | 27.9 | Very low | 36.9 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -112.3 | 116.4 | 168.5 | 60.5 | 0 | 0 | 0 | 0 | 110 | Q106 | Q106-S108 PolarHBondContact O-N 3.02Š| ||
| 109 | S | 26 | Very low | 34.5 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | trans | -43.8 | 143.6 | 179.2 | 51.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 110 | H | 26.8 | Very low | 32.2 | Very low | 191 Ų | 191 | 131.8 Ų | 131.8 | 88% | 0.884 | 72% | 0.721 | S | S | * | * | trans | 63.6 | 94.6 | 147.1 | -71.1 | -45.9 | 0 | 0 | 0 | 119 | ||||
| 111 | G | 27.6 | Very low | 30.3 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -163.8 | 95.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | D113 | G111-D113 PolarHBondContact O-N 3Š| ||
| 112 | N | 23.8 | Very low | 28.6 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 95.1 | 171.8 | -85.8 | -16.5 | 0 | 0 | 0 | 108.3 | ||||
| 113 | D | 26.4 | Very low | 27.3 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -138.2 | 124.4 | 156.7 | -87.3 | -38 | 0 | 0 | 0 | 109.4 | G111 L115 | G111-D113 PolarHBondContact O-N 3Å; D113-L115 PolarHBondContact O-N 3.39Å | ||
| 114 | K | 23.7 | Very low | 26.5 | Very low | 216 Ų | 216 | 139.1 Ų | 139.1 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | trans | -57.2 | 100.8 | -179.6 | -71.4 | 173.9 | 174 | 178.2 | 0 | 109.4 | ||||
| 115 | L | 24.8 | Very low | 26.2 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -97.2 | 111.3 | 171.4 | -147.2 | 80.4 | 0 | 0 | 0 | 109.4 | D113 | D113-L115 PolarHBondContact O-N 3.39Š| ||
| 116 | E | 21.6 | Very low | 26 | Very low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -54.3 | 149.8 | 172.9 | -69.5 | 177.4 | 148 | 0 | 0 | 112.2 | S118 | E116-S118 PolarHBondContact O-N 3.38Š| ||
| 117 | A | 24.5 | Very low | 26 | Very low | 108 Ų | 108 | 140 Ų | 140 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -49.3 | 89 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | K119 | A117-K119 PolarHBondContact O-N 2.83Š| ||
| 118 | S | 23.8 | Very low | 26.4 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | -89.8 | 96.7 | 174.4 | 51.1 | 0 | 0 | 0 | 0 | 110.1 | E116 | E116-S118 PolarHBondContact O-N 3.38Š| ||
| 119 | K | 24.7 | Very low | 26.8 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | 25.3 | 108.4 | 140.9 | -63.4 | 175 | -178.1 | 171.7 | 0 | 115.6 | A117 | A117-K119 PolarHBondContact O-N 2.83Š| ||
| 120 | S | 24.6 | Very low | 27.2 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -27.5 | 129.7 | 164.1 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | K122 | S120-K122 PolarHBondContact O-N 2.71Š| ||
| 121 | P | 25.6 | Very low | 27.2 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | -68.6 | 109.6 | -174.8 | -3.7 | 16 | 0 | 0 | 0 | 109.5 | W123 | P121-W123 PolarHBondContact O-N 2.76Š| ||
| 122 | K | 25.2 | Very low | 27.3 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | -60.5 | 99.2 | 175.4 | -71.3 | -179 | 177.5 | -179.8 | 0 | 109.9 | S120 S124 | S120-K122 PolarHBondContact O-N 2.71Å; K122-S124 PolarHBondContact O-N 3.45Å | ||
| 123 | W | 25.5 | Very low | 27.4 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | trans | -71.1 | 37.6 | 173.5 | -110.4 | 31.2 | 0 | 0 | 0 | 113.5 | F103 P121 R125 | F103-W123 HydrophobicContact CE2-CH2 4.25Å; F103-W123 AromaticContact CE2-CZ2 3.72Å; F103-W123 HydrophobicContact CE2-CZ2 3.72Å; F103-W123 AromaticContact CZ-CH2 3.96Å; F103-W123 HydrophobicContact CZ-CH2 3.96Å; F103-W123 AromaticContact CZ-CZ2 3.34Å; F103-W123 HydrophobicContact CZ-CZ2 3.34Å; P121-W123 PolarHBondContact O-N 2.76Å; W123-R125 VanDerWaalsContact C-N 3.3Å; W123-R125 PolarHBondContact O-N 3.09Å | ||
| 124 | S | 28.7 | Very low | 27.3 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 57% | 0.566 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -1.9 | 178 | 58.9 | 0 | 0 | 0 | 0 | 114 | K122 T127 | K122-S124 PolarHBondContact O-N 3.45Å; S124-T127 PolarHBondContact O-OG1 3.18Å |
| 125 | R | 28.8 | Very low | 27.5 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -14.7 | 179.9 | -80.4 | -172.4 | -167.7 | 160.6 | 1.5 | 115.5 | W123 S128 | W123-R125 VanDerWaalsContact C-N 3.3Å; W123-R125 PolarHBondContact O-N 3.09Å; R125-S128 PolarHBondContact O-OG 3.2Å |
| 126 | F | 27.9 | Very low | 27.5 | Very low | 102 Ų | 102 | 143 Ų | 143 | 45% | 0.447 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -90.2 | -21.2 | 176.3 | -98.9 | -84.4 | 0 | 0 | 0 | 113.5 | T99 S128 L129 | T99-F126 HydrophobicContact CG2-CZ 3.91Å; F126-S128 PolarHBondContact O-N 3.43Å; F126-L129 HydrophobicContact CD1-CD1 3.66Å; F126-L129 HydrophobicContact CE1-CD1 3.51Å; F126-L129 HydrophobicContact CZ-CD1 4.35Å; F126-L129 PolarHBondContact O-N 3.13Å |
| 127 | T | 31 | Very low | 27.7 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 57% | 0.571 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -64.5 | -25.7 | 169.7 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | S124 L129 F130 S131 | S124-T127 PolarHBondContact O-OG1 3.18Å; T127-L129 VanDerWaalsContact C-N 3.35Å; T127-L129 PolarHBondContact O-N 3.22Å; T127-F130 CarbonylContact O-C 3.5Å; T127-F130 PolarHBondContact O-N 2.91Å; T127-F130 VanDerWaalsContact O-N 3.14Å; T127-S131 WeakPolarHBondContact O-CB 3.39Å; T127-S131 PolarHBondContact O-N 3.49Å |
| 128 | S | 36.1 | Very low | 27.7 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 52% | 0.524 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -72.6 | -21.3 | 176.6 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | R125 F126 F130 | R125-S128 PolarHBondContact O-OG 3.2Å; F126-S128 PolarHBondContact O-N 3.43Å; S128-F130 PolarHBondContact O-N 2.8Å |
| 129 | L | 34.7 | Very low | 27.8 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 65% | 0.654 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -69.3 | -21.2 | 169.8 | -83.6 | 166.7 | 0 | 0 | 0 | 112.2 | F126 T127 | F126-L129 HydrophobicContact CD1-CD1 3.66Å; F126-L129 HydrophobicContact CE1-CD1 3.51Å; F126-L129 HydrophobicContact CZ-CD1 4.35Å; F126-L129 PolarHBondContact O-N 3.13Å; T127-L129 VanDerWaalsContact C-N 3.35Å; T127-L129 PolarHBondContact O-N 3.22Å |
| 130 | F | 35.1 | Very low | 27.7 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 57% | 0.566 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -115.2 | -1.6 | 179.3 | -59.7 | -76.7 | 0 | 0 | 0 | 113.6 | D80 Y84 T127 S128 | D80-F130 WeakPolarHBondContact OD2-CE1 3.43Å; Y84-F130 WeakPolarHBondContact OH-CE1 3.41Å; T127-F130 CarbonylContact O-C 3.5Å; T127-F130 PolarHBondContact O-N 2.91Å; T127-F130 VanDerWaalsContact O-N 3.14Å; S128-F130 PolarHBondContact O-N 2.8Å |
| 131 | S | 27.7 | Very low | 27.6 | Very low | 66 Ų | 66 | 151 Ų | 151 | 46% | 0.462 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -112.4 | 118.1 | -179.3 | 159 | 0 | 0 | 0 | 0 | 110.3 | T127 | T127-S131 WeakPolarHBondContact O-CB 3.39Å; T127-S131 PolarHBondContact O-N 3.49Å |
| 132 | K | 28.2 | Very low | 27.4 | Very low | 190 Ų | 190 | 152.3 Ų | 152.3 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | trans | 75.9 | 75.2 | 170.7 | -62.8 | 179.4 | 176.9 | 178.7 | 0 | 116.2 | ||||
| 133 | R | 26.6 | Very low | 27.4 | Very low | 245 Ų | 245 | 151.3 Ų | 151.3 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | -110.5 | 90.9 | 129.5 | -85.1 | -172.6 | 177.7 | -172.7 | -0.8 | 108 | |||||
| 134 | R | 24.4 | Very low | 27.2 | Very low | 241 Ų | 241 | 151.6 Ų | 151.6 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -113.9 | 93.4 | 173.2 | -152.5 | -173.8 | -161.4 | -172.3 | 6.1 | 106.6 | ||||
| 135 | S | 27.5 | Very low | 27.1 | Very low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -165.9 | 122.1 | 159.7 | 45.2 | 0 | 0 | 0 | 0 | 107.1 | E137 | S135-E137 PolarHBondContact O-N 3.15Š|
| 136 | Q | 26 | Very low | 27 | Very low | 193 Ų | 193 | 149.8 Ų | 149.8 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -47 | 112.1 | -174.2 | -68.1 | 159.1 | -46.7 | 0 | 0 | 112.1 | H138 | Q136-H138 PolarHBondContact O-N 3.27Š| ||
| 137 | E | 24.2 | Very low | 26.8 | Very low | 178 Ų | 178 | 150.3 Ų | 150.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -82.6 | 90.2 | 164.6 | -76.3 | -178.1 | 178.8 | 0 | 0 | 108.2 | S135 | S135-E137 PolarHBondContact O-N 3.15Š| ||
| 138 | H | 26.1 | Very low | 26.6 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -71.7 | 135.5 | 151.3 | -107.9 | -66 | 0 | 0 | 0 | 108 | Q136 | Q136-H138 PolarHBondContact O-N 3.27Š| ||
| 139 | L | 24.3 | Very low | 26 | Very low | 163 Ų | 163 | 155.8 Ų | 155.8 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -42.1 | 145.1 | -177 | -100.6 | 77.1 | 0 | 0 | 0 | 114.6 | ||||
| 140 | P | 24.5 | Very low | 25.4 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -81.3 | 132.9 | -158.4 | 32.6 | -34.2 | 0 | 0 | 0 | 113.4 | ||||
| 141 | K | 21.2 | Very low | 24.9 | Very low | 212 Ų | 212 | 156.7 Ų | 156.7 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -106 | 123.3 | 151.2 | -82.6 | -175.5 | 175.9 | -179.1 | 0 | 108.1 | ||||
| 142 | I | 22.8 | Very low | 24.7 | Very low | 148 Ų | 148 | 160.8 Ų | 160.8 | 76% | 0.759 | 83% | 0.833 | S | S | * | * | trans | -75.6 | 126.2 | 177.4 | -63.2 | 162.3 | 0 | 0 | 0 | 107 | ||||
| 143 | D | 23.4 | Very low | 24.5 | Very low | 167 Ų | 167 | 159 Ų | 159 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -154.5 | 143.7 | 151.5 | -91.8 | -33.8 | 0 | 0 | 0 | 110.1 | ||||
| 144 | E | 23.1 | Very low | 24.4 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | trans | -87.4 | 159 | -158.7 | -66.4 | -179.1 | 149.3 | 0 | 0 | 114.7 | ||||
| 145 | T | 25.6 | Very low | 24.6 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | 69.8 | 112.4 | 153.5 | 59.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 146 | S | 26 | Very low | 24.7 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | 174 | 140.5 | 113.9 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 147 | S | 24.6 | Very low | 24.7 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -72.9 | 137.6 | -173.3 | 48.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 148 | I | 26.1 | Very low | 25.1 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | trans | -136.6 | 137 | 154.3 | -61 | -178.1 | 0 | 0 | 0 | 110.1 | ||||
| 149 | S | 25 | Very low | 25.6 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -75.7 | 148.8 | -158.8 | 47.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 150 | N | 21.8 | Very low | 26.2 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -58.4 | 139.2 | 173.4 | -66.3 | -32.5 | 0 | 0 | 0 | 114.6 | ||||
| 151 | S | 24.5 | Very low | 26.8 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -115 | 118.8 | 155.3 | 58.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 152 | N | 22.4 | Very low | 27.8 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -66 | 123.7 | -176.2 | -62.2 | -38.5 | 0 | 0 | 0 | 112.4 | ||||
| 153 | I | 24.9 | Very low | 28.7 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -129.4 | 114.5 | 150.4 | -63.5 | 179 | 0 | 0 | 0 | 106.2 | D155 | I153-D155 PolarHBondContact O-N 3.49Š| ||
| 154 | S | 25.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | -71 | 111.9 | 178.1 | 49.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 155 | D | 27.5 | Very low | 30.3 | Very low | 138 Ų | 138 | 127 Ų | 127 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | trans | -137.4 | 121.9 | 161.3 | -92.7 | -31.6 | 0 | 0 | 0 | 107.3 | I153 M157 | I153-D155 PolarHBondContact O-N 3.49Å; D155-M157 PolarHBondContact O-N 2.96Å | ||
| 156 | D | 29.1 | Very low | 31.1 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 95% | 0.947 | 72% | 0.721 | S | S | * | * | trans | -60.2 | 93.6 | -177.6 | -76.1 | -41.7 | 0 | 0 | 0 | 111.6 | ||||
| 157 | M | 27.2 | Very low | 31.9 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | trans | -108.5 | 132.1 | 158 | -83.6 | -73.7 | -74 | 0 | 0 | 107.4 | D155 S159 | D155-M157 PolarHBondContact O-N 2.96Å; M157-S159 PolarHBondContact O-N 3.42Å | ||
| 158 | P | 30.9 | Very low | 32.5 | Very low | 103 Ų | 103 | 120 Ų | 120 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -65.3 | 103.2 | 168.5 | 27.9 | -30.7 | 0 | 0 | 0 | 107 | N160 | P158-N160 VanDerWaalsContact C-N 3.26Å; P158-N160 PolarHBondContact O-N 2.83Å | ||
| 159 | S | 37.2 | Very low | 33.3 | Very low | 116 Ų | 116 | 113.8 Ų | 113.8 | 81% | 0.811 | 65% | 0.653 | S | S | * | * | trans | -85.5 | 9.7 | -159.6 | 50 | 0 | 0 | 0 | 0 | 113.9 | M157 | M157-S159 PolarHBondContact O-N 3.42Š| ||
| 160 | N | 37.8 | Very low | 34.3 | Very low | 70 Ų | 70 | 111.5 Ų | 111.5 | 37% | 0.374 | 64% | 0.638 | S | S | . | * | trans | -122.1 | 119.4 | -178.4 | -153.1 | -20.6 | 0 | 0 | 0 | 112.1 | P158 K162 D163 L164 | P158-N160 VanDerWaalsContact C-N 3.26Å; P158-N160 PolarHBondContact O-N 2.83Å; N160-K162 PolarHBondContact O-N 2.92Å; N160-K162 PolarHBondContact OD1-N 3.34Å; N160-D163 WeakPolarHBondContact CB-OD2 3.48Å; N160-D163 WeakPolarHBondContact O-CB 3.36Å; N160-D163 PolarHBondContact O-N 3.4Å; N160-L164 PolarHBondContact O-N 2.94Å | ||
| 161 | P | 37.2 | Very low | 35.2 | Very low | 96 Ų | 96 | 105.7 Ų | 105.7 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -56 | -21.1 | 171.1 | 19.5 | -30.8 | 0 | 0 | 0 | 113.2 | L164 Q165 | P161-L164 PolarHBondContact O-N 2.79Å; P161-Q165 PolarHBondContact O-N 3.16Å |
| 162 | K | 40.6 | Very low | 35.9 | Very low | 139 Ų | 139 | 106 Ų | 106 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.8 | -39.6 | 169.6 | -72.3 | -173.1 | 177 | -179.5 | 0 | 112.7 | N160 L164 Q165 Q166 | N160-K162 PolarHBondContact O-N 2.92Å; N160-K162 PolarHBondContact OD1-N 3.34Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 3.38Å; K162-Q165 CarbonylContact O-C 3.44Å; K162-Q165 WeakPolarHBondContact O-CB 3.33Å; K162-Q165 PolarHBondContact O-N 3.12Å; K162-Q166 VanDerWaalsContact O-CB 3.31Å; K162-Q166 WeakPolarHBondContact O-CB 3.33Å; K162-Q166 PolarHBondContact O-N 3.41Å |
| 163 | D | 41.7 | Very low | 36.8 | Very low | 74 Ų | 74 | 107.5 Ų | 107.5 | 40% | 0.396 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.8 | -34 | -179.9 | -57.7 | -21.5 | 0 | 0 | 0 | 110.5 | N160 Q166 A167 | N160-D163 WeakPolarHBondContact CB-OD2 3.48Å; N160-D163 WeakPolarHBondContact O-CB 3.36Å; N160-D163 PolarHBondContact O-N 3.4Å; D163-Q166 PolarHBondContact O-N 3.16Å; D163-A167 VanDerWaalsContact O-CB 3.29Å; D163-A167 WeakPolarHBondContact O-CB 3.32Å; D163-A167 PolarHBondContact O-N 3.41Å |
| 164 | L | 39.3 | Very low | 37.8 | Very low | 113 Ų | 113 | 105.3 Ų | 105.3 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.3 | -40.6 | 173.8 | -131.1 | 158.2 | 0 | 0 | 0 | 111.5 | A98 N160 P161 K162 A168 | A98-L164 HydrophobicContact CB-CD2 4.45Å; N160-L164 PolarHBondContact O-N 2.94Å; P161-L164 PolarHBondContact O-N 2.79Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 3.38Å; L164-A168 WeakPolarHBondContact O-CB 3.49Å; L164-A168 PolarHBondContact O-N 3.09Å |
| 165 | Q | 40.8 | Very low | 38.3 | Very low | 147 Ų | 147 | 103.2 Ų | 103.2 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.3 | -40.7 | 170.3 | -99.8 | 179.3 | -22.5 | 0 | 0 | 112 | P161 K162 A168 A169 | P161-Q165 PolarHBondContact O-N 3.16Å; K162-Q165 CarbonylContact O-C 3.44Å; K162-Q165 WeakPolarHBondContact O-CB 3.33Å; K162-Q165 PolarHBondContact O-N 3.12Å; Q165-A168 PolarHBondContact O-N 3.26Å; Q165-A169 WeakPolarHBondContact O-CB 3.42Å; Q165-A169 PolarHBondContact O-N 3.39Å |
| 166 | Q | 43.4 | Very low | 39 | Very low | 127 Ų | 127 | 101.9 Ų | 101.9 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.1 | -40.9 | -178.7 | -159.8 | 161.8 | 2.6 | 0 | 0 | 110.8 | K162 D163 A168 A169 S170 | K162-Q166 VanDerWaalsContact O-CB 3.31Å; K162-Q166 WeakPolarHBondContact O-CB 3.33Å; K162-Q166 PolarHBondContact O-N 3.41Å; D163-Q166 PolarHBondContact O-N 3.16Å; Q166-A168 VanDerWaalsContact C-N 3.32Å; Q166-A168 PolarHBondContact O-N 2.88Å; Q166-A169 PolarHBondContact O-N 2.98Å; Q166-S170 WeakPolarHBondContact O-CB 3.42Å; Q166-S170 PolarHBondContact O-N 3.2Å; Q166-S170 PolarHBondContact O-OG 3.09Å |
| 167 | A | 42.7 | Very low | 39.8 | Very low | 58 Ų | 58 | 96.1 Ų | 96.1 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.5 | -39.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D163 S170 A171 | D163-A167 VanDerWaalsContact O-CB 3.29Å; D163-A167 WeakPolarHBondContact O-CB 3.32Å; D163-A167 PolarHBondContact O-N 3.41Å; A167-S170 PolarHBondContact O-N 3.15Å; A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 2.8Å |
| 168 | A | 38.2 | Very low | 40.7 | Very low | 38 Ų | 38 | 94.5 Ų | 94.5 | 31% | 0.314 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.2 | -38.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L164 Q165 Q166 L172 | L164-A168 WeakPolarHBondContact O-CB 3.49Å; L164-A168 PolarHBondContact O-N 3.09Å; Q165-A168 PolarHBondContact O-N 3.26Å; Q166-A168 VanDerWaalsContact C-N 3.32Å; Q166-A168 PolarHBondContact O-N 2.88Å; A168-L172 WeakPolarHBondContact O-CG 3.15Å; A168-L172 PolarHBondContact O-N 2.8Å |
| 169 | A | 42.7 | Very low | 41.6 | Very low | 40 Ų | 40 | 99.1 Ų | 99.1 | 33% | 0.331 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.9 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q165 Q166 A171 L172 F173 | Q165-A169 WeakPolarHBondContact O-CB 3.42Å; Q165-A169 PolarHBondContact O-N 3.39Å; Q166-A169 PolarHBondContact O-N 2.98Å; A169-A171 VanDerWaalsContact C-N 3.29Å; A169-A171 PolarHBondContact O-N 3.47Å; A169-L172 WeakPolarHBondContact O-CA 3.37Å; A169-L172 WeakPolarHBondContact O-CB 3.5Å; A169-L172 PolarHBondContact O-N 2.91Å; A169-F173 WeakPolarHBondContact O-CD2 3.29Å; A169-F173 PolarHBondContact O-N 3.5Å |
| 170 | S | 44.9 | Very low | 43.1 | Very low | 64 Ų | 64 | 94 Ų | 94 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59 | -40 | 176.1 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | Q166 A167 L172 F173 T174 | Q166-S170 WeakPolarHBondContact O-CB 3.42Å; Q166-S170 PolarHBondContact O-N 3.2Å; Q166-S170 PolarHBondContact O-OG 3.09Å; A167-S170 PolarHBondContact O-N 3.15Å; S170-L172 VanDerWaalsContact C-N 3.27Å; S170-L172 PolarHBondContact O-N 3.42Å; S170-F173 PolarHBondContact O-N 3.48Å; S170-F173 VanDerWaalsContact O-N 3.12Å; S170-T174 PolarHBondContact O-N 2.85Å; S170-T174 PolarHBondContact O-OG1 2.81Å |
| 171 | A | 41.9 | Very low | 45.2 | Very low | 33 Ų | 33 | 91.5 Ų | 91.5 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.5 | -22 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A167 A169 | A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 2.8Å; A169-A171 VanDerWaalsContact C-N 3.29Å; A169-A171 PolarHBondContact O-N 3.47Å |
| 172 | L | 37.2 | Very low | 47.4 | Very low | 122 Ų | 122 | 89.3 Ų | 89.3 | 64% | 0.639 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75.2 | -35.2 | 169.8 | -72.5 | 165.3 | 0 | 0 | 0 | 111.2 | A168 A169 S170 | A168-L172 WeakPolarHBondContact O-CG 3.15Å; A168-L172 PolarHBondContact O-N 2.8Å; A169-L172 WeakPolarHBondContact O-CA 3.37Å; A169-L172 WeakPolarHBondContact O-CB 3.5Å; A169-L172 PolarHBondContact O-N 2.91Å; S170-L172 VanDerWaalsContact C-N 3.27Å; S170-L172 PolarHBondContact O-N 3.42Å |
| 173 | F | 42.8 | Very low | 49.7 | Very low | 186 Ų | 186 | 86.2 Ų | 86.2 | 82% | 0.816 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.9 | -29.9 | 179.8 | -79.9 | -73.6 | 0 | 0 | 0 | 113.8 | A169 S170 G175 | A169-F173 WeakPolarHBondContact O-CD2 3.29Å; A169-F173 PolarHBondContact O-N 3.5Å; S170-F173 PolarHBondContact O-N 3.48Å; S170-F173 VanDerWaalsContact O-N 3.12Å; F173-G175 VanDerWaalsContact C-N 3.27Å; F173-G175 PolarHBondContact O-N 3.01Å |
| 174 | T | 44.6 | Very low | 51.8 | Low | 107 Ų | 107 | 84.2 Ų | 84.2 | 66% | 0.656 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 5.8 | -176 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | S170 S176 | S170-T174 PolarHBondContact O-N 2.85Å; S170-T174 PolarHBondContact O-OG1 2.81Å; T174-S176 PolarHBondContact O-N 3.23Å |
| 175 | G | 36.1 | Very low | 54.4 | Low | 68 Ų | 68 | 80.4 Ų | 80.4 | 70% | 0.701 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 67.2 | -10 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117 | F173 S177 | F173-G175 VanDerWaalsContact C-N 3.27Å; F173-G175 PolarHBondContact O-N 3.01Å; G175-S177 PolarHBondContact O-N 3.42Å; G175-S177 VanDerWaalsContact O-N 3.15Å |
| 176 | S | 42 | Very low | 56.8 | Low | 110 Ų | 110 | 78.3 Ų | 78.3 | 77% | 0.769 | 45% | 0.446 | S | S | * | . | trans | -88.1 | 33.8 | -176.2 | -154.1 | 0 | 0 | 0 | 0 | 113.6 | T174 K178 | T174-S176 PolarHBondContact O-N 3.23Å; S176-K178 PolarHBondContact O-N 3.4Å; S176-K178 VanDerWaalsContact O-N 3.08Å | ||
| 177 | S | 45.6 | Very low | 59.2 | Low | 57 Ų | 57 | 72.3 Ų | 72.3 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | trans | -87.4 | 74 | -170 | -160.6 | 0 | 0 | 0 | 0 | 112.4 | G175 R179 | G175-S177 PolarHBondContact O-N 3.42Å; G175-S177 VanDerWaalsContact O-N 3.15Å; S177-R179 PolarHBondContact O-N 3.14Å | ||
| 178 | K | 47.9 | Very low | 61.7 | Low | 117 Ų | 117 | 73.8 Ų | 73.8 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | trans | -63.3 | 126.3 | 158.3 | -84.6 | -178.3 | 179.1 | 173.8 | 0 | 107.8 | S176 S180 L241 | S176-K178 PolarHBondContact O-N 3.4Å; S176-K178 VanDerWaalsContact O-N 3.08Å; K178-S180 PolarHBondContact O-N 3.44Å; K178-S180 VanDerWaalsContact O-N 3.13Å; K178-L241 WeakPolarHBondContact CE-O 3.46Å; K178-L241 PolarHBondContact NZ-O 2.78Å | ||
| 179 | R | 49.7 | Very low | 64.3 | Low | 199 Ų | 199 | 72 Ų | 72 | 75% | 0.751 | 40% | 0.397 | S | S | * | . | trans | -66 | 113.9 | -172.5 | -71.4 | 179.8 | 177.5 | 164 | -1.2 | 110.3 | S177 L181 V182 | S177-R179 PolarHBondContact O-N 3.14Å; R179-L181 PolarHBondContact O-N 3.39Å; R179-V182 HydrophobicContact CB-CG2 3.54Å | ||
| 180 | S | 68.8 | Low | 66.8 | Low | 8 Ų | 8 | 70.1 Ų | 70.1 | 6% | 0.056 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -68.2 | -30.7 | -175.8 | -145.3 | 0 | 0 | 0 | 0 | 115.4 | Q97 S100 R101 K178 | Q97-S180 WeakPolarHBondContact O-CB 3.39Å; Q97-S180 PolarHBondContact O-OG 2.87Å; S100-S180 WeakPolarHBondContact CA-OG 3.22Å; S100-S180 WeakPolarHBondContact CB-OG 3.22Å; S100-S180 PolarHBondContact O-OG 3.18Å; S100-S180 VanDerWaalsContact OG-CB 3.23Å; S100-S180 WeakPolarHBondContact OG-CB 3Å; S100-S180 PolarHBondContact OG-O 2.83Å; S100-S180 PolarHBondContact OG-OG 3.23Å; R101-S180 WeakPolarHBondContact CG-OG 3.45Å; R101-S180 PolarHBondContact N-OG 3.47Å; K178-S180 PolarHBondContact O-N 3.44Å; K178-S180 VanDerWaalsContact O-N 3.13Å |
| 181 | L | 81.1 | Confident | 69.1 | Low | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -141.5 | 122.3 | 176.7 | -172.2 | 71.8 | 0 | 0 | 0 | 107.4 | Y15 E16 Y22 L93 I96 Q97 R179 | Y15-L181 HydrophobicContact CD1-CD2 4.24Å; Y15-L181 HydrophobicContact CD1-CG 4.22Å; E16-L181 WeakPolarHBondContact O-CA 3.25Å; Y22-L181 HydrophobicContact CD2-CD1 4.02Å; Y22-L181 HydrophobicContact CE2-CD1 4.21Å; L93-L181 HydrophobicContact CB-CD2 4.49Å; L93-L181 HydrophobicContact CD2-CD2 3.99Å; I96-L181 HydrophobicContact CB-CD2 4.41Å; I96-L181 HydrophobicContact CG2-CD1 3.95Å; I96-L181 HydrophobicContact CG2-CD2 4.08Å; Q97-L181 HydrophobicContact CB-CB 4.14Å; Q97-L181 HydrophobicContact CG-CB 4.15Å; R179-L181 PolarHBondContact O-N 3.39Å |
| 182 | V | 83.7 | Confident | 71.5 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.6 | -176.6 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | Y15 E16 R179 V184 | Y15-V182 CarbonylContact C-O 3.53Å; Y15-V182 VanDerWaalsContact CA-O 3.28Å; Y15-V182 WeakPolarHBondContact CA-O 3.49Å; E16-V182 PolarHBondContact N-O 3.11Å; E16-V182 PolarHBondContact O-N 3.14Å; R179-V182 HydrophobicContact CB-CG2 3.54Å; V182-V184 HydrophobicContact CG1-CG2 4.38Å; V182-V184 PolarHBondContact O-N 2.94Å |
| 183 | L | 88.6 | Confident | 74 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 111 | 164.6 | 176.9 | 67.2 | 0 | 0 | 0 | 107.6 | Y15 | Y15-L183 HydrophobicContact CD1-CB 3.93Å; Y15-L183 HydrophobicContact CD1-CD1 4.17Å; Y15-L183 HydrophobicContact CD2-CD1 4.39Å; Y15-L183 HydrophobicContact CE1-CB 3.75Å; Y15-L183 HydrophobicContact CE1-CD1 3.85Å; Y15-L183 HydrophobicContact CE1-CG 4.33Å; Y15-L183 HydrophobicContact CE2-CD1 4.08Å; Y15-L183 HydrophobicContact CG-CD1 4.43Å |
| 184 | V | 86.6 | Confident | 76.2 | Confident | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.2 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -47 | -175.8 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V14 E16 V182 L228 Y250 | V14-V184 PolarHBondContact O-N 2.84Å; E16-V184 HydrophobicContact CB-CG2 3.69Å; E16-V184 VanDerWaalsContact CD-CG2 3.44Å; E16-V184 HydrophobicContact CG-CB 4.24Å; E16-V184 HydrophobicContact CG-CG2 3.39Å; V182-V184 HydrophobicContact CG1-CG2 4.38Å; V182-V184 PolarHBondContact O-N 2.94Å; V184-L228 HydrophobicContact CG1-CD1 4Å; V184-Y250 PolarHBondContact O-OH 3.21Å |
| 185 | T | 92.3 | Very high | 78 | Confident | 33 Ų | 33 | 46.3 Ų | 46.3 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 160 | 178 | -168 | 0 | 0 | 0 | 0 | 111.6 | V14 L204 | V14-T185 HydrophobicContact CB-CG2 4.01Å; V14-T185 HydrophobicContact CG2-CG2 3.88Å; V14-T185 PolarHBondContact N-O 3.11Å; T185-L204 HydrophobicContact CG2-CD1 3.9Å |
| 186 | K | 92.1 | Very high | 80.2 | Confident | 103 Ų | 103 | 43.4 Ų | 43.4 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.1 | 163.4 | -69.2 | -167 | 173.4 | -167.2 | 0 | 107.9 | E30 | E30-K186 IonicContact OE1-NZ 3.43Å |
| 187 | C | 94.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 168 | 179.1 | 63.8 | 0 | 0 | 0 | 0 | 109.9 | I12 L204 I205 | I12-C187 PolarHBondContact N-O 2.97Å; I12-C187 PolarHBondContact O-N 3.34Å; I12-C187 PolarHBondContact O-SG 2.98Å; C187-L204 HydrophobicContact CB-CB 4Å; C187-I205 CarbonylContact C-O 2.94Å; C187-I205 VanDerWaalsContact CA-O 3.3Å; C187-I205 WeakPolarHBondContact CA-O 3.27Å; C187-I205 WeakPolarHBondContact CB-O 3.31Å |
| 188 | Y | 94.1 | Very high | 83.1 | Confident | 90 Ų | 90 | 38.9 Ų | 38.9 | 35% | 0.353 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -111.4 | -5.1 | -174.7 | -59.8 | -72.5 | 0 | 0 | 0 | 112.6 | K10 I205 T206 Y208 Y316 | K10-Y188 WeakPolarHBondContact O-CD1 2.9Å; Y188-I205 PolarHBondContact N-O 3.14Å; Y188-T206 WeakPolarHBondContact CD2-O 3.38Å; Y188-T206 WeakPolarHBondContact CE2-O 3.47Å; Y188-Y208 HydrophobicContact CD1-CD1 4.14Å; Y188-Y208 AromaticContact CD1-CE1 3.56Å; Y188-Y208 HydrophobicContact CD1-CE1 3.56Å; Y188-Y208 AromaticContact CD2-CD1 3.78Å; Y188-Y208 HydrophobicContact CD2-CD1 3.78Å; Y188-Y208 HydrophobicContact CD2-CE1 4.05Å; Y188-Y208 HydrophobicContact CE1-CE1 4.13Å; Y188-Y208 HydrophobicContact CE2-CD1 4.46Å; Y188-Y208 AromaticContact CG-CD1 3.58Å; Y188-Y208 HydrophobicContact CG-CD1 3.58Å; Y188-Y208 AromaticContact CG-CE1 3.5Å; Y188-Y208 HydrophobicContact CG-CE1 3.5Å; Y188-Y316 PolarHBondContact O-OH 3.06Å |
| 189 | G | 93.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 154.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I205 T384 | G189-I205 PolarHBondContact O-N 3.41Å; G189-T384 VanDerWaalsContact CA-OG1 3.23Å; G189-T384 WeakPolarHBondContact CA-OG1 3.1Å |
| 190 | V | 94.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.4 | 174 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | I12 L23 L202 L204 W382 F383 T384 | I12-V190 HydrophobicContact CD1-CG2 3.83Å; L23-V190 HydrophobicContact CD1-CG2 4.03Å; V190-L202 HydrophobicContact CG1-CD1 3.65Å; V190-L202 HydrophobicContact CG1-CG 4.48Å; V190-L204 HydrophobicContact CG1-CD2 4.36Å; V190-L204 HydrophobicContact CG2-CD2 4.02Å; V190-W382 WeakPolarHBondContact CB-O 3.5Å; V190-F383 HydrophobicContact CB-CD1 4.22Å; V190-F383 HydrophobicContact CG1-CD1 3.69Å; V190-F383 HydrophobicContact CG1-CE1 3.61Å; V190-F383 CarbonylContact O-C 3.52Å; V190-F383 VanDerWaalsContact O-CA 3.29Å; V190-F383 WeakPolarHBondContact O-CA 3.45Å; V190-T384 PolarHBondContact O-N 3.04Å |
| 191 | V | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -39.6 | -179.8 | 176.7 | 0 | 0 | 0 | 0 | 111 | I203 I205 N356 L359 L386 | V191-I203 HydrophobicContact CB-CB 3.93Å; V191-I203 HydrophobicContact CB-CG2 3.7Å; V191-I203 HydrophobicContact CG1-CB 4.5Å; V191-I203 HydrophobicContact CG1-CG2 4.15Å; V191-I203 HydrophobicContact CG2-CG2 3.92Å; V191-I203 PolarHBondContact N-O 2.93Å; V191-I205 HydrophobicContact CG2-CD1 4.16Å; V191-I205 HydrophobicContact CG2-CG1 3.64Å; V191-N356 HydrophobicContact CG1-CB 3.85Å; V191-N356 PolarHBondContact O-ND2 3.21Å; V191-L359 HydrophobicContact CG1-CD1 4.44Å; V191-L386 HydrophobicContact CB-CD1 4.24Å; V191-L386 HydrophobicContact CG1-CD1 3.48Å; V191-L386 VanDerWaalsContact CG1-CD1 3.48Å; V191-L386 HydrophobicContact CG1-CG 4.24Å; V191-L386 HydrophobicContact CG2-CD1 3.83Å; V191-L386 HydrophobicContact CG2-CG 4.49Å |
| 192 | G | 92.5 | Very high | 88 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -176.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I203 L359 | G192-I203 PolarHBondContact O-N 3.14Å; G192-L359 CarbonylContact C-O 3.59Å; G192-L359 WeakPolarHBondContact CA-O 3.29Å |
| 193 | V | 90.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 138.9 | 170.8 | -70.2 | 0 | 0 | 0 | 0 | 110 | T62 L75 Y200 Y201 L202 L359 P361 | T62-V193 HydrophobicContact CG2-CG2 4.3Å; L75-V193 HydrophobicContact CD1-CB 4.37Å; L75-V193 HydrophobicContact CD1-CG1 4.12Å; V193-Y200 HydrophobicContact CB-CD1 4.3Å; V193-Y201 CarbonylContact C-O 3.57Å; V193-Y201 VanDerWaalsContact CA-O 3.27Å; V193-Y201 WeakPolarHBondContact CA-O 3.34Å; V193-L202 HydrophobicContact CG1-CD1 3.64Å; V193-L359 PolarHBondContact N-O 2.86Å; V193-L359 VanDerWaalsContact O-O 3.12Å; V193-P361 HydrophobicContact CG2-CG 3.64Å |
| 194 | V | 87.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.7 | 177.7 | 67.9 | 0 | 0 | 0 | 0 | 109.7 | F196 Y200 Y201 I203 F303 L359 | V194-F196 HydrophobicContact CG1-CE2 4.49Å; V194-F196 HydrophobicContact CG1-CZ 4.01Å; V194-F196 HydrophobicContact CG2-CD1 4.3Å; V194-F196 HydrophobicContact CG2-CE1 3.62Å; V194-F196 HydrophobicContact CG2-CZ 3.96Å; V194-Y200 CarbonylContact O-C 3.51Å; V194-Y200 WeakPolarHBondContact O-CA 3.48Å; V194-Y201 PolarHBondContact N-O 3.36Å; V194-Y201 PolarHBondContact O-N 2.86Å; V194-I203 HydrophobicContact CB-CD1 4.32Å; V194-I203 HydrophobicContact CG1-CD1 3.94Å; V194-I203 HydrophobicContact CG1-CG1 4.4Å; V194-F303 HydrophobicContact CB-CE2 4.32Å; V194-F303 HydrophobicContact CB-CZ 4.36Å; V194-F303 HydrophobicContact CG1-CE1 4.34Å; V194-F303 HydrophobicContact CG1-CE2 4.34Å; V194-F303 HydrophobicContact CG1-CZ 4.13Å; V194-F303 HydrophobicContact CG2-CD2 4.29Å; V194-F303 HydrophobicContact CG2-CE2 3.89Å; V194-F303 HydrophobicContact CG2-CZ 4.43Å; V194-L359 HydrophobicContact CB-CD2 4.16Å; V194-L359 HydrophobicContact CG2-CD2 4.21Å |
| 195 | R | 83.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 16.2 Ų | 16.2 | 3% | 0.03 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.3 | 173.7 | 171.3 | 176 | 176.4 | -161.7 | -2.7 | 108.8 | V69 D70 W73 L197 G199 Y200 R747 | V69-R195 PolarHBondContact O-NH1 3.12Å; D70-R195 VanDerWaalsContact CA-NH1 3.31Å; D70-R195 PolarHBondContact O-NH1 3.49Å; D70-R195 IonicContact OD1-NH1 2.87Å; W73-R195 VanDerWaalsContact CB-NH1 3.25Å; W73-R195 VanDerWaalsContact NE1-NH2 3.13Å; R195-L197 PolarHBondContact NH2-O 2.68Å; R195-G199 WeakPolarHBondContact CA-O 3.3Å; R195-G199 WeakPolarHBondContact CG-O 3.41Å; R195-Y200 HydrophobicContact CB-CD1 3.73Å; R195-Y200 HydrophobicContact CB-CD2 4.22Å; R195-Y200 HydrophobicContact CB-CE1 3.67Å; R195-Y200 HydrophobicContact CB-CE2 4.13Å; R195-Y200 HydrophobicContact CB-CG 4.03Å; R195-Y200 HydrophobicContact CG-CD2 4.49Å; R195-Y200 HydrophobicContact CG-CE2 4.33Å; R195-R747 PolarHBondContact O-NH1 3.05Å; R195-R747 PolarHBondContact O-NH2 3.13Å |
| 196 | F | 81.2 | Confident | 89.5 | Confident | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.026 | 7% | 0.069 | C | C | . | . | trans | -106.3 | -107.5 | 170.3 | -48.4 | -55.6 | 0 | 0 | 0 | 108.9 | V194 Y201 E296 Y299 L300 F303 L744 P751 | V194-F196 HydrophobicContact CG1-CE2 4.49Å; V194-F196 HydrophobicContact CG1-CZ 4.01Å; V194-F196 HydrophobicContact CG2-CD1 4.3Å; V194-F196 HydrophobicContact CG2-CE1 3.62Å; V194-F196 HydrophobicContact CG2-CZ 3.96Å; F196-Y201 HydrophobicContact CD2-CD2 4.05Å; F196-Y201 AromaticContact CD2-CE2 3.73Å; F196-Y201 HydrophobicContact CD2-CE2 3.73Å; F196-Y201 AromaticContact CE2-CD2 3.95Å; F196-Y201 HydrophobicContact CE2-CD2 3.95Å; F196-Y201 AromaticContact CE2-CE2 3.94Å; F196-Y201 HydrophobicContact CE2-CE2 3.94Å; F196-E296 WeakPolarHBondContact CB-OE2 3.26Å; F196-Y299 HydrophobicContact CB-CD2 4.38Å; F196-Y299 HydrophobicContact CB-CG 4.44Å; F196-L300 HydrophobicContact CE2-CB 4.31Å; F196-F303 HydrophobicContact CE1-CB 4.16Å; F196-F303 AromaticContact CE1-CD2 3.99Å; F196-F303 HydrophobicContact CE1-CD2 3.99Å; F196-F303 HydrophobicContact CE1-CG 4.25Å; F196-F303 HydrophobicContact CZ-CB 3.58Å; F196-F303 HydrophobicContact CZ-CD1 4.41Å; F196-F303 AromaticContact CZ-CD2 3.88Å; F196-F303 HydrophobicContact CZ-CD2 3.88Å; F196-F303 AromaticContact CZ-CG 3.71Å; F196-F303 HydrophobicContact CZ-CG 3.71Å; F196-L744 HydrophobicContact CD1-CD1 4.14Å; F196-L744 HydrophobicContact CD1-CD2 4.49Å; F196-L744 HydrophobicContact CE1-CD1 4.06Å; F196-L744 HydrophobicContact CE1-CD2 3.92Å; F196-L744 HydrophobicContact CE1-CG 4.11Å; F196-P751 HydrophobicContact CB-CG 4.29Å; F196-P751 HydrophobicContact CD1-CG 4.09Å | ||
| 197 | L | 76.5 | Confident | 89.7 | Confident | 11 Ų | 11 | 17.1 Ų | 17.1 | 6% | 0.058 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -102.8 | -39.7 | -176.3 | -52.5 | 177.2 | 0 | 0 | 0 | 112.7 | R195 L292 D295 E296 Y299 P751 L753 | R195-L197 PolarHBondContact NH2-O 2.68Å; L197-L292 HydrophobicContact CB-CD1 3.51Å; L197-L292 HydrophobicContact CD1-CD1 3.67Å; L197-L292 HydrophobicContact CG-CD1 4.22Å; L197-D295 HydrophobicContact CD1-CB 3.71Å; L197-E296 WeakPolarHBondContact CA-OE2 3.42Å; L197-E296 WeakPolarHBondContact CB-OE2 3.44Å; L197-E296 PolarHBondContact N-OE2 2.57Å; L197-Y299 HydrophobicContact CD1-CD2 4.21Å; L197-Y299 HydrophobicContact CD1-CE2 3.95Å; L197-Y299 HydrophobicContact CD2-CE2 4.3Å; L197-Y299 HydrophobicContact CG-CD2 4.19Å; L197-Y299 HydrophobicContact CG-CE2 4.09Å; L197-P751 HydrophobicContact CD2-CB 3.74Å; L197-P751 HydrophobicContact CG-CB 4.39Å; L197-L753 HydrophobicContact CB-CD1 3.88Å; L197-L753 HydrophobicContact CD2-CD1 4.18Å; L197-L753 HydrophobicContact CG-CD1 4.47Å |
| 198 | R | 72.8 | Confident | 89.8 | Confident | 61 Ų | 61 | 20.2 Ų | 20.2 | 23% | 0.23 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -94 | -65.8 | -173.7 | -62.4 | -175.4 | 74.1 | 164.5 | -1.8 | 112.6 | W73 H234 L292 S293 E296 | W73-R198 WeakPolarHBondContact CH2-O 3.36Å; W73-R198 WeakPolarHBondContact CZ2-O 3.08Å; W73-R198 WeakPolarHBondContact CZ3-O 3.41Å; R198-H234 PolarHBondContact NH2-CE1 3.46Å; R198-H234 VanDerWaalsContact NH2-CE1 3.28Å; R198-H234 PolarHBondContact NH2-NE2 2.71Å; R198-L292 HydrophobicContact CG-CD1 4.41Å; R198-L292 HydrophobicContact CG-CD2 4.13Å; R198-L292 HydrophobicContact CG-CG 4.01Å; R198-S293 PolarHBondContact NH1-OG 2.87Å; R198-E296 HydrophobicContact CB-CG 4.37Å; R198-E296 HydrophobicContact CG-CB 4.39Å; R198-E296 HydrophobicContact CG-CG 4.21Å; R198-E296 PolarHBondContact N-OE1 3.24Å; R198-E296 PolarHBondContact N-OE2 3.28Å; R198-E296 VanDerWaalsContact N-OE2 3.13Å |
| 199 | G | 77.4 | Confident | 89.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -138.7 | -178.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R195 | R195-G199 WeakPolarHBondContact CA-O 3.3Å; R195-G199 WeakPolarHBondContact CG-O 3.41Å | ||
| 200 | Y | 87.3 | Confident | 90 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 151.3 | 175.2 | -79.2 | -94.6 | 0 | 0 | 0 | 110.6 | T62 V63 W73 L75 V193 V194 R195 Y229 I230 | T62-Y200 HydrophobicContact CG2-CD1 4.3Å; T62-Y200 HydrophobicContact CG2-CE1 3.5Å; T62-Y200 VanDerWaalsContact CG2-CE1 3.5Å; V63-Y200 HydrophobicContact CG1-CE1 4.24Å; W73-Y200 HydrophobicContact CB-CD2 4.42Å; W73-Y200 HydrophobicContact CB-CE2 3.93Å; W73-Y200 WeakPolarHBondContact O-CD2 3.32Å; W73-Y200 WeakPolarHBondContact O-CE2 3.47Å; L75-Y200 HydrophobicContact CD1-CD1 3.68Å; L75-Y200 HydrophobicContact CD1-CD2 4.24Å; L75-Y200 HydrophobicContact CD1-CE1 4.27Å; L75-Y200 HydrophobicContact CD1-CG 3.65Å; L75-Y200 HydrophobicContact CD2-CD2 3.78Å; L75-Y200 HydrophobicContact CD2-CE2 4.49Å; L75-Y200 HydrophobicContact CD2-CG 3.89Å; L75-Y200 HydrophobicContact CG-CD1 4.01Å; L75-Y200 HydrophobicContact CG-CD2 3.71Å; L75-Y200 HydrophobicContact CG-CE1 4.34Å; L75-Y200 HydrophobicContact CG-CE2 4.09Å; L75-Y200 HydrophobicContact CG-CG 3.67Å; V193-Y200 HydrophobicContact CB-CD1 4.3Å; V194-Y200 CarbonylContact O-C 3.51Å; V194-Y200 WeakPolarHBondContact O-CA 3.48Å; R195-Y200 HydrophobicContact CB-CD1 3.73Å; R195-Y200 HydrophobicContact CB-CD2 4.22Å; R195-Y200 HydrophobicContact CB-CE1 3.67Å; R195-Y200 HydrophobicContact CB-CE2 4.13Å; R195-Y200 HydrophobicContact CB-CG 4.03Å; R195-Y200 HydrophobicContact CG-CD2 4.49Å; R195-Y200 HydrophobicContact CG-CE2 4.33Å; Y200-Y229 WeakPolarHBondContact O-CD2 3.37Å; Y200-I230 PolarHBondContact N-O 3.26Å; Y200-I230 WeakPolarHBondContact O-CA 3.35Å; Y200-I230 WeakPolarHBondContact O-CB 3.33Å; Y200-I230 PolarHBondContact O-N 3.31Å |
| 201 | Y | 91.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 7% | 0.071 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.7 | 173.3 | -65 | -91.1 | 0 | 0 | 0 | 108.3 | V193 V194 F196 I227 L228 Y229 E296 L300 | V193-Y201 CarbonylContact C-O 3.57Å; V193-Y201 VanDerWaalsContact CA-O 3.27Å; V193-Y201 WeakPolarHBondContact CA-O 3.34Å; V194-Y201 PolarHBondContact N-O 3.36Å; V194-Y201 PolarHBondContact O-N 2.86Å; F196-Y201 HydrophobicContact CD2-CD2 4.05Å; F196-Y201 AromaticContact CD2-CE2 3.73Å; F196-Y201 HydrophobicContact CD2-CE2 3.73Å; F196-Y201 AromaticContact CE2-CD2 3.95Å; F196-Y201 HydrophobicContact CE2-CD2 3.95Å; F196-Y201 AromaticContact CE2-CE2 3.94Å; F196-Y201 HydrophobicContact CE2-CE2 3.94Å; Y201-I227 HydrophobicContact CD1-CG2 3.64Å; Y201-I227 HydrophobicContact CG-CG2 3.99Å; Y201-L228 CarbonylContact C-O 3.57Å; Y201-L228 VanDerWaalsContact CA-O 3.29Å; Y201-L228 WeakPolarHBondContact CA-O 3.14Å; Y201-Y229 AromaticContact CD1-CD2 3.73Å; Y201-Y229 HydrophobicContact CD1-CD2 3.73Å; Y201-Y229 HydrophobicContact CD1-CG 4.32Å; Y201-Y229 HydrophobicContact CD2-CD2 4.35Å; Y201-Y229 AromaticContact CE1-CD2 3.28Å; Y201-Y229 HydrophobicContact CE1-CD2 3.28Å; Y201-Y229 HydrophobicContact CE1-CE2 4.13Å; Y201-Y229 AromaticContact CE1-CG 3.88Å; Y201-Y229 HydrophobicContact CE1-CG 3.88Å; Y201-Y229 AromaticContact CE2-CD2 3.95Å; Y201-Y229 HydrophobicContact CE2-CD2 3.95Å; Y201-Y229 HydrophobicContact CE2-CE2 4.11Å; Y201-Y229 HydrophobicContact CG-CD2 4.25Å; Y201-Y229 AromaticContact CZ-CD2 3.4Å; Y201-Y229 AromaticContact CZ-CE2 3.77Å; Y201-E296 WeakPolarHBondContact CE2-OE1 3.35Å; Y201-E296 PolarHBondContact OH-OE1 3.13Å; Y201-L300 HydrophobicContact CD1-CD1 4.17Å; Y201-L300 HydrophobicContact CE1-CD1 3.38Å; Y201-L300 HydrophobicContact CE2-CD1 4.4Å |
| 202 | L | 93.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.1 | 173.7 | -177.8 | 70.3 | 0 | 0 | 0 | 109 | L23 V190 V193 L204 I227 L228 I230 | L23-L202 HydrophobicContact CD1-CD2 4.23Å; L23-L202 HydrophobicContact CD2-CD2 4.04Å; V190-L202 HydrophobicContact CG1-CD1 3.65Å; V190-L202 HydrophobicContact CG1-CG 4.48Å; V193-L202 HydrophobicContact CG1-CD1 3.64Å; L202-L204 HydrophobicContact CD2-CD2 3.83Å; L202-L204 HydrophobicContact CD2-CG 4.45Å; L202-L204 HydrophobicContact CG-CD2 3.81Å; L202-L204 HydrophobicContact CG-CG 4.31Å; L202-I227 WeakPolarHBondContact O-CA 3.25Å; L202-L228 HydrophobicContact CB-CB 4.24Å; L202-L228 HydrophobicContact CD2-CD2 4.45Å; L202-L228 PolarHBondContact N-O 3.33Å; L202-L228 PolarHBondContact O-N 2.85Å; L202-I230 HydrophobicContact CB-CD1 4.08Å; L202-I230 HydrophobicContact CB-CG1 4.46Å |
| 203 | I | 95 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.8 | -175.8 | -53.7 | 158.6 | 0 | 0 | 0 | 108.7 | V191 G192 V194 F303 L308 L359 | V191-I203 HydrophobicContact CB-CB 3.93Å; V191-I203 HydrophobicContact CB-CG2 3.7Å; V191-I203 HydrophobicContact CG1-CB 4.5Å; V191-I203 HydrophobicContact CG1-CG2 4.15Å; V191-I203 HydrophobicContact CG2-CG2 3.92Å; V191-I203 PolarHBondContact N-O 2.93Å; G192-I203 PolarHBondContact O-N 3.14Å; V194-I203 HydrophobicContact CB-CD1 4.32Å; V194-I203 HydrophobicContact CG1-CD1 3.94Å; V194-I203 HydrophobicContact CG1-CG1 4.4Å; I203-F303 HydrophobicContact CD1-CE1 3.54Å; I203-F303 HydrophobicContact CD1-CZ 3.41Å; I203-F303 VanDerWaalsContact CD1-CZ 3.41Å; I203-F303 HydrophobicContact CG1-CE1 4.26Å; I203-L308 HydrophobicContact CG2-CD1 4.04Å; I203-L359 HydrophobicContact CD1-CD1 4.11Å |
| 204 | L | 96.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143 | -170.5 | -56.4 | 176 | 0 | 0 | 0 | 110.9 | V14 T185 C187 V190 L202 T225 A226 | V14-L204 HydrophobicContact CG2-CD1 3.91Å; T185-L204 HydrophobicContact CG2-CD1 3.9Å; C187-L204 HydrophobicContact CB-CB 4Å; V190-L204 HydrophobicContact CG1-CD2 4.36Å; V190-L204 HydrophobicContact CG2-CD2 4.02Å; L202-L204 HydrophobicContact CD2-CD2 3.83Å; L202-L204 HydrophobicContact CD2-CG 4.45Å; L202-L204 HydrophobicContact CG-CD2 3.81Å; L202-L204 HydrophobicContact CG-CG 4.31Å; L204-T225 CarbonylContact O-C 3.32Å; L204-T225 WeakPolarHBondContact O-CA 3.37Å; L204-T225 VanDerWaalsContact O-CB 3.26Å; L204-T225 WeakPolarHBondContact O-CB 3.45Å; L204-A226 PolarHBondContact N-O 3.04Å; L204-A226 PolarHBondContact O-N 2.81Å |
| 205 | I | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 109.3 | 171.6 | -56.7 | 173.1 | 0 | 0 | 0 | 108.3 | C187 Y188 G189 V191 V222 F314 T384 L386 | C187-I205 CarbonylContact C-O 2.94Å; C187-I205 VanDerWaalsContact CA-O 3.3Å; C187-I205 WeakPolarHBondContact CA-O 3.27Å; C187-I205 WeakPolarHBondContact CB-O 3.31Å; Y188-I205 PolarHBondContact N-O 3.14Å; G189-I205 PolarHBondContact O-N 3.41Å; V191-I205 HydrophobicContact CG2-CD1 4.16Å; V191-I205 HydrophobicContact CG2-CG1 3.64Å; I205-V222 HydrophobicContact CD1-CG2 4.18Å; I205-V222 HydrophobicContact CG1-CG2 4.48Å; I205-V222 HydrophobicContact CG2-CG1 4.31Å; I205-V222 HydrophobicContact CG2-CG2 4.48Å; I205-F314 HydrophobicContact CD1-CD1 4.15Å; I205-F314 HydrophobicContact CD1-CE1 3.99Å; I205-F314 HydrophobicContact CD1-CZ 4.29Å; I205-F314 HydrophobicContact CG2-CE1 4.36Å; I205-F314 HydrophobicContact CG2-CZ 4.49Å; I205-T384 HydrophobicContact CD1-CG2 4.15Å; I205-L386 HydrophobicContact CD1-CD2 4.05Å |
| 206 | T | 95.7 | Very high | 90.7 | Very high | 29 Ų | 29 | 30 Ų | 30 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -20.8 | -177.3 | 49.4 | 0 | 0 | 0 | 0 | 113 | Y188 D224 T225 A226 | Y188-T206 WeakPolarHBondContact CD2-O 3.38Å; Y188-T206 WeakPolarHBondContact CE2-O 3.47Å; T206-D224 PolarHBondContact N-O 3.44Å; T206-D224 WeakPolarHBondContact OG1-CB 3.49Å; T206-D224 PolarHBondContact OG1-O 3Å; T206-D224 PolarHBondContact OG1-OD2 3.02Å; T206-T225 PolarHBondContact OG1-N 2.74Å; T206-A226 HydrophobicContact CG2-CB 3.53Å |
| 207 | K | 96.3 | Very high | 91.2 | Very high | 125 Ų | 125 | 31 Ų | 31 | 54% | 0.543 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145.9 | 175.9 | -164.4 | -179.4 | 176.7 | -173.3 | 0 | 110.7 | E223 D224 | K207-E223 HydrophobicContact CB-CB 3.99Å; K207-E223 HydrophobicContact CD-CB 4.09Å; K207-E223 HydrophobicContact CG-CB 3.9Å; K207-E223 PolarHBondContact O-N 2.83Å; K207-D224 HydrophobicContact CB-CB 3.71Å; K207-D224 PolarHBondContact N-O 3.49Å; K207-D224 PolarHBondContact O-N 3.3Å |
| 208 | Y | 96.4 | Very high | 92 | Very high | 65 Ų | 65 | 33.7 Ų | 33.7 | 26% | 0.255 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 162.2 | 171.9 | 72.5 | -89.6 | 0 | 0 | 0 | 110.6 | Y188 V210 C220 K221 F314 | Y188-Y208 HydrophobicContact CD1-CD1 4.14Å; Y188-Y208 AromaticContact CD1-CE1 3.56Å; Y188-Y208 HydrophobicContact CD1-CE1 3.56Å; Y188-Y208 AromaticContact CD2-CD1 3.78Å; Y188-Y208 HydrophobicContact CD2-CD1 3.78Å; Y188-Y208 HydrophobicContact CD2-CE1 4.05Å; Y188-Y208 HydrophobicContact CE1-CE1 4.13Å; Y188-Y208 HydrophobicContact CE2-CD1 4.46Å; Y188-Y208 AromaticContact CG-CD1 3.58Å; Y188-Y208 HydrophobicContact CG-CD1 3.58Å; Y188-Y208 AromaticContact CG-CE1 3.5Å; Y188-Y208 HydrophobicContact CG-CE1 3.5Å; Y208-V210 HydrophobicContact CE2-CG2 4.22Å; Y208-C220 HydrophobicContact CD2-CB 3.7Å; Y208-C220 VanDerWaalsContact CD2-SG 3.56Å; Y208-C220 HydrophobicContact CE2-CB 4.35Å; Y208-C220 VanDerWaalsContact CE2-SG 3.58Å; Y208-C220 HydrophobicContact CG-CB 4.35Å; Y208-K221 CarbonylContact C-O 3.05Å; Y208-K221 WeakPolarHBondContact CA-O 3.35Å; Y208-K221 VanDerWaalsContact CB-O 3.26Å; Y208-K221 WeakPolarHBondContact CB-O 3.41Å; Y208-F314 HydrophobicContact CD1-CZ 4.26Å; Y208-F314 HydrophobicContact CD2-CZ 4.4Å; Y208-F314 AromaticContact CG-CZ 3.9Å; Y208-F314 HydrophobicContact CG-CZ 3.9Å |
| 209 | S | 96.5 | Very high | 93.1 | Very high | 37 Ų | 37 | 30.8 Ų | 30.8 | 26% | 0.259 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 150.2 | 170.2 | 64.4 | 0 | 0 | 0 | 0 | 109.5 | C220 K221 E223 | S209-C220 CarbonylContact O-C 3.52Å; S209-C220 WeakPolarHBondContact O-CA 3.4Å; S209-K221 PolarHBondContact N-O 2.99Å; S209-K221 PolarHBondContact O-N 3.33Å; S209-E223 WeakPolarHBondContact CB-OE1 3.12Å; S209-E223 PolarHBondContact OG-OE1 3.11Å |
| 210 | V | 96.4 | Very high | 94 | Very high | 73 Ų | 73 | 30.8 Ų | 30.8 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.9 | 172.4 | 180 | 0 | 0 | 0 | 0 | 107.7 | Y208 Q218 | Y208-V210 HydrophobicContact CE2-CG2 4.22Å; V210-Q218 HydrophobicContact CG1-CB 4.27Å; V210-Q218 HydrophobicContact CG1-CG 4.37Å |
| 211 | V | 95.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 28% | 0.279 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -23.3 | -174.9 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | I219 K221 Y313 V391 | V211-I219 HydrophobicContact CG2-CG2 4.13Å; V211-I219 WeakPolarHBondContact CG2-O 3.47Å; V211-I219 PolarHBondContact N-O 3.27Å; V211-K221 HydrophobicContact CG1-CB 3.5Å; V211-K221 HydrophobicContact CG1-CD 4.19Å; V211-K221 HydrophobicContact CG1-CG 4.47Å; V211-K221 HydrophobicContact CG2-CB 4.26Å; V211-Y313 HydrophobicContact CG2-CD1 3.86Å; V211-Y313 HydrophobicContact CG2-CE1 3.9Å; V211-V391 HydrophobicContact CG2-CB 4.3Å; V211-V391 HydrophobicContact CG2-CG1 4.13Å |
| 212 | A | 95.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 154.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | I219 V391 Q393 T406 | A212-I219 HydrophobicContact CB-CB 4.21Å; A212-I219 HydrophobicContact CB-CD1 4.19Å; A212-I219 PolarHBondContact N-O 2.81Å; A212-I219 PolarHBondContact O-N 3.13Å; A212-V391 HydrophobicContact CB-CG1 3.81Å; A212-Q393 HydrophobicContact CB-CB 3.86Å; A212-T406 HydrophobicContact CB-CG2 4.08Å |
| 213 | Q | 94.3 | Very high | 95 | Very high | 98 Ų | 98 | 35.5 Ų | 35.5 | 46% | 0.458 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.5 | 175.1 | -175.9 | 171.1 | -5.2 | 0 | 0 | 110.5 | G215 H217 Q393 H442 | Q213-G215 VanDerWaalsContact CG-O 3.3Å; Q213-G215 WeakPolarHBondContact CG-O 3.38Å; Q213-G215 PolarHBondContact NE2-O 2.9Å; Q213-H217 CarbonylContact C-O 3.53Å; Q213-H217 WeakPolarHBondContact CA-O 3.34Å; Q213-Q393 PolarHBondContact O-NE2 3.13Å; Q213-H442 PolarHBondContact O-CE1 2.95Å; Q213-H442 PolarHBondContact O-NE2 2.97Å |
| 214 | L | 92.1 | Very high | 95 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 91.5 | 175.8 | -63.6 | 178.3 | 0 | 0 | 0 | 108.3 | E216 H217 I219 Y318 T406 I408 I440 L449 | L214-E216 PolarHBondContact O-N 2.7Å; L214-E216 VanDerWaalsContact O-N 3.15Å; L214-H217 HydrophobicContact CB-CB 4.36Å; L214-H217 PolarHBondContact N-O 3.05Å; L214-H217 WeakPolarHBondContact O-CB 3.45Å; L214-H217 PolarHBondContact O-CD2 2.78Å; L214-H217 PolarHBondContact O-N 2.89Å; L214-I219 HydrophobicContact CD1-CD1 4Å; L214-I219 HydrophobicContact CG-CD1 4.3Å; L214-Y318 HydrophobicContact CD1-CD1 4.41Å; L214-Y318 HydrophobicContact CD1-CD2 4.46Å; L214-Y318 HydrophobicContact CD1-CE1 4.06Å; L214-Y318 HydrophobicContact CD1-CE2 4.12Å; L214-T406 HydrophobicContact CD2-CG2 4.28Å; L214-T406 WeakPolarHBondContact CD2-OG1 3.45Å; L214-I408 HydrophobicContact CD1-CD1 4.39Å; L214-I440 HydrophobicContact CD1-CD1 3.86Å; L214-I440 HydrophobicContact CD2-CD1 4.29Å; L214-I440 HydrophobicContact CD2-CG2 4.09Å; L214-L449 HydrophobicContact CB-CD1 4.44Å; L214-L449 HydrophobicContact CB-CD2 4.22Å |
| 215 | G | 89.1 | Confident | 95 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 7% | 0.072 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -117.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q213 H217 H442 S447 | Q213-G215 VanDerWaalsContact CG-O 3.3Å; Q213-G215 WeakPolarHBondContact CG-O 3.38Å; Q213-G215 PolarHBondContact NE2-O 2.9Å; G215-H217 PolarHBondContact O-N 3.3Å; G215-H442 PolarHBondContact N-NE2 3.19Å; G215-S447 CarbonylContact C-O 3.57Å; G215-S447 VanDerWaalsContact C-O 3.32Å |
| 216 | E | 89.1 | Confident | 94.9 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.1 | 178 | 69.5 | -91.3 | -128.5 | 0 | 0 | 113.6 | V3 L214 S447 F448 L449 | V3-E216 HydrophobicContact CB-CG 4.38Å; V3-E216 HydrophobicContact CG1-CG 3.75Å; V3-E216 HydrophobicContact CG2-CB 3.83Å; V3-E216 HydrophobicContact CG2-CG 3.68Å; L214-E216 PolarHBondContact O-N 2.7Å; L214-E216 VanDerWaalsContact O-N 3.15Å; E216-S447 PolarHBondContact N-O 3.23Å; E216-F448 HydrophobicContact CB-CD1 4.32Å; E216-F448 HydrophobicContact CG-CD1 4.41Å; E216-F448 WeakPolarHBondContact OE2-CA 2.94Å; E216-L449 VanDerWaalsContact OE2-CB 3.32Å; E216-L449 WeakPolarHBondContact OE2-CB 3.49Å; E216-L449 PolarHBondContact OE2-N 3.35Å |
| 217 | H | 91.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.9 | -171.8 | -56.9 | -77.3 | 0 | 0 | 0 | 112.9 | Q213 L214 G215 T317 Y318 | Q213-H217 CarbonylContact C-O 3.53Å; Q213-H217 WeakPolarHBondContact CA-O 3.34Å; L214-H217 HydrophobicContact CB-CB 4.36Å; L214-H217 PolarHBondContact N-O 3.05Å; L214-H217 WeakPolarHBondContact O-CB 3.45Å; L214-H217 PolarHBondContact O-CD2 2.78Å; L214-H217 PolarHBondContact O-N 2.89Å; G215-H217 PolarHBondContact O-N 3.3Å; H217-T317 WeakPolarHBondContact CA-OG1 3.49Å; H217-T317 PolarHBondContact CE1-O 3.24Å; H217-T317 VanDerWaalsContact ND1-C 3.3Å; H217-T317 WeakPolarHBondContact ND1-CB 3.29Å; H217-T317 PolarHBondContact ND1-O 3.22Å; H217-T317 PolarHBondContact ND1-OG1 3.3Å; H217-Y318 HydrophobicContact CB-CD2 4.29Å; H217-Y318 HydrophobicContact CB-CG 4.28Å; H217-Y318 AromaticContact CG-CD2 3.98Å |
| 218 | Q | 93.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.4 | 176.6 | -69.4 | 178.1 | -21.3 | 0 | 0 | 110.4 | V210 S315 | V210-Q218 HydrophobicContact CG1-CB 4.27Å; V210-Q218 HydrophobicContact CG1-CG 4.37Å; Q218-S315 VanDerWaalsContact O-CB 3.27Å; Q218-S315 WeakPolarHBondContact O-CB 3.31Å; Q218-S315 PolarHBondContact O-OG 2.82Å |
| 219 | I | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.1 | 172.1 | -56.5 | 174.7 | 0 | 0 | 0 | 107.7 | V211 A212 L214 L320 V391 I408 | V211-I219 HydrophobicContact CG2-CG2 4.13Å; V211-I219 WeakPolarHBondContact CG2-O 3.47Å; V211-I219 PolarHBondContact N-O 3.27Å; A212-I219 HydrophobicContact CB-CB 4.21Å; A212-I219 HydrophobicContact CB-CD1 4.19Å; A212-I219 PolarHBondContact N-O 2.81Å; A212-I219 PolarHBondContact O-N 3.13Å; L214-I219 HydrophobicContact CD1-CD1 4Å; L214-I219 HydrophobicContact CG-CD1 4.3Å; I219-L320 HydrophobicContact CD1-CD2 3.74Å; I219-L320 HydrophobicContact CG1-CD2 3.99Å; I219-L320 HydrophobicContact CG2-CD1 4.09Å; I219-L320 HydrophobicContact CG2-CD2 4.17Å; I219-V391 HydrophobicContact CD1-CG1 4.39Å; I219-V391 HydrophobicContact CG2-CG1 4.12Å; I219-V391 HydrophobicContact CG2-CG2 4.28Å; I219-I408 HydrophobicContact CD1-CD1 3.9Å |
| 220 | C | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.5 | -176.8 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | Y208 S209 Y313 F314 | Y208-C220 HydrophobicContact CD2-CB 3.7Å; Y208-C220 VanDerWaalsContact CD2-SG 3.56Å; Y208-C220 HydrophobicContact CE2-CB 4.35Å; Y208-C220 VanDerWaalsContact CE2-SG 3.58Å; Y208-C220 HydrophobicContact CG-CB 4.35Å; S209-C220 CarbonylContact O-C 3.52Å; S209-C220 WeakPolarHBondContact O-CA 3.4Å; C220-Y313 CarbonylContact O-C 3.51Å; C220-Y313 WeakPolarHBondContact O-CA 3.41Å; C220-Y313 WeakPolarHBondContact O-CB 3.34Å; C220-F314 HydrophobicContact CB-CD1 4.16Å; C220-F314 HydrophobicContact CB-CD2 4.27Å; C220-F314 HydrophobicContact CB-CE1 3.75Å; C220-F314 HydrophobicContact CB-CE2 3.88Å; C220-F314 HydrophobicContact CB-CG 4.4Å; C220-F314 HydrophobicContact CB-CZ 3.61Å; C220-F314 PolarHBondContact N-O 3.04Å; C220-F314 PolarHBondContact O-N 2.84Å |
| 221 | K | 97.8 | Very high | 92.2 | Very high | 53 Ų | 53 | 35.6 Ų | 35.6 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.8 | 167.8 | -176.9 | -172.7 | 171.8 | -167.7 | 0 | 109 | Y208 S209 V211 A309 Y313 | Y208-K221 CarbonylContact C-O 3.05Å; Y208-K221 WeakPolarHBondContact CA-O 3.35Å; Y208-K221 VanDerWaalsContact CB-O 3.26Å; Y208-K221 WeakPolarHBondContact CB-O 3.41Å; S209-K221 PolarHBondContact N-O 2.99Å; S209-K221 PolarHBondContact O-N 3.33Å; V211-K221 HydrophobicContact CG1-CB 3.5Å; V211-K221 HydrophobicContact CG1-CD 4.19Å; V211-K221 HydrophobicContact CG1-CG 4.47Å; V211-K221 HydrophobicContact CG2-CB 4.26Å; K221-A309 WeakPolarHBondContact CE-O 3.46Å; K221-Y313 HydrophobicContact CB-CD1 3.78Å; K221-Y313 HydrophobicContact CB-CE1 3.82Å; K221-Y313 HydrophobicContact CD-CE1 4.15Å; K221-Y313 HydrophobicContact CG-CD1 4.08Å; K221-Y313 HydrophobicContact CG-CE1 3.83Å |
| 222 | V | 97.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 131.3 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | I205 T225 L308 A309 F312 F314 L386 | I205-V222 HydrophobicContact CD1-CG2 4.18Å; I205-V222 HydrophobicContact CG1-CG2 4.48Å; I205-V222 HydrophobicContact CG2-CG1 4.31Å; I205-V222 HydrophobicContact CG2-CG2 4.48Å; V222-T225 HydrophobicContact CG1-CG2 3.5Å; V222-L308 WeakPolarHBondContact CB-O 3.39Å; V222-L308 HydrophobicContact CG1-CB 4.33Å; V222-A309 WeakPolarHBondContact O-CA 3.46Å; V222-F312 HydrophobicContact CG2-CB 4.32Å; V222-F312 PolarHBondContact N-O 3.05Å; V222-F314 HydrophobicContact CG2-CD1 3.74Å; V222-F314 HydrophobicContact CG2-CE1 3.78Å; V222-L386 HydrophobicContact CG2-CD2 4.12Å |
| 223 | E | 96.5 | Very high | 88.2 | Confident | 68 Ų | 68 | 39 Ų | 39 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -30.5 | 179.2 | -69.1 | -66.6 | 154 | 0 | 0 | 112.1 | K207 S209 A309 | K207-E223 HydrophobicContact CB-CB 3.99Å; K207-E223 HydrophobicContact CD-CB 4.09Å; K207-E223 HydrophobicContact CG-CB 3.9Å; K207-E223 PolarHBondContact O-N 2.83Å; S209-E223 WeakPolarHBondContact CB-OE1 3.12Å; S209-E223 PolarHBondContact OG-OE1 3.11Å; E223-A309 VanDerWaalsContact O-CB 3.31Å; E223-A309 WeakPolarHBondContact O-CB 3.42Å |
| 224 | D | 95.6 | Very high | 85.9 | Confident | 86 Ų | 86 | 38.7 Ų | 38.7 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 151.8 | 177.1 | -166.9 | 19.8 | 0 | 0 | 0 | 110.7 | T206 K207 | T206-D224 PolarHBondContact N-O 3.44Å; T206-D224 WeakPolarHBondContact OG1-CB 3.49Å; T206-D224 PolarHBondContact OG1-O 3Å; T206-D224 PolarHBondContact OG1-OD2 3.02Å; K207-D224 HydrophobicContact CB-CB 3.71Å; K207-D224 PolarHBondContact N-O 3.49Å; K207-D224 PolarHBondContact O-N 3.3Å |
| 225 | T | 95.8 | Very high | 82.9 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 23% | 0.233 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151.9 | 179.6 | 61.6 | 0 | 0 | 0 | 0 | 111.4 | L204 T206 V222 L308 | L204-T225 CarbonylContact O-C 3.32Å; L204-T225 WeakPolarHBondContact O-CA 3.37Å; L204-T225 VanDerWaalsContact O-CB 3.26Å; L204-T225 WeakPolarHBondContact O-CB 3.45Å; T206-T225 PolarHBondContact OG1-N 2.74Å; V222-T225 HydrophobicContact CG1-CG2 3.5Å; T225-L308 HydrophobicContact CG2-CB 3.73Å; T225-L308 HydrophobicContact CG2-CD1 3.86Å; T225-L308 HydrophobicContact CG2-CG 4.44Å |
| 226 | A | 93.4 | Very high | 80.1 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 146.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L204 T206 | L204-A226 PolarHBondContact N-O 3.04Å; L204-A226 PolarHBondContact O-N 2.81Å; T206-A226 HydrophobicContact CG2-CB 3.53Å |
| 227 | I | 92.9 | Very high | 77.3 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 23% | 0.226 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.8 | 174.3 | -57 | -178.8 | 0 | 0 | 0 | 107.5 | Y201 L202 F303 | Y201-I227 HydrophobicContact CD1-CG2 3.64Å; Y201-I227 HydrophobicContact CG-CG2 3.99Å; L202-I227 WeakPolarHBondContact O-CA 3.25Å; I227-F303 HydrophobicContact CD1-CD1 4.17Å; I227-F303 HydrophobicContact CD1-CE1 4.4Å |
| 228 | L | 90.7 | Very high | 74.4 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.6 | 179.1 | -167.4 | 99 | 0 | 0 | 0 | 109.6 | E16 I21 V184 Y201 L202 | E16-L228 WeakPolarHBondContact OE1-CD1 3.39Å; E16-L228 WeakPolarHBondContact OE1-CD2 3.5Å; I21-L228 HydrophobicContact CD1-CD2 3.73Å; I21-L228 HydrophobicContact CG1-CD2 4.5Å; I21-L228 HydrophobicContact CG2-CD2 4.36Å; V184-L228 HydrophobicContact CG1-CD1 4Å; Y201-L228 CarbonylContact C-O 3.57Å; Y201-L228 VanDerWaalsContact CA-O 3.29Å; Y201-L228 WeakPolarHBondContact CA-O 3.14Å; L202-L228 HydrophobicContact CB-CB 4.24Å; L202-L228 HydrophobicContact CD2-CD2 4.45Å; L202-L228 PolarHBondContact N-O 3.33Å; L202-L228 PolarHBondContact O-N 2.85Å |
| 229 | Y | 89.2 | Confident | 71.3 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 29% | 0.286 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.1 | 176.1 | -177.3 | -124.7 | 0 | 0 | 0 | 111.2 | Y200 Y201 P231 | Y200-Y229 WeakPolarHBondContact O-CD2 3.37Å; Y201-Y229 AromaticContact CD1-CD2 3.73Å; Y201-Y229 HydrophobicContact CD1-CD2 3.73Å; Y201-Y229 HydrophobicContact CD1-CG 4.32Å; Y201-Y229 HydrophobicContact CD2-CD2 4.35Å; Y201-Y229 AromaticContact CE1-CD2 3.28Å; Y201-Y229 HydrophobicContact CE1-CD2 3.28Å; Y201-Y229 HydrophobicContact CE1-CE2 4.13Å; Y201-Y229 AromaticContact CE1-CG 3.88Å; Y201-Y229 HydrophobicContact CE1-CG 3.88Å; Y201-Y229 AromaticContact CE2-CD2 3.95Å; Y201-Y229 HydrophobicContact CE2-CD2 3.95Å; Y201-Y229 HydrophobicContact CE2-CE2 4.11Å; Y201-Y229 HydrophobicContact CG-CD2 4.25Å; Y201-Y229 AromaticContact CZ-CD2 3.4Å; Y201-Y229 AromaticContact CZ-CE2 3.77Å; Y229-P231 HydrophobicContact CD1-CB 4.21Å; Y229-P231 HydrophobicContact CE1-CB 3.72Å; Y229-P231 VanDerWaalsContact O-CD 3.31Å; Y229-P231 WeakPolarHBondContact O-CD 3.49Å |
| 230 | I | 84.9 | Confident | 68 | Low | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 95 | 171.2 | -51 | 179.8 | 0 | 0 | 0 | 106.3 | I21 I38 L75 Y200 L202 G232 | I21-I230 HydrophobicContact CD1-CB 4.36Å; I21-I230 HydrophobicContact CD1-CD1 4.2Å; I21-I230 HydrophobicContact CD1-CG1 3.69Å; I21-I230 HydrophobicContact CD1-CG2 4.17Å; I38-I230 HydrophobicContact CD1-CD1 4.44Å; I38-I230 HydrophobicContact CG2-CD1 4.17Å; L75-I230 HydrophobicContact CD1-CD1 4.25Å; L75-I230 HydrophobicContact CD2-CD1 4.47Å; L75-I230 HydrophobicContact CD2-CG2 4.04Å; Y200-I230 PolarHBondContact N-O 3.26Å; Y200-I230 WeakPolarHBondContact O-CA 3.35Å; Y200-I230 WeakPolarHBondContact O-CB 3.33Å; Y200-I230 PolarHBondContact O-N 3.31Å; L202-I230 HydrophobicContact CB-CD1 4.08Å; L202-I230 HydrophobicContact CB-CG1 4.46Å; I230-G232 PolarHBondContact O-N 3.11Å |
| 231 | P | 68.2 | Low | 64.7 | Low | 33 Ų | 33 | 68.1 Ų | 68.1 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | trans | -60.9 | 128.2 | 177.5 | 24.5 | -31.2 | 0 | 0 | 0 | 108.7 | R40 Y229 | R40-P231 VanDerWaalsContact NH1-CD 3.29Å; Y229-P231 HydrophobicContact CD1-CB 4.21Å; Y229-P231 HydrophobicContact CE1-CB 3.72Å; Y229-P231 VanDerWaalsContact O-CD 3.31Å; Y229-P231 WeakPolarHBondContact O-CD 3.49Å | ||
| 232 | G | 60.6 | Low | 61.3 | Low | 7 Ų | 7 | 68.9 Ų | 68.9 | 7% | 0.072 | 41% | 0.407 | C | S | . | . | trans | -95.6 | 148.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | W73 I230 H234 | W73-G232 VanDerWaalsContact CZ3-C 3.46Å; W73-G232 VanDerWaalsContact CZ3-CA 3.5Å; W73-G232 VanDerWaalsContact CZ3-O 3.31Å; W73-G232 WeakPolarHBondContact CZ3-O 3.45Å; I230-G232 PolarHBondContact O-N 3.11Å; G232-H234 PolarHBondContact O-N 3.34Å | ||
| 233 | N | 46.9 | Very low | 57.8 | Low | 114 Ų | 114 | 75.9 Ų | 75.9 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 25.6 | 10.3 | 171.5 | -89.4 | 4.4 | 0 | 0 | 0 | 122.5 | P42 C235 | P42-N233 VanDerWaalsContact CD-CG 3.44Å; P42-N233 WeakPolarHBondContact CD-OD1 3.49Å; P42-N233 HydrophobicContact CG-CB 4.15Å; P42-N233 VanDerWaalsContact CG-CG 3.43Å; P42-N233 WeakPolarHBondContact CG-ND2 3.43Å; P42-N233 WeakPolarHBondContact CG-OD1 3.49Å; N233-C235 PolarHBondContact O-N 3.16Å; N233-C235 VanDerWaalsContact O-N 3.09Å |
| 234 | H | 45.2 | Very low | 54.4 | Low | 91 Ų | 91 | 80.2 Ų | 80.2 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | trans | -70.8 | 102.8 | 156.8 | -75.9 | -72.3 | 0 | 0 | 0 | 105.6 | R198 G232 V236 | R198-H234 PolarHBondContact NH2-CE1 3.46Å; R198-H234 VanDerWaalsContact NH2-CE1 3.28Å; R198-H234 PolarHBondContact NH2-NE2 2.71Å; G232-H234 PolarHBondContact O-N 3.34Å; H234-V236 PolarHBondContact O-N 3.44Å | ||
| 235 | C | 30 | Very low | 51 | Low | 110 Ų | 110 | 80.1 Ų | 80.1 | 74% | 0.743 | 49% | 0.489 | S | S | * | . | trans | -44.3 | 117.1 | 156.6 | -84.5 | 0 | 0 | 0 | 0 | 106.4 | N233 D237 | N233-C235 PolarHBondContact O-N 3.16Å; N233-C235 VanDerWaalsContact O-N 3.09Å; C235-D237 VanDerWaalsContact C-N 3.34Å; C235-D237 PolarHBondContact O-N 3.43Å; C235-D237 VanDerWaalsContact O-N 3.07Å | ||
| 236 | V | 30.3 | Very low | 47.5 | Very low | 107 Ų | 107 | 83.4 Ų | 83.4 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | trans | -65.1 | 105.9 | 163 | 177.5 | 0 | 0 | 0 | 0 | 104 | H234 E238 | H234-V236 PolarHBondContact O-N 3.44Å; V236-E238 PolarHBondContact O-N 2.91Å | ||
| 237 | D | 29.4 | Very low | 44.1 | Very low | 127 Ų | 127 | 92.9 Ų | 92.9 | 68% | 0.679 | 54% | 0.542 | S | S | * | . | trans | -63.4 | 104.6 | 164.6 | -70.2 | -35.8 | 0 | 0 | 0 | 105.9 | C235 S239 | C235-D237 VanDerWaalsContact C-N 3.34Å; C235-D237 PolarHBondContact O-N 3.43Å; C235-D237 VanDerWaalsContact O-N 3.07Å; D237-S239 PolarHBondContact O-N 2.83Å | ||
| 238 | E | 30.5 | Very low | 41 | Very low | 118 Ų | 118 | 96.1 Ų | 96.1 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -65.8 | 4.1 | -170.3 | -79.7 | -158.5 | 144.4 | 0 | 0 | 114.4 | H104 V236 | H104-E238 IonicContact CE1-OE1 3.96Å; H104-E238 IonicContact CE1-OE2 3.19Å; H104-E238 PolarHBondContact CE1-OE2 3.17Å; H104-E238 IonicContact ND1-OE2 3.46Å; H104-E238 PolarHBondContact ND1-OE2 2.91Å; V236-E238 PolarHBondContact O-N 2.91Å |
| 239 | S | 29.4 | Very low | 37.8 | Very low | 104 Ų | 104 | 102.1 Ų | 102.1 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -75.3 | -22.2 | 179.6 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | D237 L241 | D237-S239 PolarHBondContact O-N 2.83Å; S239-L241 PolarHBondContact O-N 3.32Å |
| 240 | G | 27.3 | Very low | 34.9 | Very low | 65 Ų | 65 | 108 Ų | 108 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -79.6 | -15.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | A242 | G240-A242 PolarHBondContact O-N 2.81Š|
| 241 | L | 26.2 | Very low | 32.1 | Very low | 133 Ų | 133 | 111 Ų | 111 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -95 | 20.8 | -171.6 | -109 | 86.8 | 0 | 0 | 0 | 115 | K178 S239 | K178-L241 WeakPolarHBondContact CE-O 3.46Å; K178-L241 PolarHBondContact NZ-O 2.78Å; S239-L241 PolarHBondContact O-N 3.32Å |
| 242 | A | 26.2 | Very low | 30.2 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 57% | 0.57 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -110.4 | 67.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G240 | G240-A242 PolarHBondContact O-N 2.81Š|
| 243 | N | 24.6 | Very low | 28.8 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 165.3 | 106 | 149.3 | -85 | -24.7 | 0 | 0 | 0 | 109.3 | ||
| 244 | N | 26.2 | Very low | 28.1 | Very low | 159 Ų | 159 | 119 Ų | 119 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | 165.1 | 85.8 | 140.8 | -83.4 | -23.5 | 0 | 0 | 0 | 109.1 | S246 | N244-S246 PolarHBondContact O-N 2.89Å; N244-S246 VanDerWaalsContact O-N 3.07Å | ||
| 245 | G | 23.1 | Very low | 27.4 | Very low | 85 Ų | 85 | 116.6 Ų | 116.6 | 88% | 0.876 | 69% | 0.687 | S | S | * | * | trans | -69.4 | 95.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 246 | S | 23.5 | Very low | 27.3 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 74% | 0.741 | 67% | 0.671 | S | S | * | * | trans | -155 | 122.4 | 164.1 | -80.4 | 0 | 0 | 0 | 0 | 110.3 | N244 S248 | N244-S246 PolarHBondContact O-N 2.89Å; N244-S246 VanDerWaalsContact O-N 3.07Å; S246-S248 PolarHBondContact O-N 3.13Å | ||
| 247 | R | 22.1 | Very low | 27.4 | Very low | 234 Ų | 234 | 113.7 Ų | 113.7 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | trans | -46.9 | 101 | 178.2 | -112.6 | 164.3 | 143.6 | 172.2 | -7.5 | 111.2 | H249 | R247-H249 PolarHBondContact O-N 3.35Å; R247-H249 VanDerWaalsContact O-N 3.14Å | ||
| 248 | S | 26.2 | Very low | 27.3 | Very low | 112 Ų | 112 | 110.6 Ų | 110.6 | 78% | 0.783 | 65% | 0.648 | S | S | * | * | trans | -76.1 | 98.9 | 169.1 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | S246 Y250 | S246-S248 PolarHBondContact O-N 3.13Å; S248-Y250 PolarHBondContact O-N 3.03Å | ||
| 249 | H | 23.4 | Very low | 27.2 | Very low | 148 Ų | 148 | 109.6 Ų | 109.6 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -64.1 | 126.4 | 159.4 | -85.7 | -90.1 | 0 | 0 | 0 | 108.3 | R247 S251 | R247-H249 PolarHBondContact O-N 3.35Å; R247-H249 VanDerWaalsContact O-N 3.14Å; H249-S251 PolarHBondContact O-N 3.13Å | ||
| 250 | Y | 29.6 | Very low | 27.4 | Very low | 197 Ų | 197 | 107.8 Ų | 107.8 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | trans | -45.5 | 110.9 | 177.1 | -60.2 | -87.4 | 0 | 0 | 0 | 110.2 | V184 S248 | V184-Y250 PolarHBondContact O-OH 3.21Å; S248-Y250 PolarHBondContact O-N 3.03Å | ||
| 251 | S | 25.8 | Very low | 27.4 | Very low | 66 Ų | 66 | 108.4 Ų | 108.4 | 46% | 0.462 | 63% | 0.629 | S | S | . | * | trans | -116.5 | 127.3 | 179.1 | 43.4 | 0 | 0 | 0 | 0 | 108.6 | H249 S255 | H249-S251 PolarHBondContact O-N 3.13Å; S251-S255 PolarHBondContact O-OG 2.94Å; S251-S255 WeakPolarHBondContact OG-CB 3.29Å | ||
| 252 | S | 27.3 | Very low | 27.5 | Very low | 104 Ų | 104 | 109.4 Ų | 109.4 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | -39.1 | 149.7 | 170.3 | -40.4 | 0 | 0 | 0 | 0 | 112 | S254 S255 | S252-S254 WeakPolarHBondContact O-CA 3.28Å; S252-S254 PolarHBondContact O-N 3.21Å; S252-S254 PolarHBondContact O-OG 3.26Å; S252-S255 PolarHBondContact O-N 2.87Å | ||
| 253 | I | 32 | Very low | 27.6 | Very low | 122 Ų | 122 | 113 Ų | 113 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -4.5 | -32.6 | 178.7 | -64.3 | 169.4 | 0 | 0 | 0 | 119.3 | S255 L256 | I253-S255 PolarHBondContact O-N 3.06Å; I253-S255 VanDerWaalsContact O-N 3.13Å; I253-L256 PolarHBondContact O-N 3.41Å |
| 254 | S | 32 | Very low | 27.6 | Very low | 94 Ų | 94 | 112 Ų | 112 | 66% | 0.657 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -53.9 | -26.3 | 172.3 | 57.3 | 0 | 0 | 0 | 0 | 115 | S252 | S252-S254 WeakPolarHBondContact O-CA 3.28Å; S252-S254 PolarHBondContact O-N 3.21Å; S252-S254 PolarHBondContact O-OG 3.26Å |
| 255 | S | 30.2 | Very low | 27.6 | Very low | 42 Ų | 42 | 111.6 Ų | 111.6 | 29% | 0.294 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -84.1 | -24.5 | -178.3 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | S251 S252 I253 N257 S258 | S251-S255 PolarHBondContact O-OG 2.94Å; S251-S255 WeakPolarHBondContact OG-CB 3.29Å; S252-S255 PolarHBondContact O-N 2.87Å; I253-S255 PolarHBondContact O-N 3.06Å; I253-S255 VanDerWaalsContact O-N 3.13Å; S255-N257 PolarHBondContact O-N 3.06Å; S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 3.34Å |
| 256 | L | 27.5 | Very low | 27.7 | Very low | 79 Ų | 79 | 115.1 Ų | 115.1 | 41% | 0.414 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.7 | -22.6 | 176.1 | -79.3 | 162 | 0 | 0 | 0 | 112.6 | I253 S258 V260 | I253-L256 PolarHBondContact O-N 3.41Å; L256-S258 PolarHBondContact O-N 3.43Å; L256-V260 PolarHBondContact O-N 2.93Å |
| 257 | N | 32.5 | Very low | 28 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 41% | 0.412 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62 | -28.2 | 171.2 | -75.7 | -19.3 | 0 | 0 | 0 | 112.1 | S255 S261 | S255-N257 PolarHBondContact O-N 3.06Å; N257-S261 WeakPolarHBondContact O-CB 3.49Å; N257-S261 PolarHBondContact O-OG 2.92Å |
| 258 | S | 28 | Very low | 28.3 | Very low | 62 Ų | 62 | 111.9 Ų | 111.9 | 43% | 0.434 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -81.7 | -37.4 | -179.3 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | S255 L256 V260 S261 Q262 | S255-S258 PolarHBondContact O-N 2.91Å; S255-S258 PolarHBondContact O-OG 3.34Å; L256-S258 PolarHBondContact O-N 3.43Å; S258-V260 VanDerWaalsContact C-N 3.26Å; S258-V260 PolarHBondContact O-N 2.75Å; S258-S261 PolarHBondContact O-N 2.62Å; S258-Q262 PolarHBondContact O-N 2.93Å |
| 259 | T | 29.4 | Very low | 28.2 | Very low | 96 Ų | 96 | 112.3 Ų | 112.3 | 59% | 0.589 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.5 | -26 | -179.6 | -21.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 260 | V | 31.9 | Very low | 28.6 | Very low | 67 Ų | 67 | 110.4 Ų | 110.4 | 41% | 0.406 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -16.8 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | L256 S258 M297 | L256-V260 PolarHBondContact O-N 2.93Å; S258-V260 VanDerWaalsContact C-N 3.26Å; S258-V260 PolarHBondContact O-N 2.75Å; V260-M297 HydrophobicContact CB-CE 4.04Å; V260-M297 HydrophobicContact CG1-CE 3.99Å; V260-M297 HydrophobicContact CG2-CE 4.14Å |
| 261 | S | 28.8 | Very low | 28.5 | Very low | 78 Ų | 78 | 108.4 Ų | 108.4 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.8 | -9.7 | -173.8 | -54.4 | 0 | 0 | 0 | 0 | 114.8 | N257 S258 | N257-S261 WeakPolarHBondContact O-CB 3.49Å; N257-S261 PolarHBondContact O-OG 2.92Å; S258-S261 PolarHBondContact O-N 2.62Å |
| 262 | Q | 28.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 114 Ų | 114 | 72% | 0.72 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -86.3 | 0.7 | -175.3 | -84.4 | -174 | -37.4 | 0 | 0 | 115.4 | S258 L264 | S258-Q262 PolarHBondContact O-N 2.93Å; Q262-L264 PolarHBondContact O-N 3.39Å |
| 263 | D | 26.5 | Very low | 28.8 | Very low | 143 Ų | 143 | 116.9 Ų | 116.9 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | trans | -99.1 | 51.6 | -179.4 | -62.2 | -19.7 | 0 | 0 | 0 | 112.4 | ||||
| 264 | L | 25.3 | Very low | 28.7 | Very low | 128 Ų | 128 | 117.3 Ų | 117.3 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | trans | -121.5 | 127.2 | 172.3 | -65.3 | 175.2 | 0 | 0 | 0 | 108.7 | Q262 | Q262-L264 PolarHBondContact O-N 3.39Š| ||
| 265 | D | 25.7 | Very low | 28.7 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | trans | 102.2 | 88 | 174.5 | -48.4 | -24 | 0 | 0 | 0 | 113.2 | ||||
| 266 | D | 26.6 | Very low | 28.8 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | trans | 177 | 102.3 | 133.1 | -86.3 | -20.5 | 0 | 0 | 0 | 110.3 | ||||
| 267 | D | 28.9 | Very low | 29.3 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | trans | -94.6 | 98 | 171.2 | -91.6 | -31.5 | 0 | 0 | 0 | 108.9 | ||||
| 268 | S | 28.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 69% | 0.691 | S | S | * | * | trans | -168.7 | 101.6 | 152.5 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 269 | C | 24.5 | Very low | 30.1 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -164.7 | 104.6 | 146.5 | -148.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 270 | S | 30 | Very low | 30.9 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -85.9 | 119.9 | 164.8 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 271 | N | 29.4 | Very low | 31.4 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | trans | -150.1 | 130.9 | 156.1 | -87.9 | -35.1 | 0 | 0 | 0 | 109.4 | ||||
| 272 | E | 30.4 | Very low | 31.9 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | trans | -76.5 | 124.1 | -170 | -59.2 | 176.4 | 153.4 | 0 | 0 | 110.8 | ||||
| 273 | D | 27.7 | Very low | 32.8 | Very low | 163 Ų | 163 | 122 Ų | 122 | 87% | 0.872 | 66% | 0.657 | S | S | * | * | trans | -169.3 | 65.6 | 156.1 | -88.6 | -30.1 | 0 | 0 | 0 | 107.3 | ||||
| 274 | E | 30 | Very low | 33.7 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 61% | 0.612 | 64% | 0.639 | S | S | * | * | trans | -112.4 | 94 | -173.3 | -74.4 | -166.3 | 135.5 | 0 | 0 | 112.3 | ||||
| 275 | Q | 31.5 | Very low | 34.9 | Very low | 195 Ų | 195 | 117 Ų | 117 | 91% | 0.911 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -133.9 | -17.3 | 157.1 | -73.4 | -164.6 | -8.4 | 0 | 0 | 115.6 | ||
| 276 | Q | 33.9 | Very low | 35.9 | Very low | 124 Ų | 124 | 113 Ų | 113 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -112.1 | -5.6 | 172.2 | -71.5 | -170.2 | 15.2 | 0 | 0 | 114.9 | E47 G278 | E47-Q276 PolarHBondContact OE1-NE2 2.93Å; Q276-G278 PolarHBondContact O-N 3.5Å |
| 277 | T | 37.6 | Very low | 37.1 | Very low | 62 Ų | 62 | 106.7 Ų | 106.7 | 38% | 0.38 | 58% | 0.582 | S | S | . | * | trans | -75 | -10 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 113 | L279 F280 H281 | T277-L279 VanDerWaalsContact C-N 3.35Å; T277-L279 PolarHBondContact O-N 3.48Å; T277-F280 CarbonylContact O-C 3.53Å; T277-F280 WeakPolarHBondContact O-CA 3.4Å; T277-F280 WeakPolarHBondContact O-CB 3.38Å; T277-F280 PolarHBondContact O-N 2.97Å; T277-H281 WeakPolarHBondContact O-CB 3.38Å; T277-H281 PolarHBondContact O-N 3.34Å | ||
| 278 | G | 35.8 | Very low | 38.5 | Very low | 46 Ų | 46 | 101.5 Ų | 101.5 | 47% | 0.474 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -52 | -44.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q276 F282 | Q276-G278 PolarHBondContact O-N 3.5Å; G278-F282 WeakPolarHBondContact O-CA 3.28Å; G278-F282 WeakPolarHBondContact O-CB 3.09Å; G278-F282 PolarHBondContact O-N 2.89Å |
| 279 | L | 41.9 | Very low | 40.1 | Very low | 72 Ų | 72 | 103.5 Ų | 103.5 | 38% | 0.377 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.7 | -37.1 | 177.6 | -171.3 | 141.7 | 0 | 0 | 0 | 111.9 | T277 I283 | T277-L279 VanDerWaalsContact C-N 3.35Å; T277-L279 PolarHBondContact O-N 3.48Å; L279-I283 HydrophobicContact CD2-CD1 3.47Å; L279-I283 VanDerWaalsContact CD2-CD1 3.47Å; L279-I283 HydrophobicContact CD2-CG1 4.34Å; L279-I283 HydrophobicContact CG-CD1 4.25Å; L279-I283 VanDerWaalsContact O-CB 3.3Å; L279-I283 WeakPolarHBondContact O-CB 3.41Å; L279-I283 WeakPolarHBondContact O-CG1 3.15Å; L279-I283 PolarHBondContact O-N 2.74Å |
| 280 | F | 45.5 | Very low | 42.1 | Very low | 81 Ų | 81 | 106.4 Ų | 106.4 | 36% | 0.355 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.6 | -42.8 | 178.6 | -150.9 | -86.1 | 0 | 0 | 0 | 111.6 | L72 W73 T277 K284 | L72-F280 HydrophobicContact CD1-CD2 4.11Å; L72-F280 HydrophobicContact CD1-CE2 4.32Å; W73-F280 HydrophobicContact CH2-CZ 4.43Å; W73-F280 HydrophobicContact CZ2-CE2 4.18Å; W73-F280 AromaticContact CZ2-CZ 3.69Å; W73-F280 HydrophobicContact CZ2-CZ 3.69Å; T277-F280 CarbonylContact O-C 3.53Å; T277-F280 WeakPolarHBondContact O-CA 3.4Å; T277-F280 WeakPolarHBondContact O-CB 3.38Å; T277-F280 PolarHBondContact O-N 2.97Å; F280-K284 WeakPolarHBondContact O-CB 3.4Å; F280-K284 PolarHBondContact O-N 3.44Å |
| 281 | H | 42.7 | Very low | 44 | Very low | 104 Ų | 104 | 107.7 Ų | 107.7 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 174.7 | -169.2 | -97 | 0 | 0 | 0 | 110.3 | T277 K284 S285 | T277-H281 WeakPolarHBondContact O-CB 3.38Å; T277-H281 PolarHBondContact O-N 3.34Å; H281-K284 CarbonylContact O-C 3.57Å; H281-K284 PolarHBondContact O-N 3.13Å; H281-S285 WeakPolarHBondContact O-CA 3.19Å; H281-S285 WeakPolarHBondContact O-CB 3.33Å; H281-S285 PolarHBondContact O-N 3.32Å; H281-S285 PolarHBondContact O-OG 2.96Å |
| 282 | F | 38.4 | Very low | 46.1 | Very low | 129 Ų | 129 | 102 Ų | 102 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.3 | -45.9 | 175 | -175.6 | -98.1 | 0 | 0 | 0 | 112.4 | G278 K284 S285 S286 | G278-F282 WeakPolarHBondContact O-CA 3.28Å; G278-F282 WeakPolarHBondContact O-CB 3.09Å; G278-F282 PolarHBondContact O-N 2.89Å; F282-K284 VanDerWaalsContact C-N 3.32Å; F282-K284 PolarHBondContact O-N 3.38Å; F282-S285 WeakPolarHBondContact CA-OG 3.4Å; F282-S285 PolarHBondContact O-N 2.9Å; F282-S285 PolarHBondContact O-OG 2.96Å; F282-S285 VanDerWaalsContact O-OG 3.11Å; F282-S286 WeakPolarHBondContact O-CB 2.92Å; F282-S286 PolarHBondContact O-N 2.9Å; F282-S286 PolarHBondContact O-OG 2.82Å |
| 283 | I | 47.7 | Very low | 48.3 | Very low | 36 Ų | 36 | 94.9 Ų | 94.9 | 19% | 0.185 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 173.9 | -75.7 | 176.4 | 0 | 0 | 0 | 110.6 | L279 I287 L753 | L279-I283 HydrophobicContact CD2-CD1 3.47Å; L279-I283 VanDerWaalsContact CD2-CD1 3.47Å; L279-I283 HydrophobicContact CD2-CG1 4.34Å; L279-I283 HydrophobicContact CG-CD1 4.25Å; L279-I283 VanDerWaalsContact O-CB 3.3Å; L279-I283 WeakPolarHBondContact O-CB 3.41Å; L279-I283 WeakPolarHBondContact O-CG1 3.15Å; L279-I283 PolarHBondContact O-N 2.74Å; I283-I287 HydrophobicContact CG2-CD1 4.01Å; I283-I287 VanDerWaalsContact O-CB 3.31Å; I283-I287 WeakPolarHBondContact O-CB 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.47Å; I283-I287 PolarHBondContact O-N 3.37Å; I283-L753 HydrophobicContact CG2-CD2 3.22Å; I283-L753 HydrophobicContact CG2-CG 4.1Å |
| 284 | K | 45.7 | Very low | 50.8 | Low | 91 Ų | 91 | 90.8 Ų | 90.8 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.9 | -31.9 | -178.1 | -169.1 | -179.8 | -175.8 | -173.2 | 0 | 112.7 | F280 H281 F282 I287 | F280-K284 WeakPolarHBondContact O-CB 3.4Å; F280-K284 PolarHBondContact O-N 3.44Å; H281-K284 CarbonylContact O-C 3.57Å; H281-K284 PolarHBondContact O-N 3.13Å; F282-K284 VanDerWaalsContact C-N 3.32Å; F282-K284 PolarHBondContact O-N 3.38Å; K284-I287 VanDerWaalsContact O-O 3.12Å |
| 285 | S | 50.2 | Low | 53.2 | Low | 75 Ų | 75 | 86.2 Ų | 86.2 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -80.6 | -36.4 | 176.6 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | H281 F282 | H281-S285 WeakPolarHBondContact O-CA 3.19Å; H281-S285 WeakPolarHBondContact O-CB 3.33Å; H281-S285 PolarHBondContact O-N 3.32Å; H281-S285 PolarHBondContact O-OG 2.96Å; F282-S285 WeakPolarHBondContact CA-OG 3.4Å; F282-S285 PolarHBondContact O-N 2.9Å; F282-S285 PolarHBondContact O-OG 2.96Å; F282-S285 VanDerWaalsContact O-OG 3.11Å |
| 286 | S | 46.9 | Very low | 55.7 | Low | 65 Ų | 65 | 77.3 Ų | 77.3 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74 | -32.3 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | F282 | F282-S286 WeakPolarHBondContact O-CB 2.92Å; F282-S286 PolarHBondContact O-N 2.9Å; F282-S286 PolarHBondContact O-OG 2.82Å |
| 287 | I | 51.9 | Low | 58.2 | Low | 26 Ų | 26 | 73.1 Ų | 73.1 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -105.1 | 106.7 | -179 | -57.8 | 169.7 | 0 | 0 | 0 | 108.7 | I283 K284 R289 L292 L753 | I283-I287 HydrophobicContact CG2-CD1 4.01Å; I283-I287 VanDerWaalsContact O-CB 3.31Å; I283-I287 WeakPolarHBondContact O-CB 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.47Å; I283-I287 PolarHBondContact O-N 3.37Å; K284-I287 VanDerWaalsContact O-O 3.12Å; I287-R289 PolarHBondContact O-N 2.91Å; I287-R289 VanDerWaalsContact O-N 3.07Å; I287-L292 HydrophobicContact CG2-CB 4.2Å; I287-L753 HydrophobicContact CD1-CD1 4.49Å; I287-L753 HydrophobicContact CD1-CD2 4.47Å; I287-L753 HydrophobicContact CD1-CG 3.84Å; I287-L753 VanDerWaalsContact CD1-O 3.22Å; I287-L753 WeakPolarHBondContact CD1-O 3.08Å |
| 288 | G | 57.5 | Low | 60.4 | Low | 47 Ų | 47 | 75.9 Ų | 75.9 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | trans | -50.9 | 119.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K290 K291 L292 | G288-K290 PolarHBondContact O-N 3.44Å; G288-K291 WeakPolarHBondContact O-CB 3.43Å; G288-K291 PolarHBondContact O-N 2.85Å; G288-L292 PolarHBondContact O-N 3.1Å | ||
| 289 | R | 63 | Low | 62.9 | Low | 158 Ų | 158 | 74.1 Ų | 74.1 | 60% | 0.596 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -48.2 | -35 | -176.2 | -66 | -176.5 | -169.6 | 170.8 | 4.3 | 113.2 | I287 L292 S293 | I287-R289 PolarHBondContact O-N 2.91Å; I287-R289 VanDerWaalsContact O-N 3.07Å; R289-L292 PolarHBondContact O-N 3.35Å; R289-S293 PolarHBondContact O-N 2.88Å; R289-S293 VanDerWaalsContact O-N 3.07Å |
| 290 | K | 67.3 | Low | 65.1 | Low | 181 Ų | 181 | 72.1 Ų | 72.1 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 176.7 | -68 | -175.3 | 178.5 | 179.3 | 0 | 112.8 | G288 S293 S294 | G288-K290 PolarHBondContact O-N 3.44Å; K290-S293 PolarHBondContact O-N 2.91Å; K290-S294 WeakPolarHBondContact O-CB 3.38Å; K290-S294 PolarHBondContact O-N 2.93Å |
| 291 | K | 70.1 | Confident | 67.3 | Low | 135 Ų | 135 | 74.2 Ų | 74.2 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.8 | -46.4 | 177.7 | -173.9 | 179.3 | 178.1 | -175.5 | 0 | 110.7 | G288 S293 S294 D295 | G288-K291 WeakPolarHBondContact O-CB 3.43Å; G288-K291 PolarHBondContact O-N 2.85Å; K291-S293 VanDerWaalsContact C-N 3.33Å; K291-S293 PolarHBondContact O-N 3.15Å; K291-S294 WeakPolarHBondContact O-CB 3.36Å; K291-S294 PolarHBondContact O-N 2.98Å; K291-S294 VanDerWaalsContact O-N 3.16Å; K291-D295 PolarHBondContact O-N 3.03Å |
| 292 | L | 72.6 | Confident | 69.4 | Low | 38 Ų | 38 | 69.9 Ų | 69.9 | 20% | 0.199 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 177 | -178.4 | 60.8 | 0 | 0 | 0 | 112.4 | L197 R198 I287 G288 R289 D295 E296 L753 | L197-L292 HydrophobicContact CB-CD1 3.51Å; L197-L292 HydrophobicContact CD1-CD1 3.67Å; L197-L292 HydrophobicContact CG-CD1 4.22Å; R198-L292 HydrophobicContact CG-CD1 4.41Å; R198-L292 HydrophobicContact CG-CD2 4.13Å; R198-L292 HydrophobicContact CG-CG 4.01Å; I287-L292 HydrophobicContact CG2-CB 4.2Å; G288-L292 PolarHBondContact O-N 3.1Å; R289-L292 PolarHBondContact O-N 3.35Å; L292-D295 PolarHBondContact O-N 3.28Å; L292-E296 WeakPolarHBondContact O-CB 3.46Å; L292-E296 PolarHBondContact O-N 2.89Å; L292-L753 HydrophobicContact CD1-CD1 3.38Å |
| 293 | S | 76.3 | Confident | 71.8 | Confident | 33 Ų | 33 | 64 Ų | 64 | 23% | 0.231 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 177.7 | -160.3 | 0 | 0 | 0 | 0 | 112.3 | R198 R289 K290 K291 M297 | R198-S293 PolarHBondContact NH1-OG 2.87Å; R289-S293 PolarHBondContact O-N 2.88Å; R289-S293 VanDerWaalsContact O-N 3.07Å; K290-S293 PolarHBondContact O-N 2.91Å; K291-S293 VanDerWaalsContact C-N 3.33Å; K291-S293 PolarHBondContact O-N 3.15Å; S293-M297 WeakPolarHBondContact O-CB 3.36Å; S293-M297 PolarHBondContact O-N 3.29Å |
| 294 | S | 80.5 | Confident | 73.8 | Confident | 78 Ų | 78 | 64.5 Ų | 64.5 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | K290 K291 M297 R298 | K290-S294 WeakPolarHBondContact O-CB 3.38Å; K290-S294 PolarHBondContact O-N 2.93Å; K291-S294 WeakPolarHBondContact O-CB 3.36Å; K291-S294 PolarHBondContact O-N 2.98Å; K291-S294 VanDerWaalsContact O-N 3.16Å; S294-M297 PolarHBondContact O-N 2.73Å; S294-R298 PolarHBondContact O-N 2.77Å |
| 295 | D | 79.6 | Confident | 75.8 | Confident | 35 Ų | 35 | 63 Ų | 63 | 19% | 0.187 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -40.4 | -179.7 | -70 | -21 | 0 | 0 | 0 | 111.4 | L197 K291 L292 M297 R298 Y299 | L197-D295 HydrophobicContact CD1-CB 3.71Å; K291-D295 PolarHBondContact O-N 3.03Å; L292-D295 PolarHBondContact O-N 3.28Å; D295-M297 VanDerWaalsContact C-N 3.35Å; D295-M297 PolarHBondContact O-N 2.88Å; D295-R298 WeakPolarHBondContact O-CB 3.34Å; D295-R298 PolarHBondContact O-N 3.28Å; D295-R298 VanDerWaalsContact O-N 3.14Å; D295-Y299 HydrophobicContact CB-CE2 4.5Å; D295-Y299 WeakPolarHBondContact O-CD2 3.39Å; D295-Y299 PolarHBondContact O-N 2.84Å |
| 296 | E | 84.8 | Confident | 77.7 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.2 | -49.3 | 172.6 | -172.5 | 73.9 | 174.7 | 0 | 0 | 111.2 | F196 L197 R198 Y201 L292 R298 Y299 L300 | F196-E296 WeakPolarHBondContact CB-OE2 3.26Å; L197-E296 WeakPolarHBondContact CA-OE2 3.42Å; L197-E296 WeakPolarHBondContact CB-OE2 3.44Å; L197-E296 PolarHBondContact N-OE2 2.57Å; R198-E296 HydrophobicContact CB-CG 4.37Å; R198-E296 HydrophobicContact CG-CB 4.39Å; R198-E296 HydrophobicContact CG-CG 4.21Å; R198-E296 PolarHBondContact N-OE1 3.24Å; R198-E296 PolarHBondContact N-OE2 3.28Å; R198-E296 VanDerWaalsContact N-OE2 3.13Å; Y201-E296 WeakPolarHBondContact CE2-OE1 3.35Å; Y201-E296 PolarHBondContact OH-OE1 3.13Å; L292-E296 WeakPolarHBondContact O-CB 3.46Å; L292-E296 PolarHBondContact O-N 2.89Å; E296-R298 PolarHBondContact O-N 3.04Å; E296-Y299 PolarHBondContact O-N 3.13Å; E296-L300 WeakPolarHBondContact O-CB 3.36Å; E296-L300 PolarHBondContact O-N 3.37Å |
| 297 | M | 86.3 | Confident | 79.7 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -34 | 178.5 | -176.7 | 59.9 | 66.8 | 0 | 0 | 111.8 | V260 S293 S294 D295 L300 K301 | V260-M297 HydrophobicContact CB-CE 4.04Å; V260-M297 HydrophobicContact CG1-CE 3.99Å; V260-M297 HydrophobicContact CG2-CE 4.14Å; S293-M297 WeakPolarHBondContact O-CB 3.36Å; S293-M297 PolarHBondContact O-N 3.29Å; S294-M297 PolarHBondContact O-N 2.73Å; D295-M297 VanDerWaalsContact C-N 3.35Å; D295-M297 PolarHBondContact O-N 2.88Å; M297-L300 HydrophobicContact SD-CD2 4.46Å; M297-K301 HydrophobicContact CG-CD 4.38Å; M297-K301 WeakPolarHBondContact O-CB 3.47Å; M297-K301 VanDerWaalsContact O-CG 3.28Å; M297-K301 WeakPolarHBondContact O-CG 3.44Å; M297-K301 PolarHBondContact O-N 2.89Å |
| 298 | R | 84.8 | Confident | 81.6 | Confident | 120 Ų | 120 | 60.9 Ų | 60.9 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 175.8 | -169.2 | 176.4 | -176.8 | -172.3 | -1.6 | 111.6 | S294 D295 E296 L300 K301 L302 W811 | S294-R298 PolarHBondContact O-N 2.77Å; D295-R298 WeakPolarHBondContact O-CB 3.34Å; D295-R298 PolarHBondContact O-N 3.28Å; D295-R298 VanDerWaalsContact O-N 3.14Å; E296-R298 PolarHBondContact O-N 3.04Å; R298-L300 VanDerWaalsContact C-N 3.35Å; R298-K301 PolarHBondContact O-N 2.93Å; R298-L302 WeakPolarHBondContact O-CB 3.49Å; R298-L302 PolarHBondContact O-N 2.94Å; R298-W811 HydrophobicContact CG-CE3 4.46Å; R298-W811 HydrophobicContact CG-CH2 4.43Å; R298-W811 HydrophobicContact CG-CZ3 4.03Å; R298-W811 VanDerWaalsContact NH1-CD2 3.28Å |
| 299 | Y | 86.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 174.2 | -72.4 | -59.1 | 0 | 0 | 0 | 112.1 | F196 L197 D295 E296 L302 F303 L744 Y749 P751 I810 W811 | F196-Y299 HydrophobicContact CB-CD2 4.38Å; F196-Y299 HydrophobicContact CB-CG 4.44Å; L197-Y299 HydrophobicContact CD1-CD2 4.21Å; L197-Y299 HydrophobicContact CD1-CE2 3.95Å; L197-Y299 HydrophobicContact CD2-CE2 4.3Å; L197-Y299 HydrophobicContact CG-CD2 4.19Å; L197-Y299 HydrophobicContact CG-CE2 4.09Å; D295-Y299 HydrophobicContact CB-CE2 4.5Å; D295-Y299 WeakPolarHBondContact O-CD2 3.39Å; D295-Y299 PolarHBondContact O-N 2.84Å; E296-Y299 PolarHBondContact O-N 3.13Å; Y299-L302 PolarHBondContact O-N 3.3Å; Y299-F303 WeakPolarHBondContact O-CB 3.1Å; Y299-F303 PolarHBondContact O-N 2.86Å; Y299-L744 HydrophobicContact CD1-CD1 4.38Å; Y299-L744 HydrophobicContact CD1-CD2 4.2Å; Y299-Y749 AromaticContact CE1-CE1 3.73Å; Y299-Y749 HydrophobicContact CE1-CE1 3.73Å; Y299-Y749 PolarHBondContact OH-OH 3.47Å; Y299-P751 HydrophobicContact CD1-CB 4.43Å; Y299-P751 HydrophobicContact CD1-CG 3.73Å; Y299-P751 HydrophobicContact CD2-CB 4.03Å; Y299-P751 HydrophobicContact CD2-CG 4.08Å; Y299-P751 HydrophobicContact CE1-CB 4.08Å; Y299-P751 HydrophobicContact CE1-CG 3.67Å; Y299-P751 HydrophobicContact CE2-CB 3.65Å; Y299-P751 HydrophobicContact CE2-CG 4.02Å; Y299-P751 HydrophobicContact CG-CB 4.41Å; Y299-P751 HydrophobicContact CG-CG 3.94Å; Y299-I810 HydrophobicContact CE1-CG2 3.91Å; Y299-W811 HydrophobicContact CD1-CH2 4.33Å; Y299-W811 AromaticContact CD1-CZ3 3.86Å; Y299-W811 HydrophobicContact CD1-CZ3 3.86Å; Y299-W811 HydrophobicContact CD2-CH2 4.36Å; Y299-W811 HydrophobicContact CE1-CE3 4.34Å; Y299-W811 AromaticContact CE1-CH2 3.68Å; Y299-W811 HydrophobicContact CE1-CH2 3.68Å; Y299-W811 AromaticContact CE1-CZ3 3.35Å; Y299-W811 HydrophobicContact CE1-CZ3 3.35Å; Y299-W811 AromaticContact CE2-CH2 3.72Å; Y299-W811 HydrophobicContact CE2-CH2 3.72Å; Y299-W811 HydrophobicContact CE2-CZ3 4.22Å; Y299-W811 HydrophobicContact CG-CZ3 4.47Å; Y299-W811 AromaticContact CZ-CH2 3.34Å; Y299-W811 AromaticContact CZ-CZ3 3.58Å; Y299-W811 WeakPolarHBondContact OH-CH2 3.41Å |
| 300 | L | 89.7 | Confident | 84.3 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 176.5 | -173.6 | 141.3 | 0 | 0 | 0 | 111.3 | F196 Y201 E296 M297 R298 L302 F303 S304 | F196-L300 HydrophobicContact CE2-CB 4.31Å; Y201-L300 HydrophobicContact CD1-CD1 4.17Å; Y201-L300 HydrophobicContact CE1-CD1 3.38Å; Y201-L300 HydrophobicContact CE2-CD1 4.4Å; E296-L300 WeakPolarHBondContact O-CB 3.36Å; E296-L300 PolarHBondContact O-N 3.37Å; M297-L300 HydrophobicContact SD-CD2 4.46Å; R298-L300 VanDerWaalsContact C-N 3.35Å; L300-L302 VanDerWaalsContact C-N 3.33Å; L300-L302 PolarHBondContact O-N 2.92Å; L300-F303 PolarHBondContact O-N 2.81Å; L300-S304 WeakPolarHBondContact O-CB 3.47Å; L300-S304 PolarHBondContact O-N 3.47Å; L300-S304 PolarHBondContact O-OG 2.79Å; L300-S304 VanDerWaalsContact O-OG 3.07Å |
| 301 | K | 90.4 | Very high | 85.5 | Confident | 125 Ų | 125 | 46.9 Ų | 46.9 | 54% | 0.543 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.6 | -75.4 | 172.7 | -178.2 | 175.6 | 0 | 112.1 | M297 R298 S304 S305 | M297-K301 HydrophobicContact CG-CD 4.38Å; M297-K301 WeakPolarHBondContact O-CB 3.47Å; M297-K301 VanDerWaalsContact O-CG 3.28Å; M297-K301 WeakPolarHBondContact O-CG 3.44Å; M297-K301 PolarHBondContact O-N 2.89Å; R298-K301 PolarHBondContact O-N 2.93Å; K301-S304 PolarHBondContact O-N 2.8Å; K301-S305 PolarHBondContact O-N 2.91Å |
| 302 | L | 86.7 | Confident | 86.8 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 179 | -175.1 | 65.4 | 0 | 0 | 0 | 111.2 | R298 Y299 L300 S305 E737 C740 A741 L744 I810 | R298-L302 WeakPolarHBondContact O-CB 3.49Å; R298-L302 PolarHBondContact O-N 2.94Å; Y299-L302 PolarHBondContact O-N 3.3Å; L300-L302 VanDerWaalsContact C-N 3.33Å; L300-L302 PolarHBondContact O-N 2.92Å; L302-S305 WeakPolarHBondContact O-CB 3.48Å; L302-S305 PolarHBondContact O-N 2.95Å; L302-S305 PolarHBondContact O-OG 3.39Å; L302-E737 HydrophobicContact CD1-CG 3.85Å; L302-C740 HydrophobicContact CD1-CB 4.18Å; L302-C740 HydrophobicContact CD2-CB 3.86Å; L302-A741 HydrophobicContact CD1-CB 3.85Å; L302-A741 HydrophobicContact CG-CB 4.13Å; L302-A741 WeakPolarHBondContact O-CB 3.34Å; L302-L744 HydrophobicContact CB-CD2 4.34Å; L302-L744 HydrophobicContact CD2-CD2 4.14Å; L302-L744 HydrophobicContact CG-CD2 4.31Å; L302-I810 HydrophobicContact CD2-CG2 4.17Å |
| 303 | F | 89.2 | Confident | 88 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 176.2 | -171 | -87.9 | 0 | 0 | 0 | 111.5 | V194 F196 I203 I227 Y299 L300 S305 V306 L359 L744 F745 | V194-F303 HydrophobicContact CB-CE2 4.32Å; V194-F303 HydrophobicContact CB-CZ 4.36Å; V194-F303 HydrophobicContact CG1-CE1 4.34Å; V194-F303 HydrophobicContact CG1-CE2 4.34Å; V194-F303 HydrophobicContact CG1-CZ 4.13Å; V194-F303 HydrophobicContact CG2-CD2 4.29Å; V194-F303 HydrophobicContact CG2-CE2 3.89Å; V194-F303 HydrophobicContact CG2-CZ 4.43Å; F196-F303 HydrophobicContact CE1-CB 4.16Å; F196-F303 AromaticContact CE1-CD2 3.99Å; F196-F303 HydrophobicContact CE1-CD2 3.99Å; F196-F303 HydrophobicContact CE1-CG 4.25Å; F196-F303 HydrophobicContact CZ-CB 3.58Å; F196-F303 HydrophobicContact CZ-CD1 4.41Å; F196-F303 AromaticContact CZ-CD2 3.88Å; F196-F303 HydrophobicContact CZ-CD2 3.88Å; F196-F303 AromaticContact CZ-CG 3.71Å; F196-F303 HydrophobicContact CZ-CG 3.71Å; I203-F303 HydrophobicContact CD1-CE1 3.54Å; I203-F303 HydrophobicContact CD1-CZ 3.41Å; I203-F303 VanDerWaalsContact CD1-CZ 3.41Å; I203-F303 HydrophobicContact CG1-CE1 4.26Å; I227-F303 HydrophobicContact CD1-CD1 4.17Å; I227-F303 HydrophobicContact CD1-CE1 4.4Å; Y299-F303 WeakPolarHBondContact O-CB 3.1Å; Y299-F303 PolarHBondContact O-N 2.86Å; L300-F303 PolarHBondContact O-N 2.81Å; F303-S305 PolarHBondContact O-N 3.39Å; F303-V306 WeakPolarHBondContact O-CB 3.38Å; F303-V306 PolarHBondContact O-N 3.14Å; F303-V306 VanDerWaalsContact O-N 3.11Å; F303-L359 HydrophobicContact CE2-CD2 4.36Å; F303-L359 HydrophobicContact CZ-CD1 4.13Å; F303-L744 HydrophobicContact CB-CD2 3.93Å; F303-L744 HydrophobicContact CD2-CD2 4.3Å; F303-L744 HydrophobicContact CD2-CG 4.21Å; F303-F745 HydrophobicContact CE1-CD2 4.32Å; F303-F745 HydrophobicContact CE2-CB 4.29Å; F303-F745 AromaticContact CE2-CD2 3.74Å; F303-F745 HydrophobicContact CE2-CD2 3.74Å; F303-F745 HydrophobicContact CE2-CG 4.4Å; F303-F745 AromaticContact CZ-CD2 3.6Å; F303-F745 HydrophobicContact CZ-CD2 3.6Å; F303-F745 HydrophobicContact CZ-CE2 4.01Å |
| 304 | S | 90.6 | Very high | 88.9 | Confident | 45 Ų | 45 | 38 Ų | 38 | 32% | 0.315 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.1 | -13 | 176 | -63.5 | 0 | 0 | 0 | 0 | 113.9 | L300 K301 V306 | L300-S304 WeakPolarHBondContact O-CB 3.47Å; L300-S304 PolarHBondContact O-N 3.47Å; L300-S304 PolarHBondContact O-OG 2.79Å; L300-S304 VanDerWaalsContact O-OG 3.07Å; K301-S304 PolarHBondContact O-N 2.8Å; S304-V306 PolarHBondContact O-N 3.24Å |
| 305 | S | 87.8 | Confident | 89.6 | Confident | 60 Ų | 60 | 34.9 Ų | 34.9 | 42% | 0.42 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.5 | 172.2 | 80.9 | 0 | 0 | 0 | 0 | 112.9 | K301 L302 F303 D307 A741 | K301-S305 PolarHBondContact O-N 2.91Å; L302-S305 WeakPolarHBondContact O-CB 3.48Å; L302-S305 PolarHBondContact O-N 2.95Å; L302-S305 PolarHBondContact O-OG 3.39Å; F303-S305 PolarHBondContact O-N 3.39Å; S305-D307 PolarHBondContact O-N 2.93Å; S305-D307 VanDerWaalsContact O-N 3.09Å; S305-A741 VanDerWaalsContact OG-CB 3.23Å; S305-A741 WeakPolarHBondContact OG-CB 3.5Å |
| 306 | V | 89.5 | Confident | 90 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 16% | 0.164 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -75.2 | 95.9 | 167.1 | -179.3 | 0 | 0 | 0 | 0 | 108 | F303 S304 L308 F312 A741 F745 | F303-V306 WeakPolarHBondContact O-CB 3.38Å; F303-V306 PolarHBondContact O-N 3.14Å; F303-V306 VanDerWaalsContact O-N 3.11Å; S304-V306 PolarHBondContact O-N 3.24Å; V306-L308 HydrophobicContact CG1-CD2 4.42Å; V306-L308 PolarHBondContact O-N 3.32Å; V306-L308 VanDerWaalsContact O-N 3.07Å; V306-F312 HydrophobicContact CG1-CE2 4.3Å; V306-F312 HydrophobicContact CG1-CZ 4.26Å; V306-A741 HydrophobicContact CG2-CB 3.75Å; V306-F745 HydrophobicContact CB-CD2 4.42Å; V306-F745 HydrophobicContact CG1-CD2 4.13Å; V306-F745 HydrophobicContact CG1-CG 4.27Å; V306-F745 HydrophobicContact CG2-CB 4.09Å |
| 307 | D | 88.9 | Confident | 90.1 | Very high | 87 Ų | 87 | 33.5 Ų | 33.5 | 47% | 0.465 | 18% | 0.179 | S | C | . | . | trans | -71.6 | 101.6 | 178.1 | 179.6 | 12.6 | 0 | 0 | 0 | 110.9 | S305 A309 S310 | S305-D307 PolarHBondContact O-N 2.93Å; S305-D307 VanDerWaalsContact O-N 3.09Å; D307-A309 PolarHBondContact O-N 3.42Å; D307-A309 WeakPolarHBondContact OD1-CA 3.34Å; D307-A309 VanDerWaalsContact OD1-CB 3.28Å; D307-A309 WeakPolarHBondContact OD1-CB 3.23Å; D307-A309 PolarHBondContact OD1-N 2.88Å; D307-S310 WeakPolarHBondContact O-CB 3.35Å; D307-S310 PolarHBondContact O-N 2.81Å; D307-S310 PolarHBondContact O-OG 2.91Å; D307-S310 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 308 | L | 91.7 | Very high | 90.3 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -19.1 | 176.3 | -66.8 | 178.9 | 0 | 0 | 0 | 113 | I203 V222 T225 V306 S310 F312 L386 F745 | I203-L308 HydrophobicContact CG2-CD1 4.04Å; V222-L308 WeakPolarHBondContact CB-O 3.39Å; V222-L308 HydrophobicContact CG1-CB 4.33Å; T225-L308 HydrophobicContact CG2-CB 3.73Å; T225-L308 HydrophobicContact CG2-CD1 3.86Å; T225-L308 HydrophobicContact CG2-CG 4.44Å; V306-L308 HydrophobicContact CG1-CD2 4.42Å; V306-L308 PolarHBondContact O-N 3.32Å; V306-L308 VanDerWaalsContact O-N 3.07Å; L308-S310 PolarHBondContact O-N 3.27Å; L308-F312 HydrophobicContact CD2-CD1 4.15Å; L308-F312 HydrophobicContact CD2-CD2 3.88Å; L308-F312 HydrophobicContact CD2-CE1 4.07Å; L308-F312 HydrophobicContact CD2-CE2 3.8Å; L308-F312 HydrophobicContact CD2-CG 4.05Å; L308-F312 HydrophobicContact CD2-CZ 3.89Å; L308-F312 WeakPolarHBondContact O-CB 3.43Å; L308-L386 HydrophobicContact CD2-CD1 4.31Å; L308-F745 HydrophobicContact CD2-CE2 3.76Å; L308-F745 HydrophobicContact CD2-CZ 3.84Å |
| 309 | A | 89.6 | Confident | 90.4 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 19% | 0.19 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K221 V222 E223 D307 N311 | K221-A309 WeakPolarHBondContact CE-O 3.46Å; V222-A309 WeakPolarHBondContact O-CA 3.46Å; E223-A309 VanDerWaalsContact O-CB 3.31Å; E223-A309 WeakPolarHBondContact O-CB 3.42Å; D307-A309 PolarHBondContact O-N 3.42Å; D307-A309 WeakPolarHBondContact OD1-CA 3.34Å; D307-A309 VanDerWaalsContact OD1-CB 3.28Å; D307-A309 WeakPolarHBondContact OD1-CB 3.23Å; D307-A309 PolarHBondContact OD1-N 2.88Å; A309-N311 PolarHBondContact O-N 3.37Å |
| 310 | S | 87.7 | Confident | 90.7 | Very high | 45 Ų | 45 | 26.5 Ų | 26.5 | 32% | 0.315 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 88.7 | 179.6 | 77 | 0 | 0 | 0 | 0 | 112.2 | D307 L308 F312 | D307-S310 WeakPolarHBondContact O-CB 3.35Å; D307-S310 PolarHBondContact O-N 2.81Å; D307-S310 PolarHBondContact O-OG 2.91Å; D307-S310 WeakPolarHBondContact OD2-CB 3.29Å; L308-S310 PolarHBondContact O-N 3.27Å; S310-F312 PolarHBondContact O-N 2.99Å |
| 311 | N | 92.7 | Very high | 90.8 | Very high | 24 Ų | 24 | 25 Ų | 25 | 13% | 0.128 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 28.5 | 168.9 | -32.6 | -69.3 | 0 | 0 | 0 | 115.9 | A309 Y313 H388 G389 T691 Q695 | A309-N311 PolarHBondContact O-N 3.37Å; N311-Y313 HydrophobicContact CB-CE2 4.12Å; N311-Y313 WeakPolarHBondContact O-CD2 3.49Å; N311-Y313 VanDerWaalsContact O-CE2 3.22Å; N311-Y313 WeakPolarHBondContact O-CE2 3.21Å; N311-H388 PolarHBondContact O-CD2 3Å; N311-G389 VanDerWaalsContact CB-O 3.32Å; N311-G389 WeakPolarHBondContact CB-O 3.33Å; N311-G389 PolarHBondContact O-N 2.85Å; N311-T691 HydrophobicContact CB-CG2 4.23Å; N311-T691 WeakPolarHBondContact OD1-CG2 3.4Å; N311-Q695 VanDerWaalsContact CB-NE2 3.28Å; N311-Q695 PolarHBondContact ND2-NE2 3.04Å |
| 312 | F | 97.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 134.3 | 163.7 | -71.2 | -97.3 | 0 | 0 | 0 | 110.8 | V222 V306 L308 S310 W355 L386 F387 H388 F745 | V222-F312 HydrophobicContact CG2-CB 4.32Å; V222-F312 PolarHBondContact N-O 3.05Å; V306-F312 HydrophobicContact CG1-CE2 4.3Å; V306-F312 HydrophobicContact CG1-CZ 4.26Å; L308-F312 HydrophobicContact CD2-CD1 4.15Å; L308-F312 HydrophobicContact CD2-CD2 3.88Å; L308-F312 HydrophobicContact CD2-CE1 4.07Å; L308-F312 HydrophobicContact CD2-CE2 3.8Å; L308-F312 HydrophobicContact CD2-CG 4.05Å; L308-F312 HydrophobicContact CD2-CZ 3.89Å; L308-F312 WeakPolarHBondContact O-CB 3.43Å; S310-F312 PolarHBondContact O-N 2.99Å; F312-W355 HydrophobicContact CE1-CB 3.96Å; F312-W355 HydrophobicContact CE1-CD2 4.33Å; F312-W355 HydrophobicContact CE1-CE3 4.15Å; F312-W355 HydrophobicContact CE1-CG 4.25Å; F312-W355 HydrophobicContact CZ-CE3 4.18Å; F312-L386 HydrophobicContact CD1-CB 4.21Å; F312-L386 HydrophobicContact CD1-CD1 4.34Å; F312-F387 CarbonylContact C-O 3.11Å; F312-F387 WeakPolarHBondContact CA-O 3.23Å; F312-H388 HydrophobicContact CD1-CB 4Å; F312-H388 HydrophobicContact CE1-CB 3.75Å; F312-H388 AromaticContact CE2-CD2 3.8Å; F312-H388 HydrophobicContact CZ-CB 4.15Å; F312-H388 AromaticContact CZ-CD2 3.96Å; F312-F745 HydrophobicContact CE1-CE1 4.35Å; F312-F745 HydrophobicContact CE1-CZ 4.43Å |
| 313 | Y | 97.7 | Very high | 91.1 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156 | -175.3 | -54.1 | -89.2 | 0 | 0 | 0 | 110.4 | V211 C220 K221 N311 F387 V391 | V211-Y313 HydrophobicContact CG2-CD1 3.86Å; V211-Y313 HydrophobicContact CG2-CE1 3.9Å; C220-Y313 CarbonylContact O-C 3.51Å; C220-Y313 WeakPolarHBondContact O-CA 3.41Å; C220-Y313 WeakPolarHBondContact O-CB 3.34Å; K221-Y313 HydrophobicContact CB-CD1 3.78Å; K221-Y313 HydrophobicContact CB-CE1 3.82Å; K221-Y313 HydrophobicContact CD-CE1 4.15Å; K221-Y313 HydrophobicContact CG-CD1 4.08Å; K221-Y313 HydrophobicContact CG-CE1 3.83Å; N311-Y313 HydrophobicContact CB-CE2 4.12Å; N311-Y313 WeakPolarHBondContact O-CD2 3.49Å; N311-Y313 VanDerWaalsContact O-CE2 3.22Å; N311-Y313 WeakPolarHBondContact O-CE2 3.21Å; Y313-F387 PolarHBondContact N-O 3.25Å; Y313-F387 WeakPolarHBondContact O-CD2 3.23Å; Y313-F387 PolarHBondContact O-N 2.9Å; Y313-V391 HydrophobicContact CD1-CB 3.98Å; Y313-V391 HydrophobicContact CD1-CG2 3.88Å; Y313-V391 HydrophobicContact CD2-CG2 4.02Å; Y313-V391 HydrophobicContact CE1-CB 3.77Å; Y313-V391 HydrophobicContact CE1-CG2 4.08Å; Y313-V391 HydrophobicContact CE2-CG2 4.22Å; Y313-V391 HydrophobicContact CG-CB 4.42Å; Y313-V391 HydrophobicContact CG-CG2 3.83Å; Y313-V391 PolarHBondContact OH-N 3.29Å |
| 314 | F | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 165.9 | 173.8 | 66.4 | -82.2 | 0 | 0 | 0 | 109.8 | I205 Y208 C220 V222 Y316 T384 L385 L386 | I205-F314 HydrophobicContact CD1-CD1 4.15Å; I205-F314 HydrophobicContact CD1-CE1 3.99Å; I205-F314 HydrophobicContact CD1-CZ 4.29Å; I205-F314 HydrophobicContact CG2-CE1 4.36Å; I205-F314 HydrophobicContact CG2-CZ 4.49Å; Y208-F314 HydrophobicContact CD1-CZ 4.26Å; Y208-F314 HydrophobicContact CD2-CZ 4.4Å; Y208-F314 AromaticContact CG-CZ 3.9Å; Y208-F314 HydrophobicContact CG-CZ 3.9Å; C220-F314 HydrophobicContact CB-CD1 4.16Å; C220-F314 HydrophobicContact CB-CD2 4.27Å; C220-F314 HydrophobicContact CB-CE1 3.75Å; C220-F314 HydrophobicContact CB-CE2 3.88Å; C220-F314 HydrophobicContact CB-CG 4.4Å; C220-F314 HydrophobicContact CB-CZ 3.61Å; C220-F314 PolarHBondContact N-O 3.04Å; C220-F314 PolarHBondContact O-N 2.84Å; V222-F314 HydrophobicContact CG2-CD1 3.74Å; V222-F314 HydrophobicContact CG2-CE1 3.78Å; F314-Y316 HydrophobicContact CD2-CE2 4.42Å; F314-Y316 HydrophobicContact CE2-CD2 4.28Å; F314-Y316 HydrophobicContact CE2-CE1 4.15Å; F314-Y316 AromaticContact CE2-CE2 3.59Å; F314-Y316 HydrophobicContact CE2-CE2 3.59Å; F314-Y316 AromaticContact CE2-CZ 3.52Å; F314-Y316 HydrophobicContact CZ-CE2 4.44Å; F314-T384 HydrophobicContact CB-CG2 3.72Å; F314-T384 HydrophobicContact CD2-CG2 3.46Å; F314-T384 VanDerWaalsContact CD2-CG2 3.46Å; F314-T384 HydrophobicContact CE2-CG2 4.2Å; F314-T384 HydrophobicContact CG-CG2 3.67Å; F314-L385 VanDerWaalsContact CB-O 3.27Å; F314-L385 WeakPolarHBondContact CB-O 3.49Å; F314-L386 HydrophobicContact CB-CD2 4.09Å; F314-L386 HydrophobicContact CD1-CD2 4.29Å; F314-L386 HydrophobicContact CG-CD2 4.47Å |
| 315 | S | 93.3 | Very high | 91.1 | Very high | 13 Ų | 13 | 19.9 Ų | 19.9 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | trans | -143.3 | 146 | 171.4 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | Q218 T317 Y318 | Q218-S315 VanDerWaalsContact O-CB 3.27Å; Q218-S315 WeakPolarHBondContact O-CB 3.31Å; Q218-S315 PolarHBondContact O-OG 2.82Å; S315-T317 PolarHBondContact OG-N 3.07Å; S315-Y318 VanDerWaalsContact CB-O 3.24Å; S315-Y318 WeakPolarHBondContact CB-O 3.4Å; S315-Y318 PolarHBondContact OG-N 2.9Å | ||
| 316 | Y | 89.4 | Confident | 91 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -83.5 | -19.2 | 176 | -64.1 | -74.4 | 0 | 0 | 0 | 112.8 | I6 N7 K10 Y188 F314 | I6-Y316 PolarHBondContact N-O 3.14Å; N7-Y316 HydrophobicContact CB-CD1 4.36Å; N7-Y316 PolarHBondContact N-O 3.06Å; N7-Y316 WeakPolarHBondContact O-CB 3.49Å; N7-Y316 WeakPolarHBondContact O-CD1 3.19Å; K10-Y316 HydrophobicContact CB-CE1 4.35Å; K10-Y316 HydrophobicContact CD-CD1 4.4Å; K10-Y316 HydrophobicContact CD-CD2 3.67Å; K10-Y316 HydrophobicContact CD-CE2 3.89Å; K10-Y316 HydrophobicContact CD-CG 3.92Å; K10-Y316 HydrophobicContact CG-CD1 4.02Å; K10-Y316 HydrophobicContact CG-CD2 4.18Å; K10-Y316 HydrophobicContact CG-CE1 4.16Å; K10-Y316 HydrophobicContact CG-CE2 4.28Å; K10-Y316 HydrophobicContact CG-CG 4.03Å; Y188-Y316 PolarHBondContact O-OH 3.06Å; F314-Y316 HydrophobicContact CD2-CE2 4.42Å; F314-Y316 HydrophobicContact CE2-CD2 4.28Å; F314-Y316 HydrophobicContact CE2-CE1 4.15Å; F314-Y316 AromaticContact CE2-CE2 3.59Å; F314-Y316 HydrophobicContact CE2-CE2 3.59Å; F314-Y316 AromaticContact CE2-CZ 3.52Å; F314-Y316 HydrophobicContact CZ-CE2 4.44Å |
| 317 | T | 86.8 | Confident | 90.8 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 7% | 0.074 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -130.1 | -19.2 | -168.8 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | V3 Y5 H217 S315 | V3-T317 HydrophobicContact CG1-CG2 4.06Å; Y5-T317 HydrophobicContact CD1-CG2 3.28Å; Y5-T317 HydrophobicContact CE1-CG2 3.39Å; Y5-T317 HydrophobicContact CG-CG2 4.06Å; H217-T317 WeakPolarHBondContact CA-OG1 3.49Å; H217-T317 PolarHBondContact CE1-O 3.24Å; H217-T317 VanDerWaalsContact ND1-C 3.3Å; H217-T317 WeakPolarHBondContact ND1-CB 3.29Å; H217-T317 PolarHBondContact ND1-O 3.22Å; H217-T317 PolarHBondContact ND1-OG1 3.3Å; S315-T317 PolarHBondContact OG-N 3.07Å |
| 318 | Y | 89.4 | Confident | 90.5 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -120 | 136.4 | -178.8 | -177 | -95.2 | 0 | 0 | 0 | 111 | I6 L214 H217 S315 L320 L324 N327 | I6-Y318 WeakPolarHBondContact CD1-O 3.34Å; L214-Y318 HydrophobicContact CD1-CD1 4.41Å; L214-Y318 HydrophobicContact CD1-CD2 4.46Å; L214-Y318 HydrophobicContact CD1-CE1 4.06Å; L214-Y318 HydrophobicContact CD1-CE2 4.12Å; H217-Y318 HydrophobicContact CB-CD2 4.29Å; H217-Y318 HydrophobicContact CB-CG 4.28Å; H217-Y318 AromaticContact CG-CD2 3.98Å; S315-Y318 VanDerWaalsContact CB-O 3.24Å; S315-Y318 WeakPolarHBondContact CB-O 3.4Å; S315-Y318 PolarHBondContact OG-N 2.9Å; Y318-L320 HydrophobicContact CD1-CD2 3.81Å; Y318-L320 HydrophobicContact CD1-CG 4.26Å; Y318-L320 HydrophobicContact CE1-CD2 4.09Å; Y318-L320 PolarHBondContact O-N 3.14Å; Y318-L324 HydrophobicContact CE2-CD1 4.32Å; Y318-L324 WeakPolarHBondContact OH-CA 3.37Å; Y318-N327 HydrophobicContact CE2-CB 4.08Å; Y318-N327 WeakPolarHBondContact CE2-ND2 3.45Å; Y318-N327 PolarHBondContact OH-ND2 3.27Å; Y318-N327 VanDerWaalsContact OH-ND2 3.13Å |
| 319 | D | 88.5 | Confident | 89.5 | Confident | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | trans | -85.1 | 114.4 | 176.1 | 177.6 | 53.5 | 0 | 0 | 0 | 111 | I6 S321 H322 N327 Y347 | I6-D319 HydrophobicContact CD1-CB 3.83Å; D319-S321 VanDerWaalsContact C-N 3.26Å; D319-S321 WeakPolarHBondContact OD1-CB 3.28Å; D319-S321 PolarHBondContact OD1-N 3.46Å; D319-S321 PolarHBondContact OD1-OG 3.39Å; D319-S321 VanDerWaalsContact OD1-OG 3.05Å; D319-S321 VanDerWaalsContact OD2-CA 3.28Å; D319-S321 WeakPolarHBondContact OD2-CA 3.45Å; D319-S321 VanDerWaalsContact OD2-CB 3.26Å; D319-S321 WeakPolarHBondContact OD2-CB 3.47Å; D319-S321 PolarHBondContact OD2-N 2.9Å; D319-S321 PolarHBondContact OD2-OG 3.32Å; D319-H322 IonicContact OD2-CG 2.85Å; D319-H322 PolarHBondContact OD2-N 2.92Å; D319-H322 IonicContact OD2-ND1 2.63Å; D319-H322 PolarHBondContact OD2-ND1 2.84Å; D319-N327 PolarHBondContact O-ND2 2.88Å; D319-Y347 HydrophobicContact CB-CD1 4.09Å; D319-Y347 HydrophobicContact CB-CD2 4.47Å; D319-Y347 HydrophobicContact CB-CE1 3.2Å; D319-Y347 HydrophobicContact CB-CE2 3.63Å; D319-Y347 WeakPolarHBondContact CB-OH 3.46Å; D319-Y347 WeakPolarHBondContact OD1-CE1 3.22Å; D319-Y347 VanDerWaalsContact OD2-CE1 3.28Å; D319-Y347 WeakPolarHBondContact OD2-CE1 3.12Å; D319-Y347 PolarHBondContact OD2-OH 2.85Å | ||
| 320 | L | 92.2 | Very high | 87.9 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7.2 | 175.5 | -64 | 168.7 | 0 | 0 | 0 | 112.4 | I219 Y318 F387 I408 R410 | I219-L320 HydrophobicContact CD1-CD2 3.74Å; I219-L320 HydrophobicContact CG1-CD2 3.99Å; I219-L320 HydrophobicContact CG2-CD1 4.09Å; I219-L320 HydrophobicContact CG2-CD2 4.17Å; Y318-L320 HydrophobicContact CD1-CD2 3.81Å; Y318-L320 HydrophobicContact CD1-CG 4.26Å; Y318-L320 HydrophobicContact CE1-CD2 4.09Å; Y318-L320 PolarHBondContact O-N 3.14Å; L320-F387 HydrophobicContact CB-CB 4.48Å; L320-F387 HydrophobicContact CB-CD1 3.92Å; L320-F387 HydrophobicContact CB-CD2 3.57Å; L320-F387 HydrophobicContact CB-CE1 4.02Å; L320-F387 HydrophobicContact CB-CE2 3.66Å; L320-F387 HydrophobicContact CB-CG 3.69Å; L320-F387 HydrophobicContact CB-CZ 3.87Å; L320-F387 HydrophobicContact CD1-CD2 3.64Å; L320-F387 HydrophobicContact CD1-CE2 4.15Å; L320-F387 HydrophobicContact CD1-CG 4.22Å; L320-F387 HydrophobicContact CG-CD2 4.21Å; L320-F387 HydrophobicContact CG-CE2 4.38Å; L320-I408 HydrophobicContact CD2-CD1 4.37Å; L320-R410 VanDerWaalsContact O-CD 3.27Å; L320-R410 WeakPolarHBondContact O-CD 3.49Å; L320-R410 PolarHBondContact O-NE 2.85Å |
| 321 | S | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -22.3 | 178.7 | 84.8 | 0 | 0 | 0 | 0 | 113.4 | D319 P349 N350 Y353 F387 | D319-S321 VanDerWaalsContact C-N 3.26Å; D319-S321 WeakPolarHBondContact OD1-CB 3.28Å; D319-S321 PolarHBondContact OD1-N 3.46Å; D319-S321 PolarHBondContact OD1-OG 3.39Å; D319-S321 VanDerWaalsContact OD1-OG 3.05Å; D319-S321 VanDerWaalsContact OD2-CA 3.28Å; D319-S321 WeakPolarHBondContact OD2-CA 3.45Å; D319-S321 VanDerWaalsContact OD2-CB 3.26Å; D319-S321 WeakPolarHBondContact OD2-CB 3.47Å; D319-S321 PolarHBondContact OD2-N 2.9Å; D319-S321 PolarHBondContact OD2-OG 3.32Å; S321-P349 VanDerWaalsContact OG-CA 3.26Å; S321-P349 WeakPolarHBondContact OG-CA 3.29Å; S321-P349 WeakPolarHBondContact OG-CB 3.08Å; S321-N350 PolarHBondContact OG-N 3.17Å; S321-Y353 VanDerWaalsContact O-CD2 3.24Å; S321-Y353 WeakPolarHBondContact O-CD2 3.34Å; S321-F387 VanDerWaalsContact N-CE1 3.33Å |
| 322 | H | 91.1 | Very high | 83.5 | Confident | 18 Ų | 18 | 31.8 Ų | 31.8 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -119 | 165.3 | 177.7 | -62.5 | 89.2 | 0 | 0 | 0 | 113.3 | D319 Y326 Y347 I348 N350 R410 | D319-H322 IonicContact OD2-CG 2.85Å; D319-H322 PolarHBondContact OD2-N 2.92Å; D319-H322 IonicContact OD2-ND1 2.63Å; D319-H322 PolarHBondContact OD2-ND1 2.84Å; H322-Y326 HydrophobicContact CB-CD1 3.38Å; H322-Y326 HydrophobicContact CB-CE1 4.07Å; H322-Y326 HydrophobicContact CB-CG 3.8Å; H322-Y326 AromaticContact CD2-CD1 3.61Å; H322-Y326 AromaticContact CD2-CD2 4Å; H322-Y326 AromaticContact CD2-CE1 3.61Å; H322-Y326 AromaticContact CD2-CG 3.79Å; H322-Y326 AromaticContact CD2-CZ 3.82Å; H322-Y326 AromaticContact CE1-CE1 3.84Å; H322-Y326 AromaticContact CG-CD1 3.37Å; H322-Y326 AromaticContact CG-CE1 3.55Å; H322-Y326 AromaticContact CG-CG 3.9Å; H322-Y326 AromaticContact ND1-CD1 3.94Å; H322-Y326 AromaticContact ND1-CE1 3.71Å; H322-Y326 AromaticContact NE2-CE1 3.83Å; H322-Y326 AromaticContact NE2-CZ 3.79Å; H322-Y347 AromaticContact ND1-CZ 3.74Å; H322-Y347 PolarHBondContact ND1-OH 2.89Å; H322-I348 PolarHBondContact CE1-O 2.8Å; H322-N350 PolarHBondContact CE1-N 3.27Å; H322-R410 VanDerWaalsContact O-CZ 3.27Å; H322-R410 PolarHBondContact O-NH2 2.74Å |
| 323 | S | 92.6 | Very high | 80.5 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | trans | -72.4 | 161.4 | 175.1 | 68.1 | 0 | 0 | 0 | 0 | 112.6 | Q325 Y326 N327 E438 | S323-Q325 PolarHBondContact O-N 3.12Å; S323-Y326 WeakPolarHBondContact O-CB 3.38Å; S323-Y326 PolarHBondContact O-N 3.23Å; S323-Y326 VanDerWaalsContact O-N 3.15Å; S323-Y326 PolarHBondContact OG-N 3.31Å; S323-N327 PolarHBondContact O-N 3.44Å; S323-N327 PolarHBondContact O-ND2 2.84Å; S323-E438 WeakPolarHBondContact CA-OE2 3.36Å | ||
| 324 | L | 91.9 | Very high | 77.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.8 | -39.3 | 173.8 | -177.6 | 70.8 | 0 | 0 | 0 | 111.6 | Y318 Y326 N327 M328 E438 I440 L449 V454 Y603 | Y318-L324 HydrophobicContact CE2-CD1 4.32Å; Y318-L324 WeakPolarHBondContact OH-CA 3.37Å; L324-Y326 VanDerWaalsContact C-N 3.29Å; L324-Y326 PolarHBondContact O-N 3.05Å; L324-N327 PolarHBondContact O-N 2.79Å; L324-M328 HydrophobicContact CD1-CG 3.75Å; L324-M328 HydrophobicContact CD1-SD 4.37Å; L324-M328 HydrophobicContact CG-CG 3.91Å; L324-M328 VanDerWaalsContact O-CB 3.28Å; L324-M328 WeakPolarHBondContact O-CB 3.27Å; L324-M328 WeakPolarHBondContact O-CG 3.37Å; L324-M328 PolarHBondContact O-N 3.24Å; L324-E438 WeakPolarHBondContact CB-OE1 3.27Å; L324-E438 PolarHBondContact N-OE1 3.35Å; L324-I440 HydrophobicContact CB-CD1 4.14Å; L324-I440 HydrophobicContact CB-CG1 4.43Å; L324-I440 HydrophobicContact CD2-CG1 4.45Å; L324-I440 HydrophobicContact CD2-CG2 3.88Å; L324-L449 HydrophobicContact CD1-CD2 3.62Å; L324-V454 HydrophobicContact CD2-CB 4.14Å; L324-V454 HydrophobicContact CD2-CG2 4.05Å; L324-Y603 HydrophobicContact CD2-CD1 4.39Å; L324-Y603 HydrophobicContact CD2-CE1 4.32Å; L324-Y603 HydrophobicContact CG-CE1 4.27Å |
| 325 | Q | 89.6 | Confident | 74.5 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.2 | -48 | 176.9 | 177.9 | 169.4 | -61.3 | 0 | 0 | 110.6 | S323 M328 E329 Y603 Q629 | S323-Q325 PolarHBondContact O-N 3.12Å; Q325-M328 PolarHBondContact O-N 3.01Å; Q325-E329 WeakPolarHBondContact O-CG 3.42Å; Q325-E329 PolarHBondContact O-N 3.02Å; Q325-Y603 HydrophobicContact CB-CD1 4.05Å; Q325-Y603 HydrophobicContact CB-CD2 3.81Å; Q325-Y603 HydrophobicContact CB-CE1 4.4Å; Q325-Y603 HydrophobicContact CB-CE2 4.19Å; Q325-Y603 HydrophobicContact CB-CG 3.73Å; Q325-Y603 HydrophobicContact CG-CD2 3.56Å; Q325-Y603 HydrophobicContact CG-CE2 3.86Å; Q325-Y603 HydrophobicContact CG-CG 4.02Å; Q325-Q629 PolarHBondContact NE2-O 3.38Å; Q325-Q629 VanDerWaalsContact NE2-O 3.12Å |
| 326 | Y | 85.3 | Confident | 71.7 | Confident | 68 Ų | 68 | 61.6 Ų | 61.6 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 177.4 | -177.6 | -88.4 | 0 | 0 | 0 | 112 | H322 S323 L324 M328 E329 Y347 | H322-Y326 HydrophobicContact CB-CD1 3.38Å; H322-Y326 HydrophobicContact CB-CE1 4.07Å; H322-Y326 HydrophobicContact CB-CG 3.8Å; H322-Y326 AromaticContact CD2-CD1 3.61Å; H322-Y326 AromaticContact CD2-CD2 4Å; H322-Y326 AromaticContact CD2-CE1 3.61Å; H322-Y326 AromaticContact CD2-CG 3.79Å; H322-Y326 AromaticContact CD2-CZ 3.82Å; H322-Y326 AromaticContact CE1-CE1 3.84Å; H322-Y326 AromaticContact CG-CD1 3.37Å; H322-Y326 AromaticContact CG-CE1 3.55Å; H322-Y326 AromaticContact CG-CG 3.9Å; H322-Y326 AromaticContact ND1-CD1 3.94Å; H322-Y326 AromaticContact ND1-CE1 3.71Å; H322-Y326 AromaticContact NE2-CE1 3.83Å; H322-Y326 AromaticContact NE2-CZ 3.79Å; S323-Y326 WeakPolarHBondContact O-CB 3.38Å; S323-Y326 PolarHBondContact O-N 3.23Å; S323-Y326 VanDerWaalsContact O-N 3.15Å; S323-Y326 PolarHBondContact OG-N 3.31Å; L324-Y326 VanDerWaalsContact C-N 3.29Å; L324-Y326 PolarHBondContact O-N 3.05Å; Y326-M328 PolarHBondContact O-N 2.98Å; Y326-E329 PolarHBondContact O-N 3.13Å; Y326-Y347 HydrophobicContact CE1-CE2 4.47Å |
| 327 | N | 85.7 | Confident | 69.1 | Low | 26 Ų | 26 | 74 Ų | 74 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -21.8 | -178.2 | -71.7 | -27.5 | 0 | 0 | 0 | 113.9 | Y318 D319 S323 L324 Y347 | Y318-N327 HydrophobicContact CE2-CB 4.08Å; Y318-N327 WeakPolarHBondContact CE2-ND2 3.45Å; Y318-N327 PolarHBondContact OH-ND2 3.27Å; Y318-N327 VanDerWaalsContact OH-ND2 3.13Å; D319-N327 PolarHBondContact O-ND2 2.88Å; S323-N327 PolarHBondContact O-N 3.44Å; S323-N327 PolarHBondContact O-ND2 2.84Å; L324-N327 PolarHBondContact O-N 2.79Å; N327-Y347 PolarHBondContact OD1-OH 2.84Å |
| 328 | M | 81.1 | Confident | 66.6 | Low | 23 Ų | 23 | 81.2 Ų | 81.2 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -94.5 | -13.8 | 178.7 | -67.8 | -72.4 | -72.6 | 0 | 0 | 113.4 | L324 Q325 Y326 L449 R450 V454 Y603 | L324-M328 HydrophobicContact CD1-CG 3.75Å; L324-M328 HydrophobicContact CD1-SD 4.37Å; L324-M328 HydrophobicContact CG-CG 3.91Å; L324-M328 VanDerWaalsContact O-CB 3.28Å; L324-M328 WeakPolarHBondContact O-CB 3.27Å; L324-M328 WeakPolarHBondContact O-CG 3.37Å; L324-M328 PolarHBondContact O-N 3.24Å; Q325-M328 PolarHBondContact O-N 3.01Å; Y326-M328 PolarHBondContact O-N 2.98Å; M328-L449 HydrophobicContact SD-CD2 4.26Å; M328-L449 HydrophobicContact SD-CG 4.31Å; M328-R450 HydrophobicContact CE-CB 4.38Å; M328-R450 HydrophobicContact CE-CG 3.96Å; M328-R450 HydrophobicContact SD-CG 3.83Å; M328-V454 HydrophobicContact CE-CG2 3.95Å; M328-Y603 HydrophobicContact CB-CE1 4.32Å; M328-Y603 WeakPolarHBondContact CB-OH 3.26Å; M328-Y603 HydrophobicContact CG-CE1 4.4Å |
| 329 | E | 71.7 | Confident | 63.8 | Low | 50 Ų | 50 | 88.5 Ų | 88.5 | 23% | 0.234 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -64.1 | 135.6 | 176.7 | -84.7 | -175.2 | 166.4 | 0 | 0 | 110.8 | Q325 Y326 L331 K628 | Q325-E329 WeakPolarHBondContact O-CG 3.42Å; Q325-E329 PolarHBondContact O-N 3.02Å; Y326-E329 PolarHBondContact O-N 3.13Å; E329-L331 PolarHBondContact O-N 2.84Å; E329-K628 IonicContact OE1-NZ 2.79Å; E329-K628 PolarHBondContact OE1-NZ 3.3Å |
| 330 | P | 56.2 | Low | 61.3 | Low | 83 Ų | 83 | 96.2 Ų | 96.2 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | trans | -70.8 | 131.6 | 179.3 | 29.5 | -33.5 | 0 | 0 | 0 | 109.8 | F332 | P330-F332 HydrophobicContact CB-CD2 3.53Å; P330-F332 HydrophobicContact CB-CE2 3.83Å; P330-F332 HydrophobicContact CG-CD2 4.03Å; P330-F332 PolarHBondContact O-N 3.49Å | ||
| 331 | L | 48.8 | Very low | 58.4 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 57% | 0.571 | 48% | 0.478 | S | S | * | . | trans | -69.8 | 52.6 | 171.3 | -77.7 | 146 | 0 | 0 | 0 | 111.1 | E329 K333 | E329-L331 PolarHBondContact O-N 2.84Å; L331-K333 PolarHBondContact O-N 3.48Å | ||
| 332 | F | 38.9 | Very low | 55.8 | Low | 166 Ų | 166 | 105.7 Ų | 105.7 | 73% | 0.728 | 50% | 0.501 | S | S | * | . | trans | -91.4 | 96.9 | 169.1 | -72.7 | -64.7 | 0 | 0 | 0 | 108.6 | P330 S334 | P330-F332 HydrophobicContact CB-CD2 3.53Å; P330-F332 HydrophobicContact CB-CE2 3.83Å; P330-F332 HydrophobicContact CG-CD2 4.03Å; P330-F332 PolarHBondContact O-N 3.49Å; F332-S334 PolarHBondContact O-N 3.21Å | ||
| 333 | K | 34.9 | Very low | 53 | Low | 164 Ų | 164 | 112.3 Ų | 112.3 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | trans | -74.7 | 107.1 | 159.4 | -72.3 | -178 | 178.4 | 174.1 | 0 | 106.9 | L331 | L331-K333 PolarHBondContact O-N 3.48Š| ||
| 334 | S | 31 | Very low | 50.3 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 72% | 0.72 | 54% | 0.544 | S | S | * | . | trans | -66.4 | 151.9 | 172.6 | 60.5 | 0 | 0 | 0 | 0 | 111 | F332 | F332-S334 PolarHBondContact O-N 3.21Š| ||
| 335 | D | 35.6 | Very low | 48 | Very low | 149 Ų | 149 | 116.3 Ų | 116.3 | 80% | 0.797 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 67 | 73.6 | 166.4 | -63.9 | -17.6 | 0 | 0 | 0 | 118.7 | ||
| 336 | R | 35.1 | Very low | 45.9 | Very low | 241 Ų | 241 | 119.2 Ų | 119.2 | 91% | 0.909 | 57% | 0.574 | S | S | * | * | -167.2 | 123.1 | 125.3 | -96.1 | 155 | -160 | -135.7 | 6.6 | 108.4 | E338 | R336-E338 PolarHBondContact O-N 3.39Š| |||
| 337 | R | 33.7 | Very low | 44.7 | Very low | 262 Ų | 262 | 119.6 Ų | 119.6 | 99% | 0.989 | 58% | 0.575 | S | S | * | * | trans | -68.5 | 29.8 | -175.8 | -79.6 | -177 | 173.1 | 169.7 | -1.2 | 114.7 | ||||
| 338 | E | 35.5 | Very low | 44.1 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 76% | 0.762 | 59% | 0.585 | S | S | * | * | trans | -119.9 | 104.8 | -178.2 | -70.2 | -172.9 | 177.1 | 0 | 0 | 110.9 | R336 | R336-E338 PolarHBondContact O-N 3.39Š| ||
| 339 | H | 30.7 | Very low | 44.1 | Very low | 160 Ų | 160 | 121 Ų | 121 | 74% | 0.741 | 58% | 0.583 | S | S | * | * | trans | 75.5 | 123.5 | 161.6 | -61.2 | -72.9 | 0 | 0 | 0 | 119.3 | H341 | H339-H341 PolarHBondContact O-N 3.29Š| ||
| 340 | I | 35.3 | Very low | 44.8 | Very low | 168 Ų | 168 | 119.5 Ų | 119.5 | 86% | 0.862 | 58% | 0.576 | S | S | * | * | trans | -59.9 | 75.1 | 174 | -57.9 | 161.7 | 0 | 0 | 0 | 110 | ||||
| 341 | H | 31.3 | Very low | 46.1 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | trans | -115.9 | 14.9 | 168.8 | -92 | -74.1 | 0 | 0 | 0 | 112.3 | H339 L343 T344 | H339-H341 PolarHBondContact O-N 3.29Å; H341-L343 PolarHBondContact O-N 3.47Å; H341-L343 VanDerWaalsContact O-N 3.08Å; H341-T344 PolarHBondContact O-N 2.86Å | ||
| 342 | L | 34.9 | Very low | 47.9 | Very low | 91 Ų | 91 | 112.7 Ų | 112.7 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -5.9 | -172.7 | -73.6 | 165.3 | 0 | 0 | 0 | 115.6 | ||
| 343 | L | 33.8 | Very low | 50.5 | Low | 157 Ų | 157 | 104.9 Ų | 104.9 | 82% | 0.822 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -7 | 179.2 | -73.8 | 166.9 | 0 | 0 | 0 | 114.5 | H341 | H341-L343 PolarHBondContact O-N 3.47Å; H341-L343 VanDerWaalsContact O-N 3.08Å |
| 344 | T | 36.1 | Very low | 53.2 | Low | 58 Ų | 58 | 97 Ų | 97 | 36% | 0.356 | 47% | 0.467 | S | S | . | . | trans | -120.6 | 8.4 | -172.3 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | H341 K346 D378 | H341-T344 PolarHBondContact O-N 2.86Å; T344-K346 PolarHBondContact O-N 3.27Å; T344-D378 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 345 | S | 42.4 | Very low | 56.1 | Low | 51 Ų | 51 | 92.4 Ų | 92.4 | 36% | 0.357 | 43% | 0.434 | S | S | . | . | trans | -61.2 | 97.5 | 174.4 | 168.5 | 0 | 0 | 0 | 0 | 109.9 | Y347 | S345-Y347 PolarHBondContact O-N 3.14Š| ||
| 346 | K | 46.3 | Very low | 58.8 | Low | 100 Ų | 100 | 85.3 Ų | 85.3 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | trans | -42.7 | 129.6 | -177.1 | -87.1 | -174.4 | 178.9 | 179.5 | 0 | 112.2 | T344 I348 S377 | T344-K346 PolarHBondContact O-N 3.27Å; K346-I348 PolarHBondContact O-N 2.97Å; K346-S377 WeakPolarHBondContact CE-O 3.21Å; K346-S377 PolarHBondContact NZ-O 3.18Å | ||
| 347 | Y | 60.6 | Low | 61.3 | Low | 75 Ų | 75 | 75.3 Ų | 75.3 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | trans | -55.2 | 116.8 | 168.2 | -165.9 | -84.6 | 0 | 0 | 0 | 110.2 | D319 H322 Y326 N327 S345 P349 | D319-Y347 HydrophobicContact CB-CD1 4.09Å; D319-Y347 HydrophobicContact CB-CD2 4.47Å; D319-Y347 HydrophobicContact CB-CE1 3.2Å; D319-Y347 HydrophobicContact CB-CE2 3.63Å; D319-Y347 WeakPolarHBondContact CB-OH 3.46Å; D319-Y347 WeakPolarHBondContact OD1-CE1 3.22Å; D319-Y347 VanDerWaalsContact OD2-CE1 3.28Å; D319-Y347 WeakPolarHBondContact OD2-CE1 3.12Å; D319-Y347 PolarHBondContact OD2-OH 2.85Å; H322-Y347 AromaticContact ND1-CZ 3.74Å; H322-Y347 PolarHBondContact ND1-OH 2.89Å; Y326-Y347 HydrophobicContact CE1-CE2 4.47Å; N327-Y347 PolarHBondContact OD1-OH 2.84Å; S345-Y347 PolarHBondContact O-N 3.14Å; Y347-P349 HydrophobicContact CD1-CB 4.41Å; Y347-P349 HydrophobicContact CE1-CB 4.15Å; Y347-P349 WeakPolarHBondContact O-CD 3.3Å | ||
| 348 | I | 71.2 | Confident | 63.6 | Low | 70 Ų | 70 | 65.6 Ų | 65.6 | 36% | 0.359 | 32% | 0.322 | S | S | . | . | trans | -96.8 | 108.8 | 171.6 | -58.8 | 175 | 0 | 0 | 0 | 106.9 | H322 K346 | H322-I348 PolarHBondContact CE1-O 2.8Å; K346-I348 PolarHBondContact O-N 2.97Å | ||
| 349 | P | 82.5 | Confident | 66.1 | Low | 8 Ų | 8 | 57.9 Ų | 57.9 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | trans | -71.6 | 152.3 | 176.1 | 30.5 | -33.7 | 0 | 0 | 0 | 111.8 | S321 Y347 D351 V354 W357 P366 L385 | S321-P349 VanDerWaalsContact OG-CA 3.26Å; S321-P349 WeakPolarHBondContact OG-CA 3.29Å; S321-P349 WeakPolarHBondContact OG-CB 3.08Å; Y347-P349 HydrophobicContact CD1-CB 4.41Å; Y347-P349 HydrophobicContact CE1-CB 4.15Å; Y347-P349 WeakPolarHBondContact O-CD 3.3Å; P349-D351 PolarHBondContact O-N 3.12Å; P349-V354 HydrophobicContact CB-CG2 4.35Å; P349-W357 HydrophobicContact CG-CZ3 4.3Å; P349-P366 HydrophobicContact CG-CB 3.52Å; P349-P366 HydrophobicContact CG-CG 3.48Å; P349-P366 VanDerWaalsContact CG-CG 3.48Å; P349-L385 HydrophobicContact CB-CD1 3.93Å; P349-L385 HydrophobicContact CG-CD1 3.77Å | ||
| 350 | N | 85.5 | Confident | 68.7 | Low | 20 Ų | 20 | 50.4 Ų | 50.4 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | trans | -76.1 | 102.4 | 172.5 | -170.1 | -14.5 | 0 | 0 | 0 | 109.5 | S321 H322 K352 Y353 | S321-N350 PolarHBondContact OG-N 3.17Å; H322-N350 PolarHBondContact CE1-N 3.27Å; N350-K352 PolarHBondContact O-N 3.4Å; N350-K352 WeakPolarHBondContact OD1-CB 3.32Å; N350-K352 PolarHBondContact OD1-N 3.42Å; N350-Y353 HydrophobicContact CB-CD2 4.33Å; N350-Y353 PolarHBondContact O-N 2.95Å; N350-Y353 VanDerWaalsContact O-N 3.13Å | ||
| 351 | D | 83.1 | Confident | 71 | Confident | 45 Ų | 45 | 42.5 Ų | 42.5 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -59 | -22.5 | -176.5 | 83 | -57.1 | 0 | 0 | 0 | 113 | P349 Y353 V354 W357 R413 H414 | P349-D351 PolarHBondContact O-N 3.12Å; D351-Y353 PolarHBondContact O-N 2.78Å; D351-Y353 VanDerWaalsContact O-N 3.07Å; D351-V354 PolarHBondContact O-N 2.91Å; D351-W357 HydrophobicContact CB-CD2 3.78Å; D351-W357 HydrophobicContact CB-CE3 3.73Å; D351-W357 HydrophobicContact CB-CG 4.49Å; D351-W357 HydrophobicContact CB-CH2 3.96Å; D351-W357 HydrophobicContact CB-CZ2 3.99Å; D351-W357 HydrophobicContact CB-CZ3 3.82Å; D351-R413 WeakPolarHBondContact O-CD 3.23Å; D351-R413 PolarHBondContact O-NE 2.84Å; D351-R413 IonicContact OD2-CZ 2.71Å; D351-R413 IonicContact OD2-NE 3.81Å; D351-R413 IonicContact OD2-NH2 3.91Å; D351-R413 PolarHBondContact OD2-NH2 2.69Å; D351-H414 IonicContact OD2-CE1 3.73Å; D351-H414 IonicContact OD2-NE2 2.74Å |
| 352 | K | 87.2 | Confident | 73.2 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -50.3 | -34.1 | 174.7 | 177.7 | 171.6 | -83.7 | -151.9 | 0 | 112.6 | N350 S412 R413 E434 | N350-K352 PolarHBondContact O-N 3.4Å; N350-K352 WeakPolarHBondContact OD1-CB 3.32Å; N350-K352 PolarHBondContact OD1-N 3.42Å; K352-S412 VanDerWaalsContact CG-OG 3.25Å; K352-S412 WeakPolarHBondContact CG-OG 3.34Å; K352-S412 CarbonylContact O-C 3.55Å; K352-S412 WeakPolarHBondContact O-CA 3.49Å; K352-S412 PolarHBondContact O-OG 2.69Å; K352-R413 PolarHBondContact O-N 2.75Å; K352-E434 VanDerWaalsContact NZ-CD 3.25Å; K352-E434 IonicContact NZ-OE1 3.71Å; K352-E434 PolarHBondContact NZ-OE1 3.1Å; K352-E434 IonicContact NZ-OE2 3.18Å; K352-E434 PolarHBondContact NZ-OE2 3.06Å |
| 353 | Y | 93.7 | Very high | 75.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -108.4 | -1.5 | -174.4 | -56 | -61.4 | 0 | 0 | 0 | 114.1 | S321 N350 D351 W355 F387 R410 E436 R504 | S321-Y353 VanDerWaalsContact O-CD2 3.24Å; S321-Y353 WeakPolarHBondContact O-CD2 3.34Å; N350-Y353 HydrophobicContact CB-CD2 4.33Å; N350-Y353 PolarHBondContact O-N 2.95Å; N350-Y353 VanDerWaalsContact O-N 3.13Å; D351-Y353 PolarHBondContact O-N 2.78Å; D351-Y353 VanDerWaalsContact O-N 3.07Å; Y353-W355 PolarHBondContact O-N 3.4Å; Y353-F387 VanDerWaalsContact O-CD1 3.24Å; Y353-F387 WeakPolarHBondContact O-CD1 3.45Å; Y353-R410 HydrophobicContact CD1-CB 3.52Å; Y353-R410 HydrophobicContact CD2-CB 4.38Å; Y353-R410 HydrophobicContact CE1-CB 3.83Å; Y353-R410 WeakPolarHBondContact CE1-O 3.39Å; Y353-R410 HydrophobicContact CG-CB 3.83Å; Y353-E436 HydrophobicContact CE1-CB 4.25Å; Y353-E436 VanDerWaalsContact OH-CB 3.31Å; Y353-E436 WeakPolarHBondContact OH-CB 3.5Å; Y353-E436 PolarHBondContact OH-OE2 2.88Å; Y353-R504 PolarHBondContact OH-NH1 2.94Å |
| 354 | V | 91.3 | Very high | 77.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -91.7 | 96.9 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | P349 D351 N356 W357 L385 F387 R413 | P349-V354 HydrophobicContact CB-CG2 4.35Å; D351-V354 PolarHBondContact O-N 2.91Å; V354-N356 WeakPolarHBondContact CG1-OD1 3.4Å; V354-N356 PolarHBondContact O-N 3.44Å; V354-W357 HydrophobicContact CB-CB 4.31Å; V354-W357 HydrophobicContact CB-CE3 4.03Å; V354-W357 HydrophobicContact CG1-CB 4.11Å; V354-W357 HydrophobicContact CG1-CE3 4.03Å; V354-W357 HydrophobicContact CG2-CE3 4.39Å; V354-W357 VanDerWaalsContact O-CB 3.22Å; V354-W357 WeakPolarHBondContact O-CB 3.4Å; V354-W357 PolarHBondContact O-N 2.96Å; V354-L385 HydrophobicContact CG1-CB 4.15Å; V354-L385 HydrophobicContact CG1-CD2 4Å; V354-F387 HydrophobicContact CG2-CE1 3.95Å; V354-F387 HydrophobicContact CG2-CZ 4.22Å; V354-R413 WeakPolarHBondContact O-CD 3.47Å | ||
| 355 | W | 92.7 | Very high | 79.3 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 2% | 0.023 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33.4 | -170.3 | -88 | 61.4 | 0 | 0 | 0 | 114.2 | F312 Y353 W357 L386 H388 R411 R413 A416 I742 F745 L746 | F312-W355 HydrophobicContact CE1-CB 3.96Å; F312-W355 HydrophobicContact CE1-CD2 4.33Å; F312-W355 HydrophobicContact CE1-CE3 4.15Å; F312-W355 HydrophobicContact CE1-CG 4.25Å; F312-W355 HydrophobicContact CZ-CE3 4.18Å; Y353-W355 PolarHBondContact O-N 3.4Å; W355-W357 VanDerWaalsContact C-N 3.28Å; W355-W357 PolarHBondContact O-N 3.49Å; W355-L386 PolarHBondContact N-O 3.46Å; W355-H388 HydrophobicContact CD2-CB 3.54Å; W355-H388 VanDerWaalsContact CE2-CB 3.5Å; W355-H388 AromaticContact CE2-ND1 3.65Å; W355-H388 HydrophobicContact CE3-CB 4.16Å; W355-H388 HydrophobicContact CG-CB 3.69Å; W355-H388 AromaticContact CH2-ND1 3.31Å; W355-H388 VanDerWaalsContact CH2-ND1 3.31Å; W355-H388 WeakPolarHBondContact CH2-ND1 3.45Å; W355-H388 HydrophobicContact CZ2-CB 4.09Å; W355-H388 AromaticContact CZ2-ND1 3.29Å; W355-H388 VanDerWaalsContact CZ2-ND1 3.29Å; W355-H388 WeakPolarHBondContact CZ2-ND1 3.42Å; W355-H388 AromaticContact CZ3-ND1 3.68Å; W355-R411 HydrophobicContact CZ2-CB 4.3Å; W355-R411 HydrophobicContact CZ2-CG 3.89Å; W355-R411 PolarHBondContact NE1-O 2.94Å; W355-R413 HydrophobicContact CG-CB 4.38Å; W355-A416 HydrophobicContact CH2-CB 3.89Å; W355-A416 HydrophobicContact CZ2-CB 4.09Å; W355-I742 HydrophobicContact CZ3-CG2 4.49Å; W355-F745 HydrophobicContact CB-CE1 4.3Å; W355-F745 HydrophobicContact CE3-CE1 4.47Å; W355-L746 HydrophobicContact CD2-CD2 4.24Å; W355-L746 HydrophobicContact CE3-CD2 3.82Å; W355-L746 HydrophobicContact CZ3-CD1 4.45Å; W355-L746 HydrophobicContact CZ3-CD2 4.31Å; W355-L746 WeakPolarHBondContact O-CD2 3.34Å |
| 356 | N | 92.4 | Very high | 80.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 10.1 | 177.7 | 64.8 | -35.3 | 0 | 0 | 0 | 113.6 | V191 V354 R358 L359 I360 T384 L386 | V191-N356 HydrophobicContact CG1-CB 3.85Å; V191-N356 PolarHBondContact O-ND2 3.21Å; V354-N356 WeakPolarHBondContact CG1-OD1 3.4Å; V354-N356 PolarHBondContact O-N 3.44Å; N356-R358 VanDerWaalsContact C-N 3.31Å; N356-R358 PolarHBondContact O-N 3.5Å; N356-R358 VanDerWaalsContact O-N 3.16Å; N356-L359 HydrophobicContact CB-CB 4.44Å; N356-L359 HydrophobicContact CB-CD1 4.19Å; N356-L359 WeakPolarHBondContact O-CA 3.28Å; N356-L359 WeakPolarHBondContact O-CB 3.34Å; N356-L359 PolarHBondContact O-N 2.94Å; N356-I360 PolarHBondContact O-N 3.33Å; N356-T384 PolarHBondContact ND2-O 2.69Å; N356-L386 HydrophobicContact CB-CB 4.34Å; N356-L386 HydrophobicContact CB-CD1 4.49Å; N356-L386 HydrophobicContact CB-CG 4.45Å; N356-L386 PolarHBondContact OD1-N 3.34Å |
| 357 | W | 86.3 | Confident | 81.4 | Confident | 30 Ų | 30 | 22.8 Ų | 22.8 | 11% | 0.114 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -49.4 | -46.5 | -174.5 | -179.7 | -87.1 | 0 | 0 | 0 | 113.8 | P349 D351 V354 W355 L359 I360 R365 P366 | P349-W357 HydrophobicContact CG-CZ3 4.3Å; D351-W357 HydrophobicContact CB-CD2 3.78Å; D351-W357 HydrophobicContact CB-CE3 3.73Å; D351-W357 HydrophobicContact CB-CG 4.49Å; D351-W357 HydrophobicContact CB-CH2 3.96Å; D351-W357 HydrophobicContact CB-CZ2 3.99Å; D351-W357 HydrophobicContact CB-CZ3 3.82Å; V354-W357 HydrophobicContact CB-CB 4.31Å; V354-W357 HydrophobicContact CB-CE3 4.03Å; V354-W357 HydrophobicContact CG1-CB 4.11Å; V354-W357 HydrophobicContact CG1-CE3 4.03Å; V354-W357 HydrophobicContact CG2-CE3 4.39Å; V354-W357 VanDerWaalsContact O-CB 3.22Å; V354-W357 WeakPolarHBondContact O-CB 3.4Å; V354-W357 PolarHBondContact O-N 2.96Å; W355-W357 VanDerWaalsContact C-N 3.28Å; W355-W357 PolarHBondContact O-N 3.49Å; W357-L359 VanDerWaalsContact C-N 3.3Å; W357-L359 PolarHBondContact O-N 2.85Å; W357-I360 PolarHBondContact O-N 3.06Å; W357-R365 PolarHBondContact O-NE 3.05Å; W357-P366 HydrophobicContact CH2-CB 4.49Å; W357-P366 HydrophobicContact CH2-CG 4.5Å; W357-P366 HydrophobicContact CZ3-CB 4.46Å; W357-P366 HydrophobicContact CZ3-CG 4.07Å |
| 358 | R | 82.3 | Confident | 81.1 | Confident | 59 Ų | 59 | 22.5 Ų | 22.5 | 22% | 0.223 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -78.6 | -10.1 | -179.5 | -60.8 | -69.5 | -158.6 | -155.4 | 12.9 | 113.9 | E64 N356 R747 | E64-R358 IonicContact OE1-CZ 2.71Å; E64-R358 IonicContact OE1-NE 3.65Å; E64-R358 IonicContact OE1-NH1 3.83Å; E64-R358 PolarHBondContact OE1-NH1 2.99Å; E64-R358 WeakPolarHBondContact OE2-CD 3.15Å; E64-R358 IonicContact OE2-CZ 2.64Å; E64-R358 IonicContact OE2-NE 2.78Å; E64-R358 PolarHBondContact OE2-NE 3Å; E64-R358 IonicContact OE2-NH1 2.94Å; E64-R358 PolarHBondContact OE2-NH1 2.81Å; E64-R358 IonicContact OE2-NH2 3.59Å; N356-R358 VanDerWaalsContact C-N 3.31Å; N356-R358 PolarHBondContact O-N 3.5Å; N356-R358 VanDerWaalsContact O-N 3.16Å; R358-R747 HydrophobicContact CB-CB 3.71Å; R358-R747 HydrophobicContact CB-CG 3.91Å; R358-R747 HydrophobicContact CG-CB 4.4Å |
| 359 | L | 87.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -85.5 | -20.5 | 172.6 | -55.8 | 179.4 | 0 | 0 | 0 | 111.8 | V191 G192 V193 V194 I203 F303 N356 W357 F745 R747 | V191-L359 HydrophobicContact CG1-CD1 4.44Å; G192-L359 CarbonylContact C-O 3.59Å; G192-L359 WeakPolarHBondContact CA-O 3.29Å; V193-L359 PolarHBondContact N-O 2.86Å; V193-L359 VanDerWaalsContact O-O 3.12Å; V194-L359 HydrophobicContact CB-CD2 4.16Å; V194-L359 HydrophobicContact CG2-CD2 4.21Å; I203-L359 HydrophobicContact CD1-CD1 4.11Å; F303-L359 HydrophobicContact CE2-CD2 4.36Å; F303-L359 HydrophobicContact CZ-CD1 4.13Å; N356-L359 HydrophobicContact CB-CB 4.44Å; N356-L359 HydrophobicContact CB-CD1 4.19Å; N356-L359 WeakPolarHBondContact O-CA 3.28Å; N356-L359 WeakPolarHBondContact O-CB 3.34Å; N356-L359 PolarHBondContact O-N 2.94Å; W357-L359 VanDerWaalsContact C-N 3.3Å; W357-L359 PolarHBondContact O-N 2.85Å; L359-F745 HydrophobicContact CD1-CD2 4.13Å; L359-F745 HydrophobicContact CD1-CE1 4.36Å; L359-F745 HydrophobicContact CD1-CE2 3.65Å; L359-F745 HydrophobicContact CD1-CZ 3.78Å; L359-R747 HydrophobicContact CD2-CG 3.8Å |
| 360 | I | 86.2 | Confident | 78.3 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -75.9 | 129.4 | 172.9 | -57 | 171 | 0 | 0 | 0 | 107.8 | N356 W357 F364 R365 F383 L385 | N356-I360 PolarHBondContact O-N 3.33Å; W357-I360 PolarHBondContact O-N 3.06Å; I360-F364 HydrophobicContact CG2-CB 3.97Å; I360-R365 HydrophobicContact CB-CG 4.05Å; I360-R365 HydrophobicContact CG2-CG 3.79Å; I360-R365 VanDerWaalsContact O-CZ 3.26Å; I360-R365 PolarHBondContact O-NE 3.26Å; I360-R365 PolarHBondContact O-NH2 2.66Å; I360-F383 HydrophobicContact CB-CG 4.5Å; I360-F383 HydrophobicContact CD1-CB 4.13Å; I360-F383 HydrophobicContact CG1-CB 3.91Å; I360-F383 HydrophobicContact CG1-CD1 4.41Å; I360-F383 HydrophobicContact CG1-CG 4.23Å; I360-F383 HydrophobicContact CG2-CB 4.02Å; I360-F383 HydrophobicContact CG2-CD1 4.49Å; I360-F383 HydrophobicContact CG2-CD2 3.96Å; I360-F383 HydrophobicContact CG2-CG 3.88Å; I360-L385 HydrophobicContact CD1-CD2 3.61Å |
| 361 | P | 83.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | trans | -59.6 | 138.6 | 175.8 | -18.7 | 28.5 | 0 | 0 | 0 | 110.3 | T62 I77 V193 R363 F364 R365 F383 | T62-P361 WeakPolarHBondContact O-CA 3.09Å; I77-P361 HydrophobicContact CD1-CG 4.28Å; V193-P361 HydrophobicContact CG2-CG 3.64Å; P361-R363 VanDerWaalsContact C-N 3.27Å; P361-R363 PolarHBondContact O-N 3Å; P361-R363 VanDerWaalsContact O-N 3.07Å; P361-F364 HydrophobicContact CB-CD2 3.92Å; P361-F364 HydrophobicContact CG-CD2 3.89Å; P361-F364 PolarHBondContact O-N 3.43Å; P361-R365 PolarHBondContact O-N 3.49Å; P361-F383 HydrophobicContact CG-CE1 4.44Å; P361-F383 HydrophobicContact CG-CE2 4.2Å; P361-F383 HydrophobicContact CG-CZ 3.79Å | ||
| 362 | P | 77.3 | Confident | 74 | Confident | 25 Ų | 25 | 38 Ų | 38 | 16% | 0.162 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -43.7 | -45.7 | -175.8 | -31 | 32.6 | 0 | 0 | 0 | 115.6 | A61 T62 E64 F364 R365 | A61-P362 WeakPolarHBondContact O-CD 3.23Å; T62-P362 WeakPolarHBondContact O-CD 3.46Å; E64-P362 HydrophobicContact CG-CG 4.02Å; P362-F364 VanDerWaalsContact C-N 3.25Å; P362-F364 PolarHBondContact O-N 3.11Å; P362-R365 WeakPolarHBondContact O-CB 3.35Å; P362-R365 PolarHBondContact O-N 3.38Å; P362-R365 VanDerWaalsContact O-N 3.08Å |
| 363 | R | 76.7 | Confident | 71.7 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 16% | 0.158 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -65.6 | -22.9 | -179.6 | 72.4 | 178.5 | -162.1 | 173.4 | 18.6 | 115.6 | E60 I77 P361 | E60-R363 HydrophobicContact CB-CB 4.44Å; E60-R363 WeakPolarHBondContact OE2-CB 3.26Å; E60-R363 WeakPolarHBondContact OE2-CD 3.26Å; I77-R363 VanDerWaalsContact O-CZ 3.23Å; I77-R363 PolarHBondContact O-NH1 3.24Å; I77-R363 PolarHBondContact O-NH2 3.18Å; P361-R363 VanDerWaalsContact C-N 3.27Å; P361-R363 PolarHBondContact O-N 3Å; P361-R363 VanDerWaalsContact O-N 3.07Å |
| 364 | F | 80.4 | Confident | 69 | Low | 22 Ų | 22 | 52.8 Ų | 52.8 | 10% | 0.096 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -96.1 | 1.7 | 177.5 | -68 | -70.4 | 0 | 0 | 0 | 112.2 | L36 I77 I360 P361 P362 F383 | L36-F364 HydrophobicContact CD1-CE1 4.03Å; L36-F364 HydrophobicContact CD1-CZ 3.61Å; I77-F364 HydrophobicContact CB-CE2 4.34Å; I77-F364 HydrophobicContact CD1-CE2 4.11Å; I77-F364 HydrophobicContact CG2-CE2 3.81Å; I77-F364 HydrophobicContact CG2-CZ 3.77Å; I360-F364 HydrophobicContact CG2-CB 3.97Å; P361-F364 HydrophobicContact CB-CD2 3.92Å; P361-F364 HydrophobicContact CG-CD2 3.89Å; P361-F364 PolarHBondContact O-N 3.43Å; P362-F364 VanDerWaalsContact C-N 3.25Å; P362-F364 PolarHBondContact O-N 3.11Å; F364-F383 HydrophobicContact CB-CD2 3.61Å; F364-F383 HydrophobicContact CB-CE2 3.66Å; F364-F383 HydrophobicContact CD1-CE2 4.21Å; F364-F383 HydrophobicContact CD2-CD2 4.29Å; F364-F383 AromaticContact CD2-CE2 3.45Å; F364-F383 HydrophobicContact CD2-CE2 3.45Å; F364-F383 VanDerWaalsContact CD2-CE2 3.45Å; F364-F383 HydrophobicContact CD2-CZ 4.22Å; F364-F383 HydrophobicContact CE2-CE2 4.02Å; F364-F383 AromaticContact CG-CD2 3.93Å; F364-F383 HydrophobicContact CG-CD2 3.93Å; F364-F383 AromaticContact CG-CE2 3.53Å; F364-F383 HydrophobicContact CG-CE2 3.53Å |
| 365 | R | 76.1 | Confident | 66.3 | Low | 14 Ų | 14 | 58.2 Ų | 58.2 | 5% | 0.053 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -75.3 | 145 | 178.5 | -66.6 | -160.2 | -166 | 110.8 | -0.1 | 111.6 | E64 W357 I360 P361 P362 G367 C368 | E64-R365 VanDerWaalsContact CD-NH1 3.26Å; E64-R365 IonicContact OE1-CZ 3.49Å; E64-R365 IonicContact OE1-NH1 2.85Å; E64-R365 PolarHBondContact OE1-NH1 3.25Å; E64-R365 IonicContact OE1-NH2 3.81Å; E64-R365 PolarHBondContact OE1-NH2 3.09Å; W357-R365 PolarHBondContact O-NE 3.05Å; I360-R365 HydrophobicContact CB-CG 4.05Å; I360-R365 HydrophobicContact CG2-CG 3.79Å; I360-R365 VanDerWaalsContact O-CZ 3.26Å; I360-R365 PolarHBondContact O-NE 3.26Å; I360-R365 PolarHBondContact O-NH2 2.66Å; P361-R365 PolarHBondContact O-N 3.49Å; P362-R365 WeakPolarHBondContact O-CB 3.35Å; P362-R365 PolarHBondContact O-N 3.38Å; P362-R365 VanDerWaalsContact O-N 3.08Å; R365-G367 PolarHBondContact O-N 3.29Å; R365-C368 PolarHBondContact O-N 2.94Å |
| 366 | P | 71.7 | Confident | 63.5 | Low | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 126.7 | 171.6 | -21.5 | 28.2 | 0 | 0 | 0 | 111.2 | P349 W357 E381 L385 | P349-P366 HydrophobicContact CG-CB 3.52Å; P349-P366 HydrophobicContact CG-CG 3.48Å; P349-P366 VanDerWaalsContact CG-CG 3.48Å; W357-P366 HydrophobicContact CH2-CB 4.49Å; W357-P366 HydrophobicContact CH2-CG 4.5Å; W357-P366 HydrophobicContact CZ3-CB 4.46Å; W357-P366 HydrophobicContact CZ3-CG 4.07Å; P366-E381 WeakPolarHBondContact CG-OE1 3.4Å; P366-L385 HydrophobicContact CG-CD1 4.38Å; P366-L385 HydrophobicContact CG-CD2 4.24Å |
| 367 | G | 62.1 | Low | 60.9 | Low | 43 Ų | 43 | 65.3 Ų | 65.3 | 44% | 0.443 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -13.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | R365 | R365-G367 PolarHBondContact O-N 3.29Š|
| 368 | C | 55 | Low | 58.8 | Low | 70 Ų | 70 | 67.8 Ų | 67.8 | 47% | 0.473 | 38% | 0.375 | S | S | . | . | trans | -77.1 | -21.4 | -173.4 | -69 | 0 | 0 | 0 | 0 | 115.5 | R365 R370 | R365-C368 PolarHBondContact O-N 2.94Å; C368-R370 VanDerWaalsContact C-N 3.31Å; C368-R370 PolarHBondContact O-N 3.11Å; C368-R370 VanDerWaalsContact O-N 3.09Å | ||
| 369 | N | 49.1 | Very low | 57 | Low | 104 Ų | 104 | 67.1 Ų | 67.1 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -86 | 38.7 | -173.5 | -75.3 | -7.3 | 0 | 0 | 0 | 115.4 | ||
| 370 | R | 44.4 | Very low | 55.4 | Low | 145 Ų | 145 | 67.8 Ų | 67.8 | 55% | 0.547 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -80 | -13.8 | 179.3 | -73.2 | -170.8 | -177.2 | 176.7 | 5.4 | 114.8 | C368 G372 D858 | C368-R370 VanDerWaalsContact C-N 3.31Å; C368-R370 PolarHBondContact O-N 3.11Å; C368-R370 VanDerWaalsContact O-N 3.09Å; R370-G372 PolarHBondContact O-N 3.21Å; R370-D858 IonicContact NH1-OD1 3.78Å; R370-D858 PolarHBondContact NH1-OD1 3.15Å; R370-D858 IonicContact NH1-OD2 2.69Å; R370-D858 PolarHBondContact NH1-OD2 2.86Å |
| 371 | N | 38.6 | Very low | 54.7 | Low | 168 Ų | 168 | 69.5 Ų | 69.5 | 90% | 0.898 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -91.4 | 8.3 | -168.9 | -69.4 | -1 | 0 | 0 | 0 | 115.7 | ||
| 372 | G | 40.3 | Very low | 54.9 | Low | 52 Ų | 52 | 69.5 Ų | 69.5 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -109.8 | 131 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R370 H374 | R370-G372 PolarHBondContact O-N 3.21Å; G372-H374 PolarHBondContact O-N 3.07Å |
| 373 | L | 39.4 | Very low | 55.5 | Low | 169 Ų | 169 | 68.8 Ų | 68.8 | 89% | 0.885 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -54.7 | 10.5 | 178.9 | -152.6 | 73.1 | 0 | 0 | 0 | 116.1 | ||
| 374 | H | 35.3 | Very low | 56.2 | Low | 146 Ų | 146 | 67 Ų | 67 | 68% | 0.676 | 38% | 0.375 | S | S | * | . | trans | -124.6 | 93.3 | 178.1 | -76.3 | -60.9 | 0 | 0 | 0 | 110.4 | G372 I376 | G372-H374 PolarHBondContact O-N 3.07Å; H374-I376 PolarHBondContact O-N 3.39Å | ||
| 375 | P | 35.5 | Very low | 56.8 | Low | 114 Ų | 114 | 66.8 Ų | 66.8 | 74% | 0.74 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 2.4 | 172.8 | 23.8 | -31.5 | 0 | 0 | 0 | 114.3 | ||
| 376 | I | 34.1 | Very low | 57.7 | Low | 99 Ų | 99 | 66.1 Ų | 66.1 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 19.6 | -172.3 | -50.1 | 164.8 | 0 | 0 | 0 | 112.1 | H374 D378 | H374-I376 PolarHBondContact O-N 3.39Å; I376-D378 PolarHBondContact O-N 3.02Å |
| 377 | S | 37.2 | Very low | 58.9 | Low | 56 Ų | 56 | 66.4 Ų | 66.4 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | trans | -79.1 | 67.3 | 164.8 | -159.2 | 0 | 0 | 0 | 0 | 109.7 | K346 Q379 | K346-S377 WeakPolarHBondContact CE-O 3.21Å; K346-S377 PolarHBondContact NZ-O 3.18Å; S377-Q379 PolarHBondContact O-N 3.27Å; S377-Q379 WeakPolarHBondContact OG-CG 3.31Å | ||
| 378 | D | 42.8 | Very low | 60.5 | Low | 81 Ų | 81 | 65.1 Ų | 65.1 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | trans | -63.8 | 26.3 | 170.5 | -71.2 | -33.3 | 0 | 0 | 0 | 112.4 | T344 I376 | T344-D378 WeakPolarHBondContact CB-OD1 3.19Å; I376-D378 PolarHBondContact O-N 3.02Å | ||
| 379 | Q | 45.1 | Very low | 62.4 | Low | 46 Ų | 46 | 61.8 Ų | 61.8 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 129.2 | -170.7 | -51.3 | -76 | -61.7 | 0 | 0 | 109.3 | R34 S377 | R34-Q379 VanDerWaalsContact NH1-CD 3.29Å; S377-Q379 PolarHBondContact O-N 3.27Å; S377-Q379 WeakPolarHBondContact OG-CG 3.31Å |
| 380 | P | 52.3 | Low | 64.6 | Low | 14 Ų | 14 | 56.9 Ų | 56.9 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 144.6 | 172.8 | 29 | -44 | 0 | 0 | 0 | 112.3 | W8 M9 R34 W382 | W8-P380 HydrophobicContact CG-CB 4.41Å; W8-P380 HydrophobicContact CZ2-CG 4.02Å; M9-P380 HydrophobicContact CE-CB 4Å; M9-P380 HydrophobicContact CE-CG 3.95Å; M9-P380 HydrophobicContact SD-CG 4.42Å; R34-P380 VanDerWaalsContact NH1-CD 3.33Å; P380-W382 PolarHBondContact O-N 2.94Å |
| 381 | E | 73 | Confident | 67.2 | Low | 38 Ų | 38 | 50.5 Ų | 50.5 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 118.2 | 175.9 | -64.2 | -177.5 | 170.8 | 0 | 0 | 109.8 | N7 P366 F383 | N7-E381 PolarHBondContact ND2-O 2.91Å; P366-E381 WeakPolarHBondContact CG-OE1 3.4Å; E381-F383 PolarHBondContact O-N 2.87Å; E381-F383 VanDerWaalsContact O-N 3.14Å |
| 382 | W | 86.1 | Confident | 69.9 | Low | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -57.9 | -23.4 | 174.4 | -79.4 | 93.1 | 0 | 0 | 0 | 113.4 | M9 L23 R34 L36 E79 V190 P380 | M9-W382 HydrophobicContact CE-CB 4.46Å; M9-W382 HydrophobicContact CE-CD2 3.86Å; M9-W382 HydrophobicContact CE-CE3 4.03Å; M9-W382 HydrophobicContact CE-CG 4.08Å; M9-W382 HydrophobicContact SD-CD2 4.32Å; M9-W382 HydrophobicContact SD-CE3 4.15Å; M9-W382 HydrophobicContact SD-CH2 4.16Å; M9-W382 HydrophobicContact SD-CZ2 4.31Å; M9-W382 HydrophobicContact SD-CZ3 4.08Å; L23-W382 HydrophobicContact CB-CE3 4.31Å; L23-W382 HydrophobicContact CB-CH2 4.49Å; L23-W382 HydrophobicContact CB-CZ3 3.73Å; L23-W382 WeakPolarHBondContact O-CH2 3.36Å; R34-W382 HydrophobicContact CB-CH2 4.14Å; R34-W382 HydrophobicContact CB-CZ2 3.9Å; L36-W382 HydrophobicContact CB-CD2 3.73Å; L36-W382 VanDerWaalsContact CB-CE2 3.44Å; L36-W382 HydrophobicContact CB-CE3 3.87Å; L36-W382 HydrophobicContact CB-CH2 3.47Å; L36-W382 VanDerWaalsContact CB-CH2 3.47Å; L36-W382 HydrophobicContact CB-CZ2 3.32Å; L36-W382 HydrophobicContact CB-CZ3 3.75Å; L36-W382 HydrophobicContact CD1-CB 4.37Å; L36-W382 HydrophobicContact CD1-CD2 3.71Å; L36-W382 HydrophobicContact CD1-CE3 4.41Å; L36-W382 HydrophobicContact CD1-CG 3.64Å; L36-W382 HydrophobicContact CG-CD2 4.28Å; L36-W382 VanDerWaalsContact N-CH2 3.29Å; E79-W382 VanDerWaalsContact CD-NE1 3.29Å; E79-W382 PolarHBondContact OE1-NE1 2.85Å; V190-W382 WeakPolarHBondContact CB-O 3.5Å; P380-W382 PolarHBondContact O-N 2.94Å |
| 383 | F | 90.3 | Very high | 72.5 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -102.6 | 134.4 | -175.8 | -62.9 | -90.4 | 0 | 0 | 0 | 111 | V190 I360 P361 F364 E381 | V190-F383 HydrophobicContact CB-CD1 4.22Å; V190-F383 HydrophobicContact CG1-CD1 3.69Å; V190-F383 HydrophobicContact CG1-CE1 3.61Å; V190-F383 CarbonylContact O-C 3.52Å; V190-F383 VanDerWaalsContact O-CA 3.29Å; V190-F383 WeakPolarHBondContact O-CA 3.45Å; I360-F383 HydrophobicContact CB-CG 4.5Å; I360-F383 HydrophobicContact CD1-CB 4.13Å; I360-F383 HydrophobicContact CG1-CB 3.91Å; I360-F383 HydrophobicContact CG1-CD1 4.41Å; I360-F383 HydrophobicContact CG1-CG 4.23Å; I360-F383 HydrophobicContact CG2-CB 4.02Å; I360-F383 HydrophobicContact CG2-CD1 4.49Å; I360-F383 HydrophobicContact CG2-CD2 3.96Å; I360-F383 HydrophobicContact CG2-CG 3.88Å; P361-F383 HydrophobicContact CG-CE1 4.44Å; P361-F383 HydrophobicContact CG-CE2 4.2Å; P361-F383 HydrophobicContact CG-CZ 3.79Å; F364-F383 HydrophobicContact CB-CD2 3.61Å; F364-F383 HydrophobicContact CB-CE2 3.66Å; F364-F383 HydrophobicContact CD1-CE2 4.21Å; F364-F383 HydrophobicContact CD2-CD2 4.29Å; F364-F383 AromaticContact CD2-CE2 3.45Å; F364-F383 HydrophobicContact CD2-CE2 3.45Å; F364-F383 VanDerWaalsContact CD2-CE2 3.45Å; F364-F383 HydrophobicContact CD2-CZ 4.22Å; F364-F383 HydrophobicContact CE2-CE2 4.02Å; F364-F383 AromaticContact CG-CD2 3.93Å; F364-F383 HydrophobicContact CG-CD2 3.93Å; F364-F383 AromaticContact CG-CE2 3.53Å; F364-F383 HydrophobicContact CG-CE2 3.53Å; E381-F383 PolarHBondContact O-N 2.87Å; E381-F383 VanDerWaalsContact O-N 3.14Å |
| 384 | T | 92.5 | Very high | 75.2 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 122.2 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | G189 V190 I205 F314 N356 L386 | G189-T384 VanDerWaalsContact CA-OG1 3.23Å; G189-T384 WeakPolarHBondContact CA-OG1 3.1Å; V190-T384 PolarHBondContact O-N 3.04Å; I205-T384 HydrophobicContact CD1-CG2 4.15Å; F314-T384 HydrophobicContact CB-CG2 3.72Å; F314-T384 HydrophobicContact CD2-CG2 3.46Å; F314-T384 VanDerWaalsContact CD2-CG2 3.46Å; F314-T384 HydrophobicContact CE2-CG2 4.2Å; F314-T384 HydrophobicContact CG-CG2 3.67Å; N356-T384 PolarHBondContact ND2-O 2.69Å; T384-L386 PolarHBondContact O-N 3.14Å |
| 385 | L | 92.8 | Very high | 77.9 | Confident | 16 Ų | 16 | 32.7 Ų | 32.7 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 127.9 | 177.3 | -51.9 | -177.1 | 0 | 0 | 0 | 110.3 | F314 P349 V354 I360 P366 F387 | F314-L385 VanDerWaalsContact CB-O 3.27Å; F314-L385 WeakPolarHBondContact CB-O 3.49Å; P349-L385 HydrophobicContact CB-CD1 3.93Å; P349-L385 HydrophobicContact CG-CD1 3.77Å; V354-L385 HydrophobicContact CG1-CB 4.15Å; V354-L385 HydrophobicContact CG1-CD2 4Å; I360-L385 HydrophobicContact CD1-CD2 3.61Å; P366-L385 HydrophobicContact CG-CD1 4.38Å; P366-L385 HydrophobicContact CG-CD2 4.24Å; L385-F387 HydrophobicContact CB-CE2 3.95Å; L385-F387 HydrophobicContact CB-CZ 4.1Å |
| 386 | L | 95.3 | Very high | 80.3 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -107 | 137.2 | -179.3 | -64.7 | -169.4 | 0 | 0 | 0 | 112.2 | V191 I205 V222 L308 F312 F314 W355 N356 T384 | V191-L386 HydrophobicContact CB-CD1 4.24Å; V191-L386 HydrophobicContact CG1-CD1 3.48Å; V191-L386 VanDerWaalsContact CG1-CD1 3.48Å; V191-L386 HydrophobicContact CG1-CG 4.24Å; V191-L386 HydrophobicContact CG2-CD1 3.83Å; V191-L386 HydrophobicContact CG2-CG 4.49Å; I205-L386 HydrophobicContact CD1-CD2 4.05Å; V222-L386 HydrophobicContact CG2-CD2 4.12Å; L308-L386 HydrophobicContact CD2-CD1 4.31Å; F312-L386 HydrophobicContact CD1-CB 4.21Å; F312-L386 HydrophobicContact CD1-CD1 4.34Å; F314-L386 HydrophobicContact CB-CD2 4.09Å; F314-L386 HydrophobicContact CD1-CD2 4.29Å; F314-L386 HydrophobicContact CG-CD2 4.47Å; W355-L386 PolarHBondContact N-O 3.46Å; N356-L386 HydrophobicContact CB-CB 4.34Å; N356-L386 HydrophobicContact CB-CD1 4.49Å; N356-L386 HydrophobicContact CB-CG 4.45Å; N356-L386 PolarHBondContact OD1-N 3.34Å; T384-L386 PolarHBondContact O-N 3.14Å | ||
| 387 | F | 95.7 | Very high | 82.6 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.9 | -179 | -57.9 | -86.7 | 0 | 0 | 0 | 109.7 | F312 Y313 L320 S321 Y353 V354 L385 | F312-F387 CarbonylContact C-O 3.11Å; F312-F387 WeakPolarHBondContact CA-O 3.23Å; Y313-F387 PolarHBondContact N-O 3.25Å; Y313-F387 WeakPolarHBondContact O-CD2 3.23Å; Y313-F387 PolarHBondContact O-N 2.9Å; L320-F387 HydrophobicContact CB-CB 4.48Å; L320-F387 HydrophobicContact CB-CD1 3.92Å; L320-F387 HydrophobicContact CB-CD2 3.57Å; L320-F387 HydrophobicContact CB-CE1 4.02Å; L320-F387 HydrophobicContact CB-CE2 3.66Å; L320-F387 HydrophobicContact CB-CG 3.69Å; L320-F387 HydrophobicContact CB-CZ 3.87Å; L320-F387 HydrophobicContact CD1-CD2 3.64Å; L320-F387 HydrophobicContact CD1-CE2 4.15Å; L320-F387 HydrophobicContact CD1-CG 4.22Å; L320-F387 HydrophobicContact CG-CD2 4.21Å; L320-F387 HydrophobicContact CG-CE2 4.38Å; S321-F387 VanDerWaalsContact N-CE1 3.33Å; Y353-F387 VanDerWaalsContact O-CD1 3.24Å; Y353-F387 WeakPolarHBondContact O-CD1 3.45Å; V354-F387 HydrophobicContact CG2-CE1 3.95Å; V354-F387 HydrophobicContact CG2-CZ 4.22Å; L385-F387 HydrophobicContact CB-CE2 3.95Å; L385-F387 HydrophobicContact CB-CZ 4.1Å |
| 388 | H | 96.1 | Very high | 84.2 | Confident | 16 Ų | 16 | 27.7 Ų | 27.7 | 7% | 0.074 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.9 | 177.8 | -177 | -136.5 | 0 | 0 | 0 | 110.1 | N311 F312 W355 R411 Q695 | N311-H388 PolarHBondContact O-CD2 3Å; F312-H388 HydrophobicContact CD1-CB 4Å; F312-H388 HydrophobicContact CE1-CB 3.75Å; F312-H388 AromaticContact CE2-CD2 3.8Å; F312-H388 HydrophobicContact CZ-CB 4.15Å; F312-H388 AromaticContact CZ-CD2 3.96Å; W355-H388 HydrophobicContact CD2-CB 3.54Å; W355-H388 VanDerWaalsContact CE2-CB 3.5Å; W355-H388 AromaticContact CE2-ND1 3.65Å; W355-H388 HydrophobicContact CE3-CB 4.16Å; W355-H388 HydrophobicContact CG-CB 3.69Å; W355-H388 AromaticContact CH2-ND1 3.31Å; W355-H388 VanDerWaalsContact CH2-ND1 3.31Å; W355-H388 WeakPolarHBondContact CH2-ND1 3.45Å; W355-H388 HydrophobicContact CZ2-CB 4.09Å; W355-H388 AromaticContact CZ2-ND1 3.29Å; W355-H388 VanDerWaalsContact CZ2-ND1 3.29Å; W355-H388 WeakPolarHBondContact CZ2-ND1 3.42Å; W355-H388 AromaticContact CZ3-ND1 3.68Å; H388-R411 PolarHBondContact CE1-NH1 3.21Å; H388-R411 WeakPolarHBondContact O-CB 3.28Å; H388-R411 PolarHBondContact O-N 3.31Å; H388-Q695 PolarHBondContact NE2-NE2 3.31Å |
| 389 | G | 95 | Very high | 85.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.2 | -121.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N311 A409 T691 Q695 | N311-G389 VanDerWaalsContact CB-O 3.32Å; N311-G389 WeakPolarHBondContact CB-O 3.33Å; N311-G389 PolarHBondContact O-N 2.85Å; G389-A409 VanDerWaalsContact CA-O 3.29Å; G389-A409 WeakPolarHBondContact CA-O 3.49Å; G389-T691 WeakPolarHBondContact O-CG2 3.32Å; G389-Q695 PolarHBondContact O-NE2 2.83Å |
| 390 | S | 95.7 | Very high | 87 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 139.9 | 178.3 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | I408 A409 | S390-I408 CarbonylContact O-C 3.55Å; S390-A409 PolarHBondContact N-O 2.63Å; S390-A409 VanDerWaalsContact N-O 3.13Å; S390-A409 PolarHBondContact O-N 2.54Å |
| 391 | V | 97.4 | Very high | 88.2 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 120.3 | 172 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | V211 A212 I219 Y313 T406 L407 I408 | V211-V391 HydrophobicContact CG2-CB 4.3Å; V211-V391 HydrophobicContact CG2-CG1 4.13Å; A212-V391 HydrophobicContact CB-CG1 3.81Å; I219-V391 HydrophobicContact CD1-CG1 4.39Å; I219-V391 HydrophobicContact CG2-CG1 4.12Å; I219-V391 HydrophobicContact CG2-CG2 4.28Å; Y313-V391 HydrophobicContact CD1-CB 3.98Å; Y313-V391 HydrophobicContact CD1-CG2 3.88Å; Y313-V391 HydrophobicContact CD2-CG2 4.02Å; Y313-V391 HydrophobicContact CE1-CB 3.77Å; Y313-V391 HydrophobicContact CE1-CG2 4.08Å; Y313-V391 HydrophobicContact CE2-CG2 4.22Å; Y313-V391 HydrophobicContact CG-CB 4.42Å; Y313-V391 HydrophobicContact CG-CG2 3.83Å; Y313-V391 PolarHBondContact OH-N 3.29Å; V391-T406 HydrophobicContact CG1-CG2 4.47Å; V391-L407 WeakPolarHBondContact CA-O 3.5Å; V391-I408 HydrophobicContact CG1-CG1 4.42Å; V391-I408 HydrophobicContact CG2-CG2 4.31Å |
| 392 | S | 95.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143.3 | 175.6 | -60.7 | 0 | 0 | 0 | 0 | 109.4 | T406 L407 E687 | S392-T406 WeakPolarHBondContact O-CA 3.3Å; S392-L407 PolarHBondContact N-O 2.77Å; S392-L407 PolarHBondContact O-N 2.83Å; S392-E687 WeakPolarHBondContact CB-OE2 3.33Å; S392-E687 PolarHBondContact OG-OE2 3.12Å |
| 393 | Q | 96.2 | Very high | 89.1 | Confident | 49 Ų | 49 | 41.4 Ų | 41.4 | 23% | 0.229 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.2 | 179.5 | -179.6 | 172.7 | 65 | 0 | 0 | 110.2 | A212 Q213 M404 I405 T406 | A212-Q393 HydrophobicContact CB-CB 3.86Å; Q213-Q393 PolarHBondContact O-NE2 3.13Å; Q393-M404 HydrophobicContact CG-CB 4.36Å; Q393-M404 HydrophobicContact CG-SD 4.2Å; Q393-I405 CarbonylContact C-O 3.6Å; Q393-I405 VanDerWaalsContact CA-O 3.31Å; Q393-I405 WeakPolarHBondContact CA-O 3.32Å; Q393-T406 HydrophobicContact CB-CG2 4.39Å; Q393-T406 PolarHBondContact NE2-OG1 2.95Å |
| 394 | I | 94.4 | Very high | 89.2 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 17% | 0.169 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.6 | 170.7 | 61.4 | 179 | 0 | 0 | 0 | 110.1 | M404 I405 L680 L684 | I394-M404 WeakPolarHBondContact O-CA 3.37Å; I394-I405 HydrophobicContact CD1-CB 4.18Å; I394-I405 HydrophobicContact CD1-CD1 4.21Å; I394-I405 HydrophobicContact CG1-CB 3.77Å; I394-I405 HydrophobicContact CG1-CG1 4.38Å; I394-I405 PolarHBondContact N-O 3.13Å; I394-I405 PolarHBondContact O-N 3.09Å; I394-L680 HydrophobicContact CD1-CB 3.75Å; I394-L684 HydrophobicContact CD1-CD1 3.54Å; I394-L684 HydrophobicContact CD1-CG 4.13Å; I394-L684 HydrophobicContact CG1-CD1 3.76Å; I394-L684 HydrophobicContact CG1-CG 4.4Å; I394-L684 HydrophobicContact CG2-CD1 4.23Å; I394-L684 HydrophobicContact CG2-CD2 3.89Å; I394-L684 HydrophobicContact CG2-CG 3.93Å |
| 395 | A | 92.1 | Very high | 89.4 | Confident | 70 Ų | 70 | 42.9 Ų | 42.9 | 58% | 0.579 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | M404 | A395-M404 WeakPolarHBondContact CA-SD 3.35Å; A395-M404 HydrophobicContact CB-CE 3.65Å; A395-M404 HydrophobicContact CB-SD 3.47Å; A395-M404 WeakPolarHBondContact CB-SD 3.32Å |
| 396 | L | 87.5 | Confident | 89.6 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 142.1 | 169.7 | -58.6 | 171.7 | 0 | 0 | 0 | 108.4 | M403 I405 I677 L680 | L396-M403 HydrophobicContact CB-CG 3.56Å; L396-M403 HydrophobicContact CB-SD 3.96Å; L396-M403 HydrophobicContact CD1-CG 4.35Å; L396-M403 HydrophobicContact CD1-SD 3.88Å; L396-M403 HydrophobicContact CG-CG 4.46Å; L396-M403 PolarHBondContact N-O 3.47Å; L396-M403 WeakPolarHBondContact O-CG 3.27Å; L396-M403 PolarHBondContact O-N 3.46Å; L396-I405 HydrophobicContact CD1-CD1 3.34Å; L396-I405 HydrophobicContact CD1-CG1 3.87Å; L396-I405 HydrophobicContact CG-CD1 4.41Å; L396-I677 HydrophobicContact CD1-CD1 3.67Å; L396-I677 HydrophobicContact CD1-CG1 3.93Å; L396-L680 HydrophobicContact CD2-CD1 3.39Å |
| 397 | S | 80.6 | Confident | 89.8 | Confident | 96 Ų | 96 | 42.3 Ų | 42.3 | 67% | 0.671 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 112.9 | 171.9 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | ||
| 398 | A | 72.3 | Confident | 89.9 | Confident | 44 Ų | 44 | 41.8 Ų | 41.8 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | R400 M401 | A398-R400 PolarHBondContact O-N 3.33Å; A398-R400 VanDerWaalsContact O-N 3.14Å; A398-M401 PolarHBondContact N-O 2.9Å; A398-M401 PolarHBondContact O-N 3.25Å |
| 399 | C | 71.6 | Confident | 90 | Very high | 122 Ų | 122 | 41.3 Ų | 41.3 | 82% | 0.824 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37.4 | 178 | -57 | 0 | 0 | 0 | 0 | 114.5 | M401 | C399-M401 PolarHBondContact O-N 3.39Š|
| 400 | R | 73.7 | Confident | 90.1 | Very high | 239 Ų | 239 | 41.6 Ų | 41.6 | 90% | 0.902 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 11.3 | -177.1 | -53.3 | -177.5 | 178.5 | 168.6 | 0.1 | 116 | A398 | A398-R400 PolarHBondContact O-N 3.33Å; A398-R400 VanDerWaalsContact O-N 3.14Å |
| 401 | M | 77.3 | Confident | 90 | Very high | 54 Ų | 54 | 41.6 Ų | 41.6 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.2 | 176.5 | -65.4 | -61.7 | -62.3 | 0 | 0 | 109.2 | A398 C399 M403 D443 F665 | A398-M401 PolarHBondContact N-O 2.9Å; A398-M401 PolarHBondContact O-N 3.25Å; C399-M401 PolarHBondContact O-N 3.39Å; M401-M403 PolarHBondContact O-N 3.44Å; M401-D443 WeakPolarHBondContact CE-OD2 3.37Å; M401-F665 HydrophobicContact CB-CE1 3.64Å; M401-F665 HydrophobicContact CB-CZ 3.8Å; M401-F665 HydrophobicContact CG-CE1 4.41Å |
| 402 | P | 88.6 | Confident | 89.9 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 120 | 177.2 | 32.7 | -36.7 | 0 | 0 | 0 | 110.4 | S444 S445 | P402-S444 VanDerWaalsContact C-OG 3.23Å; P402-S444 WeakPolarHBondContact CB-OG 3.38Å; P402-S444 PolarHBondContact O-N 2.87Å; P402-S444 PolarHBondContact O-OG 2.92Å; P402-S445 VanDerWaalsContact CD-OG 3.32Å; P402-S445 WeakPolarHBondContact CD-OG 3.39Å; P402-S445 WeakPolarHBondContact CG-OG 3.47Å |
| 403 | M | 89.5 | Confident | 89.5 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 155.8 | 175.9 | 70.1 | 176.4 | 69 | 0 | 0 | 110.6 | L396 M401 H442 L660 F665 | L396-M403 HydrophobicContact CB-CG 3.56Å; L396-M403 HydrophobicContact CB-SD 3.96Å; L396-M403 HydrophobicContact CD1-CG 4.35Å; L396-M403 HydrophobicContact CD1-SD 3.88Å; L396-M403 HydrophobicContact CG-CG 4.46Å; L396-M403 PolarHBondContact N-O 3.47Å; L396-M403 WeakPolarHBondContact O-CG 3.27Å; L396-M403 PolarHBondContact O-N 3.46Å; M401-M403 PolarHBondContact O-N 3.44Å; M403-H442 WeakPolarHBondContact CA-O 3.3Å; M403-L660 HydrophobicContact CE-CD2 3.88Å; M403-L660 HydrophobicContact SD-CD2 3.59Å; M403-L660 VanDerWaalsContact SD-CD2 3.59Å; M403-F665 HydrophobicContact CE-CB 4.42Å; M403-F665 HydrophobicContact CE-CD1 3.18Å; M403-F665 HydrophobicContact CE-CD2 3.78Å; M403-F665 HydrophobicContact CE-CE1 3.07Å; M403-F665 HydrophobicContact CE-CE2 3.72Å; M403-F665 HydrophobicContact CE-CG 3.53Å; M403-F665 HydrophobicContact CE-CZ 3.38Å |
| 404 | M | 94.1 | Very high | 89 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.3 | 173.8 | -66.9 | -72.1 | 179.9 | 0 | 0 | 109.1 | Q393 I394 A395 V441 H442 | Q393-M404 HydrophobicContact CG-CB 4.36Å; Q393-M404 HydrophobicContact CG-SD 4.2Å; I394-M404 WeakPolarHBondContact O-CA 3.37Å; A395-M404 WeakPolarHBondContact CA-SD 3.35Å; A395-M404 HydrophobicContact CB-CE 3.65Å; A395-M404 HydrophobicContact CB-SD 3.47Å; A395-M404 WeakPolarHBondContact CB-SD 3.32Å; M404-V441 WeakPolarHBondContact O-CA 3.29Å; M404-H442 WeakPolarHBondContact CB-CE1 3.4Å; M404-H442 PolarHBondContact N-O 3.43Å; M404-H442 PolarHBondContact O-N 3.25Å |
| 405 | I | 95.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.4 | 168.5 | -53.1 | -177.4 | 0 | 0 | 0 | 107.4 | Q393 I394 L396 Q439 I440 V441 L656 L684 | Q393-I405 CarbonylContact C-O 3.6Å; Q393-I405 VanDerWaalsContact CA-O 3.31Å; Q393-I405 WeakPolarHBondContact CA-O 3.32Å; I394-I405 HydrophobicContact CD1-CB 4.18Å; I394-I405 HydrophobicContact CD1-CD1 4.21Å; I394-I405 HydrophobicContact CG1-CB 3.77Å; I394-I405 HydrophobicContact CG1-CG1 4.38Å; I394-I405 PolarHBondContact N-O 3.13Å; I394-I405 PolarHBondContact O-N 3.09Å; L396-I405 HydrophobicContact CD1-CD1 3.34Å; L396-I405 HydrophobicContact CD1-CG1 3.87Å; L396-I405 HydrophobicContact CG-CD1 4.41Å; I405-Q439 HydrophobicContact CG2-CG 4.37Å; I405-I440 CarbonylContact C-O 3.59Å; I405-I440 WeakPolarHBondContact CA-O 3.5Å; I405-V441 HydrophobicContact CG1-CG2 4.21Å; I405-V441 HydrophobicContact CG2-CG2 4.48Å; I405-L656 HydrophobicContact CD1-CD1 3.58Å; I405-L656 HydrophobicContact CD1-CD2 3.87Å; I405-L656 HydrophobicContact CD1-CG 4.41Å; I405-L656 HydrophobicContact CG1-CD1 4.43Å; I405-L684 HydrophobicContact CG2-CD1 4.07Å |
| 406 | T | 97.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.3 | 177.8 | -48.1 | 0 | 0 | 0 | 0 | 109.1 | A212 L214 V391 S392 Q393 I408 I440 | A212-T406 HydrophobicContact CB-CG2 4.08Å; L214-T406 HydrophobicContact CD2-CG2 4.28Å; L214-T406 WeakPolarHBondContact CD2-OG1 3.45Å; V391-T406 HydrophobicContact CG1-CG2 4.47Å; S392-T406 WeakPolarHBondContact O-CA 3.3Å; Q393-T406 HydrophobicContact CB-CG2 4.39Å; Q393-T406 PolarHBondContact NE2-OG1 2.95Å; T406-I408 HydrophobicContact CG2-CD1 4.26Å; T406-I408 HydrophobicContact CG2-CG1 3.9Å; T406-I440 PolarHBondContact N-O 2.94Å; T406-I440 PolarHBondContact O-N 3.01Å |
| 407 | L | 98.1 | Very high | 88 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.6 | 173.2 | -167 | 66.5 | 0 | 0 | 0 | 108.7 | V391 S392 T437 E438 Q439 L684 Y685 H688 | V391-L407 WeakPolarHBondContact CA-O 3.5Å; S392-L407 PolarHBondContact N-O 2.77Å; S392-L407 PolarHBondContact O-N 2.83Å; L407-T437 HydrophobicContact CD1-CG2 3.57Å; L407-T437 HydrophobicContact CG-CG2 4.1Å; L407-E438 WeakPolarHBondContact CA-O 3.39Å; L407-Q439 HydrophobicContact CD1-CB 4.05Å; L407-L684 HydrophobicContact CD2-CB 4.38Å; L407-Y685 HydrophobicContact CD1-CE1 4.28Å; L407-Y685 HydrophobicContact CD1-CE2 4.18Å; L407-Y685 HydrophobicContact CD2-CD1 4.18Å; L407-Y685 HydrophobicContact CD2-CD2 4.14Å; L407-Y685 HydrophobicContact CD2-CE1 4.16Å; L407-Y685 HydrophobicContact CD2-CE2 4.13Å; L407-Y685 HydrophobicContact CD2-CG 4.17Å; L407-H688 HydrophobicContact CD2-CB 3.76Å |
| 408 | I | 98.2 | Very high | 88.4 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.9 | -179.4 | -58.1 | 177.8 | 0 | 0 | 0 | 108.3 | L214 I219 L320 S390 V391 T406 R410 T437 E438 I440 | L214-I408 HydrophobicContact CD1-CD1 4.39Å; I219-I408 HydrophobicContact CD1-CD1 3.9Å; L320-I408 HydrophobicContact CD2-CD1 4.37Å; S390-I408 CarbonylContact O-C 3.55Å; V391-I408 HydrophobicContact CG1-CG1 4.42Å; V391-I408 HydrophobicContact CG2-CG2 4.31Å; T406-I408 HydrophobicContact CG2-CD1 4.26Å; T406-I408 HydrophobicContact CG2-CG1 3.9Å; I408-R410 HydrophobicContact CG2-CG 4.17Å; I408-T437 CarbonylContact O-C 3.51Å; I408-T437 VanDerWaalsContact O-CA 3.31Å; I408-T437 WeakPolarHBondContact O-CA 3.28Å; I408-E438 PolarHBondContact N-O 3.41Å; I408-E438 PolarHBondContact O-N 3.24Å; I408-I440 HydrophobicContact CD1-CD1 4.04Å |
| 409 | A | 97.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | G389 S390 V435 E436 L692 | G389-A409 VanDerWaalsContact CA-O 3.29Å; G389-A409 WeakPolarHBondContact CA-O 3.49Å; S390-A409 PolarHBondContact N-O 2.63Å; S390-A409 VanDerWaalsContact N-O 3.13Å; S390-A409 PolarHBondContact O-N 2.54Å; A409-V435 HydrophobicContact CB-CG1 3.83Å; A409-E436 CarbonylContact C-O 3.6Å; A409-E436 WeakPolarHBondContact CA-O 3.48Å; A409-L692 HydrophobicContact CB-CD1 4.14Å; A409-L692 HydrophobicContact CB-CD2 4.31Å |
| 410 | R | 96.6 | Very high | 89.3 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109 | 176.8 | -53.5 | 170 | 179 | 96.6 | 16.1 | 108.9 | L320 H322 Y353 I408 V435 E436 E438 | L320-R410 VanDerWaalsContact O-CD 3.27Å; L320-R410 WeakPolarHBondContact O-CD 3.49Å; L320-R410 PolarHBondContact O-NE 2.85Å; H322-R410 VanDerWaalsContact O-CZ 3.27Å; H322-R410 PolarHBondContact O-NH2 2.74Å; Y353-R410 HydrophobicContact CD1-CB 3.52Å; Y353-R410 HydrophobicContact CD2-CB 4.38Å; Y353-R410 HydrophobicContact CE1-CB 3.83Å; Y353-R410 WeakPolarHBondContact CE1-O 3.39Å; Y353-R410 HydrophobicContact CG-CB 3.83Å; I408-R410 HydrophobicContact CG2-CG 4.17Å; R410-V435 WeakPolarHBondContact O-CA 3.44Å; R410-E436 HydrophobicContact CB-CB 4.45Å; R410-E436 IonicContact CZ-OE1 2.98Å; R410-E436 PolarHBondContact N-O 2.81Å; R410-E436 IonicContact NH1-OE1 3.97Å; R410-E436 PolarHBondContact NH1-OE1 3.17Å; R410-E436 PolarHBondContact O-N 3.17Å; R410-E438 IonicContact CZ-OE2 3.58Å; R410-E438 IonicContact NH1-OE2 2.92Å; R410-E438 PolarHBondContact NH1-OE2 2.97Å; R410-E438 IonicContact NH2-OE2 3.85Å; R410-E438 PolarHBondContact NH2-OE2 3.13Å |
| 411 | R | 95.6 | Very high | 89.6 | Confident | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.011 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.1 | 175.5 | -172.7 | 179.7 | 170.3 | -175.6 | 1.9 | 109.6 | W355 H388 G417 V435 Q695 | W355-R411 HydrophobicContact CZ2-CB 4.3Å; W355-R411 HydrophobicContact CZ2-CG 3.89Å; W355-R411 PolarHBondContact NE1-O 2.94Å; H388-R411 PolarHBondContact CE1-NH1 3.21Å; H388-R411 WeakPolarHBondContact O-CB 3.28Å; H388-R411 PolarHBondContact O-N 3.31Å; R411-G417 PolarHBondContact NH2-O 2.78Å; R411-V435 HydrophobicContact CB-CG2 4.22Å; R411-V435 HydrophobicContact CG-CG2 4.07Å; R411-Q695 PolarHBondContact NH1-O 3.22Å |
| 412 | S | 93.8 | Very high | 89.8 | Confident | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | trans | -64.3 | 140.7 | 174.1 | -175 | 0 | 0 | 0 | 0 | 111.4 | K352 H414 E434 | K352-S412 VanDerWaalsContact CG-OG 3.25Å; K352-S412 WeakPolarHBondContact CG-OG 3.34Å; K352-S412 CarbonylContact O-C 3.55Å; K352-S412 WeakPolarHBondContact O-CA 3.49Å; K352-S412 PolarHBondContact O-OG 2.69Å; S412-H414 VanDerWaalsContact C-N 3.34Å; S412-H414 PolarHBondContact OG-N 2.74Å; S412-E434 PolarHBondContact N-O 2.94Å | ||
| 413 | R | 88 | Confident | 89.8 | Confident | 15 Ų | 15 | 13.3 Ų | 13.3 | 6% | 0.057 | 6% | 0.062 | C | C | . | . | S | Bend | trans | -77.3 | -23.2 | 167.4 | 79.5 | -175.1 | -173 | 119.3 | -3.7 | 112.2 | D351 K352 V354 W355 A416 L746 | D351-R413 WeakPolarHBondContact O-CD 3.23Å; D351-R413 PolarHBondContact O-NE 2.84Å; D351-R413 IonicContact OD2-CZ 2.71Å; D351-R413 IonicContact OD2-NE 3.81Å; D351-R413 IonicContact OD2-NH2 3.91Å; D351-R413 PolarHBondContact OD2-NH2 2.69Å; K352-R413 PolarHBondContact O-N 2.75Å; V354-R413 WeakPolarHBondContact O-CD 3.47Å; W355-R413 HydrophobicContact CG-CB 4.38Å; R413-A416 WeakPolarHBondContact O-CB 3.32Å; R413-L746 HydrophobicContact CB-CD2 4.05Å |
| 414 | H | 84.7 | Confident | 89.8 | Confident | 29 Ų | 29 | 13.1 Ų | 13.1 | 13% | 0.134 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 134.5 | -178.4 | -58.8 | -57.6 | 0 | 0 | 0 | 110.1 | D351 S412 A416 D430 | D351-H414 IonicContact OD2-CE1 3.73Å; D351-H414 IonicContact OD2-NE2 2.74Å; S412-H414 VanDerWaalsContact C-N 3.34Å; S412-H414 PolarHBondContact OG-N 2.74Å; H414-A416 PolarHBondContact O-N 3.48Å; H414-D430 HydrophobicContact CB-CB 3.86Å; H414-D430 VanDerWaalsContact CB-CG 3.46Å; H414-D430 WeakPolarHBondContact CB-OD2 3.22Å; H414-D430 IonicContact CG-OD2 3.49Å |
| 415 | F | 84 | Confident | 89.4 | Confident | 24 Ų | 24 | 11.1 Ų | 11.1 | 11% | 0.105 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 33.5 | -176.3 | -157 | -138.6 | 0 | 0 | 0 | 113.8 | K422 R423 N426 D430 A432 | F415-K422 HydrophobicContact CD2-CD 4.25Å; F415-K422 HydrophobicContact CE2-CD 3.87Å; F415-K422 HydrophobicContact CZ-CD 4.48Å; F415-R423 WeakPolarHBondContact CE1-O 3.38Å; F415-R423 WeakPolarHBondContact CZ-O 3.49Å; F415-N426 HydrophobicContact CD1-CB 4.36Å; F415-N426 HydrophobicContact CD2-CB 4.05Å; F415-N426 HydrophobicContact CE2-CB 4.29Å; F415-N426 HydrophobicContact CG-CB 4.12Å; F415-D430 HydrophobicContact CB-CB 4.1Å; F415-D430 WeakPolarHBondContact CD1-O 3.37Å; F415-A432 HydrophobicContact CD1-CB 3.75Å; F415-A432 VanDerWaalsContact CD1-N 3.33Å; F415-A432 HydrophobicContact CE1-CB 3.77Å |
| 416 | A | 86 | Confident | 88.5 | Confident | 2 Ų | 2 | 11.8 Ų | 11.8 | 2% | 0.017 | 6% | 0.055 | C | C | . | . | trans | -77.2 | 138.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W355 R413 H414 L746 | W355-A416 HydrophobicContact CH2-CB 3.89Å; W355-A416 HydrophobicContact CZ2-CB 4.09Å; R413-A416 WeakPolarHBondContact O-CB 3.32Å; H414-A416 PolarHBondContact O-N 3.48Å; A416-L746 HydrophobicContact CB-CD1 4.01Å | ||
| 417 | G | 85 | Confident | 87.3 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | 177.1 | -161.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114 | R411 Y696 | R411-G417 PolarHBondContact NH2-O 2.78Å; G417-Y696 VanDerWaalsContact O-CD2 3.28Å; G417-Y696 WeakPolarHBondContact O-CD2 3.33Å | ||
| 418 | R | 87.5 | Confident | 86 | Confident | 9 Ų | 9 | 14.4 Ų | 14.4 | 3% | 0.034 | 7% | 0.07 | C | C | . | . | trans | -92.5 | 157.7 | -176 | -55.8 | -63.4 | -69.3 | 175.7 | -4.7 | 112.5 | F420 L421 K422 L694 Q695 D735 K738 Q739 | R418-F420 PolarHBondContact O-N 3.15Å; R418-L421 HydrophobicContact CB-CD1 4.33Å; R418-L421 PolarHBondContact O-N 2.76Å; R418-L421 VanDerWaalsContact O-N 3.11Å; R418-K422 PolarHBondContact O-N 2.71Å; R418-L694 PolarHBondContact NH1-O 3.27Å; R418-Q695 PolarHBondContact NH1-O 2.84Å; R418-D735 HydrophobicContact CB-CB 4.06Å; R418-D735 HydrophobicContact CG-CB 4.24Å; R418-D735 WeakPolarHBondContact CG-O 3.45Å; R418-D735 IonicContact CZ-OD1 3.76Å; R418-D735 VanDerWaalsContact CZ-OD1 3.27Å; R418-D735 IonicContact NE-OD1 2.66Å; R418-D735 PolarHBondContact NE-OD1 2.79Å; R418-D735 IonicContact NE-OD2 3.25Å; R418-D735 IonicContact NH2-OD1 2.71Å; R418-D735 PolarHBondContact NH2-OD1 3.12Å; R418-K738 HydrophobicContact CG-CB 4.19Å; R418-Q739 HydrophobicContact CG-CB 4.32Å | ||
| 419 | R | 83 | Confident | 85.3 | Confident | 25 Ų | 25 | 14.4 Ų | 14.4 | 9% | 0.094 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -46.9 | -164.4 | 178 | 174.9 | 174.2 | -158.8 | -3.9 | 116.5 | R423 D639 Y696 | R419-R423 WeakPolarHBondContact O-CD 3.36Å; R419-R423 WeakPolarHBondContact O-CG 3.45Å; R419-R423 PolarHBondContact O-NE 3.33Å; R419-D639 VanDerWaalsContact CZ-CG 3.46Å; R419-D639 IonicContact CZ-OD1 3.38Å; R419-D639 IonicContact CZ-OD2 3.96Å; R419-D639 IonicContact NE-OD1 3.59Å; R419-D639 PolarHBondContact NE-OD1 3.35Å; R419-D639 IonicContact NH2-OD1 2.85Å; R419-D639 PolarHBondContact NH2-OD1 2.91Å; R419-D639 IonicContact NH2-OD2 3.81Å; R419-D639 PolarHBondContact NH2-OD2 3.29Å; R419-Y696 VanDerWaalsContact CA-CZ 3.45Å; R419-Y696 HydrophobicContact CB-CD1 4.03Å; R419-Y696 HydrophobicContact CB-CE1 3.79Å; R419-Y696 HydrophobicContact CB-CE2 4.47Å; R419-Y696 HydrophobicContact CB-CG 4.49Å; R419-Y696 HydrophobicContact CG-CD1 4.31Å; R419-Y696 HydrophobicContact CG-CE1 3.78Å; R419-Y696 PolarHBondContact N-O 3.34Å; R419-Y696 PolarHBondContact O-OH 2.93Å |
| 420 | F | 81.1 | Confident | 84.7 | Confident | 29 Ų | 29 | 14.9 Ų | 14.9 | 13% | 0.127 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -15.6 | -178.6 | -63.4 | -53.8 | 0 | 0 | 0 | 113.4 | R418 Q470 P480 N731 | R418-F420 PolarHBondContact O-N 3.15Å; F420-Q470 HydrophobicContact CD1-CB 4.14Å; F420-P480 HydrophobicContact CD1-CG 4.5Å; F420-P480 HydrophobicContact CE1-CG 4.28Å; F420-P480 HydrophobicContact CZ-CG 4.45Å; F420-N731 HydrophobicContact CD2-CB 3.87Å; F420-N731 HydrophobicContact CE2-CB 3.85Å; F420-N731 VanDerWaalsContact CE2-ND2 3.27Å; F420-N731 WeakPolarHBondContact CE2-ND2 3.43Å |
| 421 | L | 79.1 | Confident | 84.4 | Confident | 45 Ų | 45 | 14.6 Ų | 14.6 | 24% | 0.236 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -27.6 | -179.5 | -60.4 | 174.2 | 0 | 0 | 0 | 112.4 | R418 D735 W736 Q739 | R418-L421 HydrophobicContact CB-CD1 4.33Å; R418-L421 PolarHBondContact O-N 2.76Å; R418-L421 VanDerWaalsContact O-N 3.11Å; L421-D735 HydrophobicContact CD1-CB 4.44Å; L421-W736 HydrophobicContact CD1-CE3 3.92Å; L421-W736 HydrophobicContact CD2-CE3 4.12Å; L421-W736 HydrophobicContact CD2-CZ3 4.4Å; L421-Q739 HydrophobicContact CB-CG 4.35Å; L421-Q739 HydrophobicContact CD1-CB 3.52Å; L421-Q739 HydrophobicContact CD1-CG 3.93Å |
| 422 | K | 81.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 14.5 Ų | 14.5 | 5% | 0.048 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -130.8 | 110 | 175.7 | -57.3 | -61.3 | 164.7 | -161 | 0 | 111.4 | F415 R418 A432 Y696 Q739 D816 H820 | F415-K422 HydrophobicContact CD2-CD 4.25Å; F415-K422 HydrophobicContact CE2-CD 3.87Å; F415-K422 HydrophobicContact CZ-CD 4.48Å; R418-K422 PolarHBondContact O-N 2.71Å; K422-A432 HydrophobicContact CB-CB 4.23Å; K422-A432 WeakPolarHBondContact O-CB 3.43Å; K422-Y696 PolarHBondContact O-OH 2.87Å; K422-Q739 VanDerWaalsContact CE-NE2 3.33Å; K422-D816 WeakPolarHBondContact CE-OD2 3.41Å; K422-D816 IonicContact NZ-OD1 2.75Å; K422-D816 IonicContact NZ-OD2 3.16Å; K422-D816 PolarHBondContact NZ-OD2 3.01Å; K422-H820 WeakPolarHBondContact CE-NE2 3.48Å; K422-H820 PolarHBondContact NZ-CD2 2.82Å; K422-H820 PolarHBondContact NZ-NE2 2.76Å |
| 423 | R | 88.2 | Confident | 84 | Confident | 14 Ų | 14 | 14.5 Ų | 14.5 | 5% | 0.053 | 7% | 0.071 | C | C | . | . | trans | -141.2 | 161.4 | 174.4 | -68.4 | -173.1 | 171.3 | -147.2 | -2.1 | 109.9 | F415 R419 W468 D639 | F415-R423 WeakPolarHBondContact CE1-O 3.38Å; F415-R423 WeakPolarHBondContact CZ-O 3.49Å; R419-R423 WeakPolarHBondContact O-CD 3.36Å; R419-R423 WeakPolarHBondContact O-CG 3.45Å; R419-R423 PolarHBondContact O-NE 3.33Å; R423-W468 CarbonylContact C-O 3.58Å; R423-W468 HydrophobicContact CB-CD2 4.44Å; R423-W468 HydrophobicContact CB-CZ2 4.28Å; R423-W468 WeakPolarHBondContact CB-O 3.2Å; R423-W468 HydrophobicContact CG-CH2 4.49Å; R423-D639 IonicContact CZ-OD1 3.03Å; R423-D639 IonicContact NH1-OD1 2.72Å; R423-D639 IonicContact NH2-OD1 3.4Å; R423-D639 PolarHBondContact NH2-OD1 2.93Å | ||
| 424 | G | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 79.9 | -147.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V431 A432 S463 V464 L466 | G424-V431 WeakPolarHBondContact O-CA 3.18Å; G424-A432 PolarHBondContact O-N 2.81Å; G424-S463 PolarHBondContact N-OG 3.42Å; G424-V464 WeakPolarHBondContact CA-O 3.21Å; G424-L466 CarbonylContact C-O 3.52Å; G424-L466 WeakPolarHBondContact CA-O 3.49Å |
| 425 | V | 85.5 | Confident | 84.9 | Confident | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.03 | 6% | 0.063 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 151 | 179.4 | 72.1 | 0 | 0 | 0 | 0 | 110.6 | D430 V431 P465 L466 F467 | V425-D430 WeakPolarHBondContact CA-O 3.44Å; V425-V431 HydrophobicContact CB-CG1 4.27Å; V425-V431 HydrophobicContact CG2-CG1 3.96Å; V425-P465 HydrophobicContact CB-CB 4.43Å; V425-L466 PolarHBondContact N-O 2.91Å; V425-L466 VanDerWaalsContact N-O 3.09Å; V425-F467 HydrophobicContact CG1-CD1 4.25Å; V425-F467 HydrophobicContact CG1-CE1 4.04Å; V425-F467 HydrophobicContact CG1-CE2 4.41Å; V425-F467 HydrophobicContact CG1-CZ 4.13Å; V425-F467 WeakPolarHBondContact O-CD1 3.48Å; V425-F467 VanDerWaalsContact O-CE1 3.3Å; V425-F467 WeakPolarHBondContact O-CE1 3.29Å |
| 426 | N | 76.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 11.8 Ų | 11.8 | 8% | 0.08 | 6% | 0.059 | C | C | . | . | trans | -89.2 | 176.1 | 167.4 | 72.8 | 9.1 | 0 | 0 | 0 | 111.3 | F415 V428 G429 D430 S493 | F415-N426 HydrophobicContact CD1-CB 4.36Å; F415-N426 HydrophobicContact CD2-CB 4.05Å; F415-N426 HydrophobicContact CE2-CB 4.29Å; F415-N426 HydrophobicContact CG-CB 4.12Å; N426-V428 WeakPolarHBondContact ND2-CG2 3.46Å; N426-V428 PolarHBondContact O-N 3.49Å; N426-V428 WeakPolarHBondContact OD1-CG2 3.48Å; N426-V428 PolarHBondContact OD1-N 2.8Å; N426-V428 VanDerWaalsContact OD1-N 3.14Å; N426-G429 PolarHBondContact O-N 3.42Å; N426-G429 PolarHBondContact OD1-N 3.38Å; N426-D430 PolarHBondContact N-O 3.49Å; N426-D430 WeakPolarHBondContact ND2-CB 3.31Å; N426-D430 PolarHBondContact ND2-OD2 2.86Å; N426-D430 VanDerWaalsContact ND2-OD2 3.11Å; N426-D430 PolarHBondContact OD1-N 3.28Å; N426-D430 PolarHBondContact OD1-O 3.12Å; N426-S493 WeakPolarHBondContact O-CB 3.31Å; N426-S493 PolarHBondContact O-OG 2.99Å | ||
| 427 | L | 72.5 | Confident | 86.2 | Confident | 24 Ų | 24 | 11.7 Ų | 11.7 | 13% | 0.126 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.8 | -176.8 | -65 | 171.2 | 0 | 0 | 0 | 114.1 | F467 S493 A824 L828 | L427-F467 HydrophobicContact CD2-CE1 4.15Å; L427-F467 HydrophobicContact CD2-CZ 3.89Å; L427-S493 WeakPolarHBondContact CA-OG 3.2Å; L427-S493 PolarHBondContact O-OG 3.33Å; L427-S493 VanDerWaalsContact O-OG 3.06Å; L427-A824 HydrophobicContact CB-CB 4.21Å; L427-A824 HydrophobicContact CD1-CB 4.23Å; L427-L828 HydrophobicContact CD1-CD1 4.42Å |
| 428 | V | 71.3 | Confident | 86.8 | Confident | 34 Ų | 34 | 11.7 Ų | 11.7 | 21% | 0.206 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 5.6 | -178.3 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | N426 D430 R827 L828 | N426-V428 WeakPolarHBondContact ND2-CG2 3.46Å; N426-V428 PolarHBondContact O-N 3.49Å; N426-V428 WeakPolarHBondContact OD1-CG2 3.48Å; N426-V428 PolarHBondContact OD1-N 2.8Å; N426-V428 VanDerWaalsContact OD1-N 3.14Å; V428-D430 VanDerWaalsContact CG2-OD2 3.26Å; V428-D430 WeakPolarHBondContact CG2-OD2 3.25Å; V428-R827 HydrophobicContact CG1-CB 4.31Å; V428-L828 HydrophobicContact CG1-CD2 4.43Å |
| 429 | G | 82.9 | Confident | 87.3 | Confident | 4 Ų | 4 | 11.3 Ų | 11.3 | 4% | 0.041 | 6% | 0.057 | C | C | . | . | S | Bend | trans | 87.8 | 9.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N426 S493 H497 | N426-G429 PolarHBondContact O-N 3.42Å; N426-G429 PolarHBondContact OD1-N 3.38Å; G429-S493 VanDerWaalsContact CA-O 3.29Å; G429-S493 WeakPolarHBondContact CA-O 3.43Å; G429-H497 WeakPolarHBondContact O-CA 3.24Å; G429-H497 VanDerWaalsContact O-CB 3.24Å; G429-H497 WeakPolarHBondContact O-CB 3.45Å; G429-H497 PolarHBondContact O-ND1 2.88Å |
| 430 | D | 85.8 | Confident | 88 | Confident | 16 Ų | 16 | 10.1 Ų | 10.1 | 9% | 0.086 | 5% | 0.053 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 129.5 | 171 | -52 | -60.4 | 0 | 0 | 0 | 110.1 | H414 F415 V425 N426 V428 R827 | H414-D430 HydrophobicContact CB-CB 3.86Å; H414-D430 VanDerWaalsContact CB-CG 3.46Å; H414-D430 WeakPolarHBondContact CB-OD2 3.22Å; H414-D430 IonicContact CG-OD2 3.49Å; F415-D430 HydrophobicContact CB-CB 4.1Å; F415-D430 WeakPolarHBondContact CD1-O 3.37Å; V425-D430 WeakPolarHBondContact CA-O 3.44Å; N426-D430 PolarHBondContact N-O 3.49Å; N426-D430 WeakPolarHBondContact ND2-CB 3.31Å; N426-D430 PolarHBondContact ND2-OD2 2.86Å; N426-D430 VanDerWaalsContact ND2-OD2 3.11Å; N426-D430 PolarHBondContact OD1-N 3.28Å; N426-D430 PolarHBondContact OD1-O 3.12Å; V428-D430 VanDerWaalsContact CG2-OD2 3.26Å; V428-D430 WeakPolarHBondContact CG2-OD2 3.25Å; D430-R827 IonicContact OD2-NH1 2.59Å |
| 431 | V | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.047 | C | C | . | . | B | Isolated β-bridge | trans | -96.2 | 146.5 | -179.8 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | G424 V425 E434 P465 | G424-V431 WeakPolarHBondContact O-CA 3.18Å; V425-V431 HydrophobicContact CB-CG1 4.27Å; V425-V431 HydrophobicContact CG2-CG1 3.96Å; V431-E434 HydrophobicContact CG2-CB 3.84Å; V431-E434 HydrophobicContact CG2-CG 4.12Å; V431-P465 HydrophobicContact CG1-CB 3.76Å |
| 432 | A | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 145.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F415 K422 G424 E434 S463 | F415-A432 HydrophobicContact CD1-CB 3.75Å; F415-A432 VanDerWaalsContact CD1-N 3.33Å; F415-A432 HydrophobicContact CE1-CB 3.77Å; K422-A432 HydrophobicContact CB-CB 4.23Å; K422-A432 WeakPolarHBondContact O-CB 3.43Å; G424-A432 PolarHBondContact O-N 2.81Å; A432-E434 PolarHBondContact O-N 3.42Å; A432-S463 VanDerWaalsContact O-CB 3.3Å; A432-S463 WeakPolarHBondContact O-CB 3.17Å; A432-S463 PolarHBondContact O-N 2.64Å |
| 433 | N | 90.2 | Very high | 89.5 | Confident | 4 Ų | 4 | 6.6 Ų | 6.6 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 35.2 | 179.3 | -162.9 | 32.8 | 0 | 0 | 0 | 113.4 | V435 C640 Y696 | N433-V435 PolarHBondContact O-N 3.5Å; N433-C640 PolarHBondContact ND2-O 3.19Å; N433-Y696 HydrophobicContact CB-CD1 4.39Å; N433-Y696 HydrophobicContact CB-CD2 3.81Å; N433-Y696 HydrophobicContact CB-CE1 4.21Å; N433-Y696 HydrophobicContact CB-CE2 3.64Å; N433-Y696 HydrophobicContact CB-CG 4.2Å; N433-Y696 WeakPolarHBondContact ND2-CD1 3.37Å |
| 434 | E | 95 | Very high | 89.6 | Confident | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.009 | 5% | 0.047 | C | C | . | . | trans | -65.4 | 121.7 | 170.9 | -166.4 | 178.3 | 162.3 | 0 | 0 | 109.7 | K352 S412 V431 A432 R461 R504 | K352-E434 VanDerWaalsContact NZ-CD 3.25Å; K352-E434 IonicContact NZ-OE1 3.71Å; K352-E434 PolarHBondContact NZ-OE1 3.1Å; K352-E434 IonicContact NZ-OE2 3.18Å; K352-E434 PolarHBondContact NZ-OE2 3.06Å; S412-E434 PolarHBondContact N-O 2.94Å; V431-E434 HydrophobicContact CG2-CB 3.84Å; V431-E434 HydrophobicContact CG2-CG 4.12Å; A432-E434 PolarHBondContact O-N 3.42Å; E434-R461 WeakPolarHBondContact CA-O 3.22Å; E434-R504 IonicContact OE1-CZ 2.86Å; E434-R504 IonicContact OE1-NH1 3.81Å; E434-R504 IonicContact OE1-NH2 3.47Å; E434-R504 PolarHBondContact OE1-NH2 3.44Å | ||
| 435 | V | 97.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | A409 R410 R411 N433 M460 R461 L692 | A409-V435 HydrophobicContact CB-CG1 3.83Å; R410-V435 WeakPolarHBondContact O-CA 3.44Å; R411-V435 HydrophobicContact CB-CG2 4.22Å; R411-V435 HydrophobicContact CG-CG2 4.07Å; N433-V435 PolarHBondContact O-N 3.5Å; V435-M460 WeakPolarHBondContact O-CA 3.35Å; V435-R461 HydrophobicContact CB-CG 3.97Å; V435-R461 PolarHBondContact N-O 2.94Å; V435-R461 PolarHBondContact O-N 3.4Å; V435-L692 HydrophobicContact CG1-CD1 3.98Å; V435-L692 HydrophobicContact CG1-CD2 4.25Å; V435-L692 HydrophobicContact CG2-CD2 4.32Å |
| 436 | E | 97.4 | Very high | 89.2 | Confident | 8 Ų | 8 | 14.1 Ų | 14.1 | 4% | 0.037 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.4 | 170.1 | -174.4 | -176.3 | 118.5 | 0 | 0 | 108.7 | Y353 A409 R410 V458 R504 H505 | Y353-E436 HydrophobicContact CE1-CB 4.25Å; Y353-E436 VanDerWaalsContact OH-CB 3.31Å; Y353-E436 WeakPolarHBondContact OH-CB 3.5Å; Y353-E436 PolarHBondContact OH-OE2 2.88Å; A409-E436 CarbonylContact C-O 3.6Å; A409-E436 WeakPolarHBondContact CA-O 3.48Å; R410-E436 HydrophobicContact CB-CB 4.45Å; R410-E436 IonicContact CZ-OE1 2.98Å; R410-E436 PolarHBondContact N-O 2.81Å; R410-E436 IonicContact NH1-OE1 3.97Å; R410-E436 PolarHBondContact NH1-OE1 3.17Å; R410-E436 PolarHBondContact O-N 3.17Å; E436-V458 HydrophobicContact CG-CG1 3.27Å; E436-R504 IonicContact OE2-NH1 3.86Å; E436-H505 IonicContact OE2-CE1 3.27Å; E436-H505 PolarHBondContact OE2-CE1 2.78Å; E436-H505 IonicContact OE2-NE2 3.81Å |
| 437 | T | 98.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.3 | 179.1 | -54.6 | 0 | 0 | 0 | 0 | 108.6 | L407 I408 Q459 Q648 H688 | L407-T437 HydrophobicContact CD1-CG2 3.57Å; L407-T437 HydrophobicContact CG-CG2 4.1Å; I408-T437 CarbonylContact O-C 3.51Å; I408-T437 VanDerWaalsContact O-CA 3.31Å; I408-T437 WeakPolarHBondContact O-CA 3.28Å; T437-Q459 PolarHBondContact N-O 3.48Å; T437-Q459 WeakPolarHBondContact O-CG 3.35Å; T437-Q459 PolarHBondContact O-N 2.99Å; T437-Q648 PolarHBondContact OG1-NE2 3.44Å; T437-H688 WeakPolarHBondContact CG2-NE2 3.43Å; T437-H688 PolarHBondContact OG1-NE2 2.83Å |
| 438 | E | 98.3 | Very high | 90 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.1 | 177.3 | -174.4 | 178.8 | -174.7 | 0 | 0 | 110.8 | S323 L324 L407 I408 R410 I440 S456 Y457 V458 | S323-E438 WeakPolarHBondContact CA-OE2 3.36Å; L324-E438 WeakPolarHBondContact CB-OE1 3.27Å; L324-E438 PolarHBondContact N-OE1 3.35Å; L407-E438 WeakPolarHBondContact CA-O 3.39Å; I408-E438 PolarHBondContact N-O 3.41Å; I408-E438 PolarHBondContact O-N 3.24Å; R410-E438 IonicContact CZ-OE2 3.58Å; R410-E438 IonicContact NH1-OE2 2.92Å; R410-E438 PolarHBondContact NH1-OE2 2.97Å; R410-E438 IonicContact NH2-OE2 3.85Å; R410-E438 PolarHBondContact NH2-OE2 3.13Å; E438-I440 HydrophobicContact CG-CD1 4.34Å; E438-I440 HydrophobicContact CG-CG1 3.86Å; E438-S456 VanDerWaalsContact CD-OG 3.24Å; E438-S456 WeakPolarHBondContact CG-OG 3.29Å; E438-S456 WeakPolarHBondContact OE1-CB 3.45Å; E438-S456 PolarHBondContact OE1-OG 3.47Å; E438-Y457 WeakPolarHBondContact CA-O 3.31Å; E438-V458 HydrophobicContact CB-CG2 4.27Å; E438-V458 HydrophobicContact CG-CG2 3.96Å |
| 439 | Q | 98.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.4 | 174.2 | -178.8 | 176.3 | -63 | 0 | 0 | 109.6 | I405 L407 S456 Y457 G652 Q659 Y685 | I405-Q439 HydrophobicContact CG2-CG 4.37Å; L407-Q439 HydrophobicContact CD1-CB 4.05Å; Q439-S456 WeakPolarHBondContact O-CA 3.49Å; Q439-Y457 PolarHBondContact N-O 3.34Å; Q439-Y457 PolarHBondContact O-N 3.02Å; Q439-Y457 VanDerWaalsContact O-N 3.07Å; Q439-G652 PolarHBondContact NE2-O 2.93Å; Q439-G652 VanDerWaalsContact OE1-CA 3.26Å; Q439-G652 PolarHBondContact OE1-O 3.29Å; Q439-Q659 PolarHBondContact O-NE2 3.14Å; Q439-Q659 VanDerWaalsContact O-NE2 3.13Å; Q439-Y685 PolarHBondContact OE1-OH 2.84Å |
| 440 | I | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.3 | -179.4 | -58.1 | 173.5 | 0 | 0 | 0 | 109.2 | L214 L324 I405 T406 I408 E438 S455 | L214-I440 HydrophobicContact CD1-CD1 3.86Å; L214-I440 HydrophobicContact CD2-CD1 4.29Å; L214-I440 HydrophobicContact CD2-CG2 4.09Å; L324-I440 HydrophobicContact CB-CD1 4.14Å; L324-I440 HydrophobicContact CB-CG1 4.43Å; L324-I440 HydrophobicContact CD2-CG1 4.45Å; L324-I440 HydrophobicContact CD2-CG2 3.88Å; I405-I440 CarbonylContact C-O 3.59Å; I405-I440 WeakPolarHBondContact CA-O 3.5Å; T406-I440 PolarHBondContact N-O 2.94Å; T406-I440 PolarHBondContact O-N 3.01Å; I408-I440 HydrophobicContact CD1-CD1 4.04Å; E438-I440 HydrophobicContact CG-CD1 4.34Å; E438-I440 HydrophobicContact CG-CG1 3.86Å; I440-S455 CarbonylContact C-O 3.6Å; I440-S455 WeakPolarHBondContact CA-O 3.29Å |
| 441 | V | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.3 | 168.1 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | M404 I405 V454 S455 L656 Q659 L663 | M404-V441 WeakPolarHBondContact O-CA 3.29Å; I405-V441 HydrophobicContact CG1-CG2 4.21Å; I405-V441 HydrophobicContact CG2-CG2 4.48Å; V441-V454 CarbonylContact O-C 3.56Å; V441-V454 WeakPolarHBondContact O-CA 3.44Å; V441-S455 PolarHBondContact N-O 2.91Å; V441-S455 PolarHBondContact O-N 3.25Å; V441-L656 HydrophobicContact CG2-CD1 3.79Å; V441-Q659 HydrophobicContact CG2-CB 4.12Å; V441-Q659 VanDerWaalsContact CG2-OE1 3.29Å; V441-L663 HydrophobicContact CB-CD1 3.96Å; V441-L663 HydrophobicContact CG1-CD1 3.5Å |
| 442 | H | 91.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.5 | 176.3 | 72.5 | -78.6 | 0 | 0 | 0 | 112.6 | Q213 G215 M403 M404 S444 L449 R453 V454 | Q213-H442 PolarHBondContact O-CE1 2.95Å; Q213-H442 PolarHBondContact O-NE2 2.97Å; G215-H442 PolarHBondContact N-NE2 3.19Å; M403-H442 WeakPolarHBondContact CA-O 3.3Å; M404-H442 WeakPolarHBondContact CB-CE1 3.4Å; M404-H442 PolarHBondContact N-O 3.43Å; M404-H442 PolarHBondContact O-N 3.25Å; H442-S444 PolarHBondContact O-N 2.6Å; H442-L449 HydrophobicContact CB-CD1 4.08Å; H442-R453 WeakPolarHBondContact CA-O 3.21Å; H442-V454 HydrophobicContact CB-CB 4.21Å; H442-V454 HydrophobicContact CB-CG1 3.72Å |
| 443 | D | 88.5 | Confident | 89.6 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 115.4 | 169 | -173.1 | -8.2 | 0 | 0 | 0 | 110 | M401 S445 Y446 R453 | M401-D443 WeakPolarHBondContact CE-OD2 3.37Å; D443-S445 VanDerWaalsContact C-N 3.28Å; D443-S445 WeakPolarHBondContact OD1-CB 3.31Å; D443-S445 PolarHBondContact OD1-N 3.42Å; D443-S445 PolarHBondContact OD1-OG 2.89Å; D443-Y446 HydrophobicContact CB-CD2 4.35Å; D443-Y446 WeakPolarHBondContact OD2-CE2 3.25Å; D443-R453 HydrophobicContact CB-CB 4.3Å; D443-R453 PolarHBondContact N-O 3.14Å |
| 444 | S | 88.5 | Confident | 89.6 | Confident | 42 Ų | 42 | 31.4 Ų | 31.4 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -0.4 | -179 | 62.4 | 0 | 0 | 0 | 0 | 113.4 | P402 H442 Y446 | P402-S444 VanDerWaalsContact C-OG 3.23Å; P402-S444 WeakPolarHBondContact CB-OG 3.38Å; P402-S444 PolarHBondContact O-N 2.87Å; P402-S444 PolarHBondContact O-OG 2.92Å; H442-S444 PolarHBondContact O-N 2.6Å; S444-Y446 PolarHBondContact O-N 3.1Å |
| 445 | S | 85.5 | Confident | 89.4 | Confident | 60 Ų | 60 | 31.3 Ų | 31.3 | 42% | 0.42 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.6 | 175.4 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | P402 D443 | P402-S445 VanDerWaalsContact CD-OG 3.32Å; P402-S445 WeakPolarHBondContact CD-OG 3.39Å; P402-S445 WeakPolarHBondContact CG-OG 3.47Å; D443-S445 VanDerWaalsContact C-N 3.28Å; D443-S445 WeakPolarHBondContact OD1-CB 3.31Å; D443-S445 PolarHBondContact OD1-N 3.42Å; D443-S445 PolarHBondContact OD1-OG 2.89Å |
| 446 | Y | 82.9 | Confident | 89.3 | Confident | 74 Ų | 74 | 31.4 Ų | 31.4 | 29% | 0.29 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -104.3 | 131.1 | -178.6 | -62 | -89.2 | 0 | 0 | 0 | 110.6 | D443 S444 F448 H451 | D443-Y446 HydrophobicContact CB-CD2 4.35Å; D443-Y446 WeakPolarHBondContact OD2-CE2 3.25Å; S444-Y446 PolarHBondContact O-N 3.1Å; Y446-F448 VanDerWaalsContact C-N 3.27Å; Y446-F448 PolarHBondContact O-N 3.43Å; Y446-H451 HydrophobicContact CD1-CB 4.36Å |
| 447 | S | 82 | Confident | 89.3 | Confident | 95 Ų | 95 | 31.1 Ų | 31.1 | 66% | 0.664 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -67.4 | -28.9 | 177.6 | -51.2 | 0 | 0 | 0 | 0 | 113.4 | G215 E216 | G215-S447 CarbonylContact C-O 3.57Å; G215-S447 VanDerWaalsContact C-O 3.32Å; E216-S447 PolarHBondContact N-O 3.23Å |
| 448 | F | 83.2 | Confident | 89.3 | Confident | 83 Ų | 83 | 31.4 Ų | 31.4 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -109.7 | 123 | -179.5 | -65.4 | -73.5 | 0 | 0 | 0 | 109.7 | V3 E216 Y446 R450 H451 G452 | V3-F448 HydrophobicContact CG2-CE1 4.32Å; E216-F448 HydrophobicContact CB-CD1 4.32Å; E216-F448 HydrophobicContact CG-CD1 4.41Å; E216-F448 WeakPolarHBondContact OE2-CA 2.94Å; Y446-F448 VanDerWaalsContact C-N 3.27Å; Y446-F448 PolarHBondContact O-N 3.43Å; F448-R450 PolarHBondContact O-N 3.33Å; F448-H451 HydrophobicContact CB-CB 4.41Å; F448-H451 WeakPolarHBondContact CB-ND1 3.17Å; F448-H451 AromaticContact CG-ND1 3.89Å; F448-H451 PolarHBondContact O-N 2.87Å; F448-G452 PolarHBondContact O-N 3.39Å |
| 449 | L | 85.6 | Confident | 89.2 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.6 | -177.6 | -167.6 | 67 | 0 | 0 | 0 | 111.6 | L214 E216 L324 M328 H442 H451 G452 V454 | L214-L449 HydrophobicContact CB-CD1 4.44Å; L214-L449 HydrophobicContact CB-CD2 4.22Å; E216-L449 VanDerWaalsContact OE2-CB 3.32Å; E216-L449 WeakPolarHBondContact OE2-CB 3.49Å; E216-L449 PolarHBondContact OE2-N 3.35Å; L324-L449 HydrophobicContact CD1-CD2 3.62Å; M328-L449 HydrophobicContact SD-CD2 4.26Å; M328-L449 HydrophobicContact SD-CG 4.31Å; H442-L449 HydrophobicContact CB-CD1 4.08Å; L449-H451 VanDerWaalsContact C-N 3.25Å; L449-H451 PolarHBondContact O-N 3.41Å; L449-G452 PolarHBondContact O-N 3.23Å; L449-V454 HydrophobicContact CD1-CG1 3.67Å; L449-V454 HydrophobicContact CG-CG1 4.1Å |
| 450 | R | 81.5 | Confident | 89.2 | Confident | 123 Ų | 123 | 31.4 Ų | 31.4 | 46% | 0.464 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20 | 176.8 | -69.6 | -173.5 | 174.4 | -152.7 | -5.8 | 114.9 | M328 F448 S607 | M328-R450 HydrophobicContact CE-CB 4.38Å; M328-R450 HydrophobicContact CE-CG 3.96Å; M328-R450 HydrophobicContact SD-CG 3.83Å; F448-R450 PolarHBondContact O-N 3.33Å; R450-S607 WeakPolarHBondContact O-CB 3.3Å; R450-S607 PolarHBondContact O-OG 3.1Å |
| 451 | H | 80.9 | Confident | 89.2 | Confident | 103 Ų | 103 | 31.4 Ų | 31.4 | 48% | 0.477 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -19.8 | 177.6 | -64.6 | 89.7 | 0 | 0 | 0 | 112.2 | Y446 F448 L449 | Y446-H451 HydrophobicContact CD1-CB 4.36Å; F448-H451 HydrophobicContact CB-CB 4.41Å; F448-H451 WeakPolarHBondContact CB-ND1 3.17Å; F448-H451 AromaticContact CG-ND1 3.89Å; F448-H451 PolarHBondContact O-N 2.87Å; L449-H451 VanDerWaalsContact C-N 3.25Å; L449-H451 PolarHBondContact O-N 3.41Å |
| 452 | G | 79 | Confident | 89.2 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -80.4 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F448 L449 | F448-G452 PolarHBondContact O-N 3.39Å; L449-G452 PolarHBondContact O-N 3.23Å |
| 453 | R | 85.9 | Confident | 89.3 | Confident | 48 Ų | 48 | 31.3 Ų | 31.3 | 18% | 0.181 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.5 | 169.1 | -53.9 | 175.1 | -168.5 | 168.6 | 5.2 | 107.8 | H442 D443 L663 | H442-R453 WeakPolarHBondContact CA-O 3.21Å; D443-R453 HydrophobicContact CB-CB 4.3Å; D443-R453 PolarHBondContact N-O 3.14Å; R453-L663 HydrophobicContact CB-CD2 3.64Å |
| 454 | V | 90 | Very high | 89.7 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.2 | -175.5 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | L324 M328 V441 H442 L449 S605 | L324-V454 HydrophobicContact CD2-CB 4.14Å; L324-V454 HydrophobicContact CD2-CG2 4.05Å; M328-V454 HydrophobicContact CE-CG2 3.95Å; V441-V454 CarbonylContact O-C 3.56Å; V441-V454 WeakPolarHBondContact O-CA 3.44Å; H442-V454 HydrophobicContact CB-CB 4.21Å; H442-V454 HydrophobicContact CB-CG1 3.72Å; L449-V454 HydrophobicContact CD1-CG1 3.67Å; L449-V454 HydrophobicContact CG-CG1 4.1Å; V454-S605 PolarHBondContact N-O 2.93Å; V454-S605 PolarHBondContact O-N 2.98Å |
| 455 | S | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147.3 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | I440 V441 I602 Y603 F604 Q659 | I440-S455 CarbonylContact C-O 3.6Å; I440-S455 WeakPolarHBondContact CA-O 3.29Å; V441-S455 PolarHBondContact N-O 2.91Å; V441-S455 PolarHBondContact O-N 3.25Å; S455-I602 WeakPolarHBondContact OG-CG2 3.48Å; S455-Y603 WeakPolarHBondContact CA-O 3.35Å; S455-Y603 WeakPolarHBondContact CB-O 3.27Å; S455-Y603 PolarHBondContact OG-O 3.37Å; S455-F604 WeakPolarHBondContact OG-CE1 3.14Å; S455-Q659 WeakPolarHBondContact OG-CG 3.5Å; S455-Q659 PolarHBondContact OG-NE2 2.95Å |
| 456 | S | 94.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148.6 | 174.7 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | E438 Q439 Y603 | E438-S456 VanDerWaalsContact CD-OG 3.24Å; E438-S456 WeakPolarHBondContact CG-OG 3.29Å; E438-S456 WeakPolarHBondContact OE1-CB 3.45Å; E438-S456 PolarHBondContact OE1-OG 3.47Å; Q439-S456 WeakPolarHBondContact O-CA 3.49Å; S456-Y603 PolarHBondContact N-O 3.25Å; S456-Y603 WeakPolarHBondContact O-CB 3.28Å; S456-Y603 PolarHBondContact O-N 3.49Å |
| 457 | Y | 96.9 | Very high | 90.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 133.3 | 169.2 | -172.1 | -96.9 | 0 | 0 | 0 | 110.6 | E438 Q439 Q459 V597 T600 G601 I602 I633 I651 V655 | E438-Y457 WeakPolarHBondContact CA-O 3.31Å; Q439-Y457 PolarHBondContact N-O 3.34Å; Q439-Y457 PolarHBondContact O-N 3.02Å; Q439-Y457 VanDerWaalsContact O-N 3.07Å; Y457-Q459 HydrophobicContact CE1-CB 4.22Å; Y457-V597 HydrophobicContact CE2-CG1 4.48Å; Y457-T600 WeakPolarHBondContact CE2-OG1 3.23Å; Y457-T600 PolarHBondContact OH-OG1 2.96Å; Y457-G601 VanDerWaalsContact CE2-O 3.29Å; Y457-G601 WeakPolarHBondContact CE2-O 3.4Å; Y457-I602 HydrophobicContact CD2-CB 4.46Å; Y457-I602 HydrophobicContact CD2-CG1 3.86Å; Y457-I602 HydrophobicContact CE2-CG1 4.3Å; Y457-I633 WeakPolarHBondContact OH-CD1 3.22Å; Y457-I633 WeakPolarHBondContact OH-CG1 3.36Å; Y457-I651 HydrophobicContact CD1-CG2 4.38Å; Y457-I651 HydrophobicContact CE1-CG2 3.73Å; Y457-V655 HydrophobicContact CD1-CB 4.37Å; Y457-V655 HydrophobicContact CD1-CG1 4.07Å; Y457-V655 HydrophobicContact CD1-CG2 3.49Å; Y457-V655 VanDerWaalsContact CD1-CG2 3.49Å; Y457-V655 HydrophobicContact CD2-CG1 4.4Å; Y457-V655 HydrophobicContact CD2-CG2 4.08Å; Y457-V655 HydrophobicContact CE1-CG2 3.68Å; Y457-V655 HydrophobicContact CE2-CG2 4.24Å; Y457-V655 HydrophobicContact CG-CB 4.37Å; Y457-V655 HydrophobicContact CG-CG1 3.7Å; Y457-V655 HydrophobicContact CG-CG2 3.68Å |
| 458 | V | 97.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.036 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.6 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | E436 E438 Q629 I632 | E436-V458 HydrophobicContact CG-CG1 3.27Å; E438-V458 HydrophobicContact CB-CG2 4.27Å; E438-V458 HydrophobicContact CG-CG2 3.96Å; V458-Q629 PolarHBondContact O-NE2 3.18Å; V458-I632 HydrophobicContact CB-CD1 4.34Å; V458-I632 HydrophobicContact CG1-CD1 3.82Å |
| 459 | Q | 97.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 158.3 | 170.4 | 56.9 | 175.7 | -47.9 | 0 | 0 | 109.4 | T437 Y457 Q648 I651 Y685 | T437-Q459 PolarHBondContact N-O 3.48Å; T437-Q459 WeakPolarHBondContact O-CG 3.35Å; T437-Q459 PolarHBondContact O-N 2.99Å; Y457-Q459 HydrophobicContact CE1-CB 4.22Å; Q459-Q648 PolarHBondContact NE2-O 3.48Å; Q459-Q648 VanDerWaalsContact OE1-CA 3.26Å; Q459-Q648 VanDerWaalsContact OE1-CB 3.32Å; Q459-Q648 VanDerWaalsContact OE1-CG 3.25Å; Q459-I651 HydrophobicContact CB-CG2 4.39Å; Q459-Y685 PolarHBondContact NE2-OH 2.91Å; Q459-Y685 VanDerWaalsContact NE2-OH 3.13Å |
| 460 | M | 96.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156 | 174.8 | 78.9 | -104.7 | -59.6 | 0 | 0 | 113.9 | V435 L501 H505 I632 I633 R634 V635 | V435-M460 WeakPolarHBondContact O-CA 3.35Å; M460-L501 HydrophobicContact CE-CD2 3.1Å; M460-L501 HydrophobicContact CG-CD2 4.47Å; M460-L501 HydrophobicContact SD-CD2 3.74Å; M460-H505 WeakPolarHBondContact CE-CD2 3.42Å; M460-H505 VanDerWaalsContact CE-NE2 3.27Å; M460-H505 WeakPolarHBondContact CE-NE2 3.41Å; M460-I632 HydrophobicContact CB-CD1 4.38Å; M460-I632 HydrophobicContact CE-CB 4.33Å; M460-I632 HydrophobicContact CE-CD1 3.2Å; M460-I632 HydrophobicContact CE-CG1 3.84Å; M460-I632 HydrophobicContact CE-CG2 3.77Å; M460-I632 HydrophobicContact SD-CB 3.94Å; M460-I632 HydrophobicContact SD-CD1 3.4Å; M460-I632 WeakPolarHBondContact SD-CD1 3.27Å; M460-I632 HydrophobicContact SD-CG1 3.34Å; M460-I632 WeakPolarHBondContact SD-CG1 3.49Å; M460-I632 HydrophobicContact SD-CG2 3.39Å; M460-I632 WeakPolarHBondContact SD-CG2 3.38Å; M460-I633 PolarHBondContact N-O 3.38Å; M460-R634 HydrophobicContact CG-CB 3.99Å; M460-R634 HydrophobicContact CG-CG 4.08Å; M460-R634 CarbonylContact O-C 3.5Å; M460-R634 WeakPolarHBondContact O-CA 3.41Å; M460-R634 HydrophobicContact SD-CB 3.92Å; M460-V635 PolarHBondContact O-N 2.76Å |
| 461 | R | 97 | Very high | 89.4 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 0% | 0.004 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.7 | 167.6 | 74 | -161.6 | -152.8 | 167.6 | 10.7 | 110.3 | E434 V435 V635 L692 | E434-R461 WeakPolarHBondContact CA-O 3.22Å; V435-R461 HydrophobicContact CB-CG 3.97Å; V435-R461 PolarHBondContact N-O 2.94Å; V435-R461 PolarHBondContact O-N 3.4Å; R461-V635 VanDerWaalsContact CA-O 3.26Å; R461-V635 WeakPolarHBondContact CA-O 3.45Å; R461-V635 WeakPolarHBondContact CB-O 3.35Å; R461-L692 VanDerWaalsContact NH2-CD1 3.25Å |
| 462 | G | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | 179 | 164.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C640 | G462-C640 VanDerWaalsContact C-SG 3.54Å; G462-C640 PolarHBondContact O-SG 2.89Å | ||
| 463 | S | 94.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | trans | -56.7 | 156.8 | -180 | -158.8 | 0 | 0 | 0 | 0 | 112.2 | G424 A432 R634 | G424-S463 PolarHBondContact N-OG 3.42Å; A432-S463 VanDerWaalsContact O-CB 3.3Å; A432-S463 WeakPolarHBondContact O-CB 3.17Å; A432-S463 PolarHBondContact O-N 2.64Å; S463-R634 PolarHBondContact O-NH2 2.89Å | ||
| 464 | V | 95.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -59.9 | 126.6 | 173 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | G424 L466 W468 M515 L527 F531 | G424-V464 WeakPolarHBondContact CA-O 3.21Å; V464-L466 HydrophobicContact CG1-CB 4.43Å; V464-L466 HydrophobicContact CG1-CD1 3.85Å; V464-L466 HydrophobicContact CG1-CG 3.97Å; V464-L466 PolarHBondContact O-N 3.42Å; V464-W468 PolarHBondContact O-NE1 2.99Å; V464-M515 HydrophobicContact CG2-CE 3.63Å; V464-M515 HydrophobicContact CG2-SD 3.79Å; V464-L527 HydrophobicContact CB-CD1 4.43Å; V464-L527 HydrophobicContact CB-CD2 4.14Å; V464-L527 HydrophobicContact CB-CG 4.3Å; V464-L527 HydrophobicContact CG1-CD1 4.09Å; V464-L527 HydrophobicContact CG1-CD2 4.49Å; V464-L527 HydrophobicContact CG1-CG 4.1Å; V464-L527 HydrophobicContact CG2-CD2 3.89Å; V464-L527 HydrophobicContact CG2-CG 4.26Å; V464-F531 HydrophobicContact CG1-CB 3.82Å; V464-F531 HydrophobicContact CG1-CD1 4.01Å; V464-F531 HydrophobicContact CG1-CD2 4.05Å; V464-F531 HydrophobicContact CG1-CG 3.71Å | ||
| 465 | P | 94 | Very high | 84.2 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -77 | 58 | -172.3 | 33.5 | -37.9 | 0 | 0 | 0 | 112.4 | V425 V431 M494 H497 F498 F531 | V425-P465 HydrophobicContact CB-CB 4.43Å; V431-P465 HydrophobicContact CG1-CB 3.76Å; P465-M494 HydrophobicContact CB-CB 4.42Å; P465-M494 HydrophobicContact CB-CG 4.11Å; P465-M494 HydrophobicContact CG-CG 3.83Å; P465-M494 HydrophobicContact CG-SD 4.21Å; P465-M494 WeakPolarHBondContact O-CB 3.26Å; P465-H497 HydrophobicContact CB-CB 4.39Å; P465-F498 HydrophobicContact CG-CE2 4.45Å; P465-F531 HydrophobicContact CG-CD2 4.01Å; P465-F531 HydrophobicContact CG-CE2 3.38Å; P465-F531 HydrophobicContact CG-CZ 4.09Å |
| 466 | L | 91.2 | Very high | 82.1 | Confident | 15 Ų | 15 | 26.5 Ų | 26.5 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -127.8 | 161.2 | 176 | -64.3 | 173.6 | 0 | 0 | 0 | 108.8 | G424 V425 V464 W468 Y491 M494 L527 R530 F531 | G424-L466 CarbonylContact C-O 3.52Å; G424-L466 WeakPolarHBondContact CA-O 3.49Å; V425-L466 PolarHBondContact N-O 2.91Å; V425-L466 VanDerWaalsContact N-O 3.09Å; V464-L466 HydrophobicContact CG1-CB 4.43Å; V464-L466 HydrophobicContact CG1-CD1 3.85Å; V464-L466 HydrophobicContact CG1-CG 3.97Å; V464-L466 PolarHBondContact O-N 3.42Å; L466-W468 VanDerWaalsContact O-CD1 3.24Å; L466-W468 PolarHBondContact O-N 3.18Å; L466-W468 VanDerWaalsContact O-N 3.09Å; L466-Y491 HydrophobicContact CD2-CD1 3.93Å; L466-Y491 HydrophobicContact CD2-CE1 3.78Å; L466-M494 HydrophobicContact CD2-SD 3.93Å; L466-L527 HydrophobicContact CB-CD1 4.48Å; L466-L527 HydrophobicContact CD1-CD1 3.78Å; L466-R530 HydrophobicContact CD1-CB 3.77Å; L466-F531 HydrophobicContact CD1-CB 4.18Å |
| 467 | F | 83.9 | Confident | 80.2 | Confident | 27 Ų | 27 | 33 Ų | 33 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -80.3 | 87.8 | 173 | -65.1 | -71.7 | 0 | 0 | 0 | 110.6 | V425 L427 L485 R486 D488 S493 | V425-F467 HydrophobicContact CG1-CD1 4.25Å; V425-F467 HydrophobicContact CG1-CE1 4.04Å; V425-F467 HydrophobicContact CG1-CE2 4.41Å; V425-F467 HydrophobicContact CG1-CZ 4.13Å; V425-F467 WeakPolarHBondContact O-CD1 3.48Å; V425-F467 VanDerWaalsContact O-CE1 3.3Å; V425-F467 WeakPolarHBondContact O-CE1 3.29Å; L427-F467 HydrophobicContact CD2-CE1 4.15Å; L427-F467 HydrophobicContact CD2-CZ 3.89Å; F467-L485 PolarHBondContact O-N 2.94Å; F467-R486 HydrophobicContact CB-CB 4Å; F467-R486 HydrophobicContact CD2-CB 4.32Å; F467-R486 HydrophobicContact CG-CB 4.26Å; F467-D488 HydrophobicContact CD2-CB 4.08Å; F467-D488 HydrophobicContact CE2-CB 4.08Å; F467-S493 WeakPolarHBondContact CZ-OG 3.47Å |
| 468 | W | 87.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145.9 | -178.1 | 74 | -79.7 | 0 | 0 | 0 | 112.2 | R423 V464 L466 L482 E483 I484 L527 V638 | R423-W468 CarbonylContact C-O 3.58Å; R423-W468 HydrophobicContact CB-CD2 4.44Å; R423-W468 HydrophobicContact CB-CZ2 4.28Å; R423-W468 WeakPolarHBondContact CB-O 3.2Å; R423-W468 HydrophobicContact CG-CH2 4.49Å; V464-W468 PolarHBondContact O-NE1 2.99Å; L466-W468 VanDerWaalsContact O-CD1 3.24Å; L466-W468 PolarHBondContact O-N 3.18Å; L466-W468 VanDerWaalsContact O-N 3.09Å; W468-L482 HydrophobicContact CE3-CD1 3.67Å; W468-L482 HydrophobicContact CE3-CG 3.87Å; W468-L482 HydrophobicContact CZ3-CD1 3.83Å; W468-L482 HydrophobicContact CZ3-CG 4.34Å; W468-E483 CarbonylContact C-O 3.17Å; W468-E483 VanDerWaalsContact CA-O 3.29Å; W468-E483 WeakPolarHBondContact CA-O 3.17Å; W468-I484 HydrophobicContact CB-CD1 3.81Å; W468-L527 HydrophobicContact CB-CD1 4.22Å; W468-L527 HydrophobicContact CD2-CD1 4.08Å; W468-L527 HydrophobicContact CD2-CD2 3.93Å; W468-L527 HydrophobicContact CE3-CD2 4.19Å; W468-L527 HydrophobicContact CG-CD1 3.8Å; W468-L527 HydrophobicContact CG-CD2 4.49Å; W468-L527 HydrophobicContact CH2-CD2 4.02Å; W468-L527 HydrophobicContact CZ2-CD2 3.8Å; W468-L527 HydrophobicContact CZ3-CD2 4.21Å; W468-V638 HydrophobicContact CH2-CG2 3.66Å; W468-V638 VanDerWaalsContact CH2-O 3.23Å; W468-V638 WeakPolarHBondContact CH2-O 3.4Å; W468-V638 HydrophobicContact CZ3-CG2 4.05Å |
| 469 | S | 82.9 | Confident | 76.7 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 16% | 0.161 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 173.3 | -179.6 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | E483 L485 | S469-E483 PolarHBondContact N-O 3.42Å; S469-E483 PolarHBondContact O-N 2.78Å; S469-L485 WeakPolarHBondContact OG-CD2 3.38Å |
| 470 | Q | 77.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -144.5 | 85.7 | 175.1 | -156.5 | -167 | -26.5 | 0 | 0 | 108.1 | F420 S472 P480 P481 F523 | F420-Q470 HydrophobicContact CD1-CB 4.14Å; Q470-S472 PolarHBondContact O-N 3.4Å; Q470-P480 HydrophobicContact CG-CB 3.91Å; Q470-P480 HydrophobicContact CG-CG 3.8Å; Q470-P480 VanDerWaalsContact CG-O 3.23Å; Q470-P480 WeakPolarHBondContact CG-O 3.33Å; Q470-P480 VanDerWaalsContact NE2-CG 3.32Å; Q470-P480 PolarHBondContact NE2-O 3.4Å; Q470-P481 VanDerWaalsContact CG-O 3.25Å; Q470-P481 WeakPolarHBondContact CG-O 3.26Å; Q470-F523 HydrophobicContact CG-CZ 4.42Å | ||
| 471 | E | 67 | Low | 73.9 | Confident | 64 Ų | 64 | 42.3 Ų | 42.3 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | trans | -68.8 | 125.3 | -170.3 | -176.5 | 48.9 | -112.6 | 0 | 0 | 111.7 | S473 P480 | E471-S473 VanDerWaalsContact CG-OG 3.3Å; E471-S473 WeakPolarHBondContact CG-OG 3.44Å; E471-S473 WeakPolarHBondContact OE1-CB 3.31Å; E471-S473 PolarHBondContact OE1-N 3.4Å; E471-S473 VanDerWaalsContact OE1-N 3.08Å; E471-S473 PolarHBondContact OE1-OG 2.8Å; E471-P480 WeakPolarHBondContact O-CB 3.28Å | ||
| 472 | S | 64.7 | Low | 73.1 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | trans | -95 | -5 | -172.5 | 73.5 | 0 | 0 | 0 | 0 | 114 | Q470 K474 K732 | Q470-S472 PolarHBondContact O-N 3.4Å; S472-K474 PolarHBondContact O-N 3.21Å; S472-K732 PolarHBondContact O-NZ 2.71Å | ||
| 473 | S | 57.7 | Low | 72.3 | Confident | 74 Ų | 74 | 47 Ų | 47 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | trans | -64.4 | -33 | -174.1 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | E471 V475 | E471-S473 VanDerWaalsContact CG-OG 3.3Å; E471-S473 WeakPolarHBondContact CG-OG 3.44Å; E471-S473 WeakPolarHBondContact OE1-CB 3.31Å; E471-S473 PolarHBondContact OE1-N 3.4Å; E471-S473 VanDerWaalsContact OE1-N 3.08Å; E471-S473 PolarHBondContact OE1-OG 2.8Å; S473-V475 PolarHBondContact O-N 3.47Å | ||
| 474 | K | 53 | Low | 71.6 | Confident | 93 Ų | 93 | 49.1 Ų | 49.1 | 40% | 0.404 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -65 | 125.6 | 178.3 | -64.8 | 176.5 | -179.4 | 162.7 | 0 | 108.3 | S472 V476 E483 | S472-K474 PolarHBondContact O-N 3.21Å; K474-V476 HydrophobicContact CB-CG2 3.94Å; K474-V476 PolarHBondContact O-N 2.71Å; K474-E483 IonicContact NZ-OE1 3.59Å |
| 475 | V | 50.4 | Low | 70.3 | Confident | 134 Ų | 134 | 54.8 Ų | 54.8 | 81% | 0.812 | 31% | 0.31 | S | S | * | . | trans | -65.7 | 51.9 | 173.4 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | S473 | S473-V475 PolarHBondContact O-N 3.47Š| ||
| 476 | V | 48.9 | Very low | 68.9 | Low | 82 Ų | 82 | 60.9 Ų | 60.9 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | trans | -97.5 | 115.4 | 173.8 | 179.5 | 0 | 0 | 0 | 0 | 105 | K474 G478 | K474-V476 HydrophobicContact CB-CG2 3.94Å; K474-V476 PolarHBondContact O-N 2.71Å; V476-G478 PolarHBondContact O-N 3.07Å | ||
| 477 | V | 54.4 | Low | 67.8 | Low | 137 Ų | 137 | 65.3 Ų | 65.3 | 83% | 0.83 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -64.2 | 86.8 | 164.2 | -178.2 | 0 | 0 | 0 | 0 | 106.4 | ||
| 478 | G | 57.4 | Low | 67.2 | Low | 48 Ų | 48 | 65.2 Ų | 65.2 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 166.5 | 174 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V476 P480 | V476-G478 PolarHBondContact O-N 3.07Å; G478-P480 WeakPolarHBondContact O-CD 3.5Å |
| 479 | R | 63.9 | Low | 66.6 | Low | 100 Ų | 100 | 69.4 Ų | 69.4 | 38% | 0.377 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 119.5 | 174.3 | -175.2 | 174.4 | -163.7 | 179.2 | 11.6 | 108.1 | F523 E524 D639 | R479-F523 HydrophobicContact CG-CZ 4.39Å; R479-E524 IonicContact NH1-OE1 2.7Å; R479-E524 PolarHBondContact NH1-OE1 3.4Å; R479-E524 VanDerWaalsContact NH1-OE1 3.14Å; R479-D639 IonicContact NH2-OD1 2.74Å; R479-D639 IonicContact NH2-OD2 3.75Å; R479-D639 PolarHBondContact NH2-OD2 3.06Å |
| 480 | P | 65.6 | Low | 66.5 | Low | 18 Ų | 18 | 73 Ų | 73 | 12% | 0.117 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 151.3 | -177.4 | 12.4 | -20.6 | 0 | 0 | 0 | 112 | F420 Q470 E471 G478 | F420-P480 HydrophobicContact CD1-CG 4.5Å; F420-P480 HydrophobicContact CE1-CG 4.28Å; F420-P480 HydrophobicContact CZ-CG 4.45Å; Q470-P480 HydrophobicContact CG-CB 3.91Å; Q470-P480 HydrophobicContact CG-CG 3.8Å; Q470-P480 VanDerWaalsContact CG-O 3.23Å; Q470-P480 WeakPolarHBondContact CG-O 3.33Å; Q470-P480 VanDerWaalsContact NE2-CG 3.32Å; Q470-P480 PolarHBondContact NE2-O 3.4Å; E471-P480 WeakPolarHBondContact O-CB 3.28Å; G478-P480 WeakPolarHBondContact O-CD 3.5Å |
| 481 | P | 70.5 | Confident | 67 | Low | 40 Ų | 40 | 74.7 Ų | 74.7 | 26% | 0.26 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 151.9 | 179.9 | 28.8 | -33.7 | 0 | 0 | 0 | 110.9 | Q470 | Q470-P481 VanDerWaalsContact CG-O 3.25Å; Q470-P481 WeakPolarHBondContact CG-O 3.26Å |
| 482 | L | 80.4 | Confident | 67.6 | Low | 31 Ų | 31 | 73.6 Ų | 73.6 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 128.8 | 174.6 | 176.6 | 154.6 | 0 | 0 | 0 | 106.8 | W468 I484 F523 L527 | W468-L482 HydrophobicContact CE3-CD1 3.67Å; W468-L482 HydrophobicContact CE3-CG 3.87Å; W468-L482 HydrophobicContact CZ3-CD1 3.83Å; W468-L482 HydrophobicContact CZ3-CG 4.34Å; L482-I484 HydrophobicContact CD2-CD1 3.83Å; L482-I484 HydrophobicContact CD2-CG1 4.16Å; L482-F523 HydrophobicContact CB-CD2 3.69Å; L482-F523 HydrophobicContact CB-CE1 4.5Å; L482-F523 HydrophobicContact CB-CE2 3.32Å; L482-F523 HydrophobicContact CB-CG 4.47Å; L482-F523 HydrophobicContact CB-CZ 3.75Å; L482-L527 HydrophobicContact CD1-CB 4.03Å; L482-L527 HydrophobicContact CD1-CD2 3.98Å; L482-L527 HydrophobicContact CD1-CG 4.41Å |
| 483 | E | 78.1 | Confident | 68.4 | Low | 70 Ų | 70 | 72.5 Ų | 72.5 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.9 | 179.1 | -66.2 | 177.1 | -177.9 | 0 | 0 | 107.5 | W468 S469 K474 | W468-E483 CarbonylContact C-O 3.17Å; W468-E483 VanDerWaalsContact CA-O 3.29Å; W468-E483 WeakPolarHBondContact CA-O 3.17Å; S469-E483 PolarHBondContact N-O 3.42Å; S469-E483 PolarHBondContact O-N 2.78Å; K474-E483 IonicContact NZ-OE1 3.59Å |
| 484 | I | 78.7 | Confident | 70 | Confident | 45 Ų | 45 | 69 Ų | 69 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 113.7 | 166.4 | -55.9 | -64 | 0 | 0 | 0 | 105.4 | W468 L482 L527 | W468-I484 HydrophobicContact CB-CD1 3.81Å; L482-I484 HydrophobicContact CD2-CD1 3.83Å; L482-I484 HydrophobicContact CD2-CG1 4.16Å; I484-L527 HydrophobicContact CD1-CD1 4.2Å |
| 485 | L | 68.2 | Low | 71.9 | Confident | 119 Ų | 119 | 64.6 Ų | 64.6 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | trans | -73.7 | -36.3 | -173.3 | -68.8 | 176.5 | 0 | 0 | 0 | 112 | F467 S469 | F467-L485 PolarHBondContact O-N 2.94Å; S469-L485 WeakPolarHBondContact OG-CD2 3.38Å | ||
| 486 | R | 65.5 | Low | 73.7 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | trans | -146.9 | 131.8 | -175.3 | 179.4 | 177.4 | 174.6 | -179.6 | -0.4 | 109.6 | F467 | F467-R486 HydrophobicContact CB-CB 4Å; F467-R486 HydrophobicContact CD2-CB 4.32Å; F467-R486 HydrophobicContact CG-CB 4.26Å | ||
| 487 | D | 67.5 | Low | 75.8 | Confident | 109 Ų | 109 | 57.3 Ų | 57.3 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | trans | -78.8 | 118.4 | 164.7 | -73.8 | -32 | 0 | 0 | 0 | 108.3 | P489 R530 | D487-P489 VanDerWaalsContact O-CD 3.26Å; D487-P489 WeakPolarHBondContact O-CD 3.22Å; D487-R530 IonicContact OD1-CZ 3.78Å; D487-R530 IonicContact OD1-NH1 3.72Å; D487-R530 PolarHBondContact OD1-NH1 3.03Å; D487-R530 IonicContact OD1-NH2 3.05Å | ||
| 488 | D | 72.3 | Confident | 77.7 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | trans | -102.4 | 91 | 173 | -179.7 | 0.7 | 0 | 0 | 0 | 107.1 | F467 F490 Y491 E492 S493 | F467-D488 HydrophobicContact CD2-CB 4.08Å; F467-D488 HydrophobicContact CE2-CB 4.08Å; D488-F490 PolarHBondContact O-N 3.5Å; D488-F490 PolarHBondContact OD1-N 2.99Å; D488-Y491 VanDerWaalsContact CG-CA 3.49Å; D488-Y491 PolarHBondContact O-N 3.22Å; D488-Y491 PolarHBondContact OD1-N 3.15Å; D488-Y491 VanDerWaalsContact OD2-C 3.27Å; D488-Y491 VanDerWaalsContact OD2-CA 3.31Å; D488-Y491 WeakPolarHBondContact OD2-CA 3.41Å; D488-E492 PolarHBondContact OD1-N 3.06Å; D488-E492 PolarHBondContact OD2-N 2.88Å; D488-S493 PolarHBondContact OD2-N 3.49Å | ||
| 489 | P | 74.1 | Confident | 79.4 | Confident | 89 Ų | 89 | 49.1 Ų | 49.1 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -25 | -171.9 | 24.5 | -33.9 | 0 | 0 | 0 | 112.9 | D487 | D487-P489 VanDerWaalsContact O-CD 3.26Å; D487-P489 WeakPolarHBondContact O-CD 3.22Å |
| 490 | F | 81.4 | Confident | 80.7 | Confident | 99 Ų | 99 | 45.4 Ų | 45.4 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 0.9 | -178.4 | -54.7 | -64.3 | 0 | 0 | 0 | 113.3 | D488 E492 Y537 L835 | D488-F490 PolarHBondContact O-N 3.5Å; D488-F490 PolarHBondContact OD1-N 2.99Å; F490-E492 PolarHBondContact O-N 3.22Å; F490-Y537 WeakPolarHBondContact O-CE1 3.42Å; F490-L835 HydrophobicContact CB-CD1 4.49Å; F490-L835 HydrophobicContact CB-CD2 4.25Å; F490-L835 HydrophobicContact CD1-CD1 4.44Å; F490-L835 HydrophobicContact CD2-CD1 3.53Å; F490-L835 HydrophobicContact CD2-CD2 4.38Å; F490-L835 HydrophobicContact CE2-CD1 3.72Å; F490-L835 HydrophobicContact CG-CD1 3.91Å; F490-L835 HydrophobicContact CZ-CD1 4.26Å |
| 491 | Y | 87.1 | Confident | 82 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 14% | 0.137 | 23% | 0.227 | C | C | . | . | trans | 52.3 | 38.7 | 179.9 | -63.6 | -85.6 | 0 | 0 | 0 | 112.9 | L466 D488 M494 G495 R530 G534 Y537 | L466-Y491 HydrophobicContact CD2-CD1 3.93Å; L466-Y491 HydrophobicContact CD2-CE1 3.78Å; D488-Y491 VanDerWaalsContact CG-CA 3.49Å; D488-Y491 PolarHBondContact O-N 3.22Å; D488-Y491 PolarHBondContact OD1-N 3.15Å; D488-Y491 VanDerWaalsContact OD2-C 3.27Å; D488-Y491 VanDerWaalsContact OD2-CA 3.31Å; D488-Y491 WeakPolarHBondContact OD2-CA 3.41Å; Y491-M494 HydrophobicContact CD1-SD 3.67Å; Y491-M494 HydrophobicContact CE1-SD 4.34Å; Y491-M494 HydrophobicContact CG-SD 4.42Å; Y491-M494 CarbonylContact O-C 3.5Å; Y491-M494 WeakPolarHBondContact O-CB 3.5Å; Y491-M494 PolarHBondContact O-N 3.25Å; Y491-G495 PolarHBondContact O-N 3.49Å; Y491-R530 PolarHBondContact OH-O 3.43Å; Y491-G534 VanDerWaalsContact CZ-CA 3.42Å; Y491-Y537 AromaticContact CD2-CD1 3.78Å; Y491-Y537 HydrophobicContact CD2-CD1 3.78Å; Y491-Y537 HydrophobicContact CD2-CG 4.09Å | ||
| 492 | E | 81 | Confident | 83.1 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -52.9 | -172.3 | -176.2 | -174.5 | -164 | 0 | 0 | 112 | D488 F490 M494 G495 L496 R832 L835 | D488-E492 PolarHBondContact OD1-N 3.06Å; D488-E492 PolarHBondContact OD2-N 2.88Å; F490-E492 PolarHBondContact O-N 3.22Å; E492-M494 VanDerWaalsContact C-N 3.26Å; E492-M494 PolarHBondContact O-N 2.66Å; E492-G495 WeakPolarHBondContact O-CA 3.29Å; E492-G495 PolarHBondContact O-N 2.9Å; E492-G495 VanDerWaalsContact O-N 3.08Å; E492-L496 PolarHBondContact O-N 2.88Å; E492-R832 IonicContact OE1-CZ 3.8Å; E492-R832 IonicContact OE1-NE 3.36Å; E492-R832 IonicContact OE1-NH1 2.94Å; E492-R832 PolarHBondContact OE1-NH1 3.03Å; E492-R832 IonicContact OE2-CZ 3.17Å; E492-R832 IonicContact OE2-NH1 3.43Å; E492-R832 PolarHBondContact OE2-NH1 2.87Å; E492-L835 HydrophobicContact CB-CD2 4.42Å; E492-L835 HydrophobicContact CG-CD2 4.29Å |
| 493 | S | 80.7 | Confident | 83.6 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.4 | -29.9 | -179.4 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | N426 L427 G429 F467 D488 H497 | N426-S493 WeakPolarHBondContact O-CB 3.31Å; N426-S493 PolarHBondContact O-OG 2.99Å; L427-S493 WeakPolarHBondContact CA-OG 3.2Å; L427-S493 PolarHBondContact O-OG 3.33Å; L427-S493 VanDerWaalsContact O-OG 3.06Å; G429-S493 VanDerWaalsContact CA-O 3.29Å; G429-S493 WeakPolarHBondContact CA-O 3.43Å; F467-S493 WeakPolarHBondContact CZ-OG 3.47Å; D488-S493 PolarHBondContact OD2-N 3.49Å; S493-H497 WeakPolarHBondContact O-CB 3.44Å; S493-H497 PolarHBondContact O-N 3.24Å; S493-H497 VanDerWaalsContact O-N 3.07Å |
| 494 | M | 91.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 171.3 | -177.9 | 169.3 | 161.3 | 0 | 0 | 111.5 | P465 L466 Y491 E492 H497 F498 F531 G534 I535 L538 | P465-M494 HydrophobicContact CB-CB 4.42Å; P465-M494 HydrophobicContact CB-CG 4.11Å; P465-M494 HydrophobicContact CG-CG 3.83Å; P465-M494 HydrophobicContact CG-SD 4.21Å; P465-M494 WeakPolarHBondContact O-CB 3.26Å; L466-M494 HydrophobicContact CD2-SD 3.93Å; Y491-M494 HydrophobicContact CD1-SD 3.67Å; Y491-M494 HydrophobicContact CE1-SD 4.34Å; Y491-M494 HydrophobicContact CG-SD 4.42Å; Y491-M494 CarbonylContact O-C 3.5Å; Y491-M494 WeakPolarHBondContact O-CB 3.5Å; Y491-M494 PolarHBondContact O-N 3.25Å; E492-M494 VanDerWaalsContact C-N 3.26Å; E492-M494 PolarHBondContact O-N 2.66Å; M494-H497 WeakPolarHBondContact O-CB 3.38Å; M494-H497 PolarHBondContact O-N 2.85Å; M494-F498 HydrophobicContact CE-CE2 3.69Å; M494-F498 HydrophobicContact CG-CD2 4.05Å; M494-F498 HydrophobicContact CG-CE2 3.8Å; M494-F498 WeakPolarHBondContact O-CD2 3.48Å; M494-F498 PolarHBondContact O-N 2.76Å; M494-F498 VanDerWaalsContact O-N 3.11Å; M494-F531 HydrophobicContact CE-CD2 3.45Å; M494-F531 VanDerWaalsContact CE-CD2 3.45Å; M494-F531 HydrophobicContact CE-CE2 3.61Å; M494-F531 HydrophobicContact SD-CD2 4.13Å; M494-F531 HydrophobicContact SD-CE2 4.44Å; M494-G534 VanDerWaalsContact CE-C 3.42Å; M494-I535 HydrophobicContact CE-CB 4.39Å; M494-I535 HydrophobicContact CE-CG1 3.51Å; M494-I535 VanDerWaalsContact CE-N 3.33Å; M494-L538 HydrophobicContact CB-CD1 4.3Å; M494-L538 HydrophobicContact CE-CD1 4.3Å; M494-L538 HydrophobicContact CG-CD1 3.82Å |
| 495 | G | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -52.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y491 E492 H497 F498 A499 W838 | Y491-G495 PolarHBondContact O-N 3.49Å; E492-G495 WeakPolarHBondContact O-CA 3.29Å; E492-G495 PolarHBondContact O-N 2.9Å; E492-G495 VanDerWaalsContact O-N 3.08Å; G495-H497 PolarHBondContact O-N 3.48Å; G495-F498 PolarHBondContact O-N 3.13Å; G495-A499 PolarHBondContact O-N 3.13Å; G495-W838 VanDerWaalsContact CA-CE3 3.47Å; G495-W838 WeakPolarHBondContact O-CZ3 3.4Å |
| 496 | L | 87.6 | Confident | 85.7 | Confident | 62 Ų | 62 | 33.6 Ų | 33.6 | 33% | 0.325 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -55.4 | -40 | 176.9 | -68.5 | 178 | 0 | 0 | 0 | 112.5 | E492 A499 S500 | E492-L496 PolarHBondContact O-N 2.88Å; L496-A499 PolarHBondContact O-N 2.73Å; L496-S500 WeakPolarHBondContact O-CB 3.5Å; L496-S500 PolarHBondContact O-N 3.43Å |
| 497 | H | 93 | Very high | 86.8 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -50.8 | 174.1 | 173.6 | 61.6 | 0 | 0 | 0 | 111.8 | G429 P465 S493 M494 G495 S500 L501 R634 | G429-H497 WeakPolarHBondContact O-CA 3.24Å; G429-H497 VanDerWaalsContact O-CB 3.24Å; G429-H497 WeakPolarHBondContact O-CB 3.45Å; G429-H497 PolarHBondContact O-ND1 2.88Å; P465-H497 HydrophobicContact CB-CB 4.39Å; S493-H497 WeakPolarHBondContact O-CB 3.44Å; S493-H497 PolarHBondContact O-N 3.24Å; S493-H497 VanDerWaalsContact O-N 3.07Å; M494-H497 WeakPolarHBondContact O-CB 3.38Å; M494-H497 PolarHBondContact O-N 2.85Å; G495-H497 PolarHBondContact O-N 3.48Å; H497-S500 PolarHBondContact O-N 2.79Å; H497-L501 WeakPolarHBondContact NE2-CD1 3.23Å; H497-L501 WeakPolarHBondContact O-CG 3.45Å; H497-L501 PolarHBondContact O-N 3.29Å; H497-R634 VanDerWaalsContact CE1-CZ 3.5Å; H497-R634 PolarHBondContact CE1-NH1 2.87Å; H497-R634 PolarHBondContact NE2-NE 3.44Å; H497-R634 PolarHBondContact NE2-NH1 3.48Å; H497-R634 PolarHBondContact NE2-NH2 2.77Å |
| 498 | F | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.5 | -36.2 | 178.3 | -77 | -68.5 | 0 | 0 | 0 | 113.5 | P465 M494 G495 S500 L501 L502 V509 V511 F531 I535 L538 I567 W838 | P465-F498 HydrophobicContact CG-CE2 4.45Å; M494-F498 HydrophobicContact CE-CE2 3.69Å; M494-F498 HydrophobicContact CG-CD2 4.05Å; M494-F498 HydrophobicContact CG-CE2 3.8Å; M494-F498 WeakPolarHBondContact O-CD2 3.48Å; M494-F498 PolarHBondContact O-N 2.76Å; M494-F498 VanDerWaalsContact O-N 3.11Å; G495-F498 PolarHBondContact O-N 3.13Å; F498-S500 VanDerWaalsContact C-N 3.26Å; F498-S500 PolarHBondContact O-N 2.93Å; F498-L501 HydrophobicContact CD1-CD1 3.9Å; F498-L501 HydrophobicContact CE1-CD1 4.22Å; F498-L501 WeakPolarHBondContact O-CA 3.3Å; F498-L501 WeakPolarHBondContact O-CB 3.35Å; F498-L501 PolarHBondContact O-N 2.92Å; F498-L502 WeakPolarHBondContact O-CG 3.34Å; F498-L502 PolarHBondContact O-N 3.45Å; F498-V509 HydrophobicContact CD1-CG1 4.02Å; F498-V509 HydrophobicContact CE1-CG1 4.02Å; F498-V511 HydrophobicContact CE1-CG2 3.69Å; F498-V511 HydrophobicContact CZ-CG2 3.86Å; F498-F531 HydrophobicContact CE2-CE2 4.33Å; F498-F531 HydrophobicContact CZ-CE2 4.09Å; F498-F531 HydrophobicContact CZ-CZ 4.35Å; F498-I535 HydrophobicContact CE2-CG1 4.23Å; F498-I535 HydrophobicContact CZ-CD1 4.32Å; F498-I535 HydrophobicContact CZ-CG1 4.11Å; F498-L538 HydrophobicContact CD2-CD1 3.94Å; F498-L538 HydrophobicContact CE2-CD1 4.44Å; F498-I567 HydrophobicContact CB-CD1 3.79Å; F498-I567 HydrophobicContact CD1-CD1 3.77Å; F498-I567 HydrophobicContact CD1-CG1 4.32Å; F498-I567 HydrophobicContact CD1-CG2 4.36Å; F498-I567 HydrophobicContact CD2-CD1 4.27Å; F498-I567 HydrophobicContact CE1-CD1 4.43Å; F498-I567 HydrophobicContact CE1-CG2 4.06Å; F498-I567 HydrophobicContact CG-CD1 3.69Å; F498-I567 HydrophobicContact CZ-CG2 4.5Å; F498-W838 HydrophobicContact CB-CH2 4.12Å; F498-W838 HydrophobicContact CB-CZ3 3.86Å |
| 499 | A | 92.2 | Very high | 89.1 | Confident | 14 Ų | 14 | 21.4 Ų | 21.4 | 12% | 0.116 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G495 L496 L501 K503 W838 C839 | G495-A499 PolarHBondContact O-N 3.13Å; L496-A499 PolarHBondContact O-N 2.73Å; A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 PolarHBondContact O-N 3.29Å; A499-K503 VanDerWaalsContact O-CB 3.25Å; A499-K503 WeakPolarHBondContact O-CB 3.25Å; A499-K503 PolarHBondContact O-N 3.34Å; A499-W838 HydrophobicContact CB-CE3 3.89Å; A499-W838 HydrophobicContact CB-CZ3 3.93Å; A499-W838 WeakPolarHBondContact CB-O 3.16Å; A499-C839 HydrophobicContact CB-CB 4.49Å |
| 500 | S | 91.1 | Very high | 90.2 | Very high | 21 Ų | 21 | 17.1 Ų | 17.1 | 15% | 0.147 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.6 | -25 | 173 | -171.8 | 0 | 0 | 0 | 0 | 113.2 | L496 H497 F498 R504 K856 | L496-S500 WeakPolarHBondContact O-CB 3.5Å; L496-S500 PolarHBondContact O-N 3.43Å; H497-S500 PolarHBondContact O-N 2.79Å; F498-S500 VanDerWaalsContact C-N 3.26Å; F498-S500 PolarHBondContact O-N 2.93Å; S500-R504 WeakPolarHBondContact O-CG 2.99Å; S500-R504 PolarHBondContact O-N 3.03Å; S500-R504 PolarHBondContact O-NE 3.22Å; S500-K856 PolarHBondContact OG-NZ 2.96Å |
| 501 | L | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -75.6 | -49 | 174.5 | -70.7 | 175.3 | 0 | 0 | 0 | 111.5 | M460 H497 F498 A499 K503 R504 H505 V509 | M460-L501 HydrophobicContact CE-CD2 3.1Å; M460-L501 HydrophobicContact CG-CD2 4.47Å; M460-L501 HydrophobicContact SD-CD2 3.74Å; H497-L501 WeakPolarHBondContact NE2-CD1 3.23Å; H497-L501 WeakPolarHBondContact O-CG 3.45Å; H497-L501 PolarHBondContact O-N 3.29Å; F498-L501 HydrophobicContact CD1-CD1 3.9Å; F498-L501 HydrophobicContact CE1-CD1 4.22Å; F498-L501 WeakPolarHBondContact O-CA 3.3Å; F498-L501 WeakPolarHBondContact O-CB 3.35Å; F498-L501 PolarHBondContact O-N 2.92Å; A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 PolarHBondContact O-N 3.29Å; L501-K503 VanDerWaalsContact C-N 3.28Å; L501-K503 PolarHBondContact O-N 3.48Å; L501-R504 VanDerWaalsContact CD2-NH2 3.27Å; L501-R504 PolarHBondContact O-N 2.68Å; L501-H505 PolarHBondContact O-N 3.37Å; L501-V509 HydrophobicContact CB-CG1 4.37Å; L501-V509 HydrophobicContact CB-CG2 3.91Å; L501-V509 HydrophobicContact CD1-CG1 3.85Å |
| 502 | L | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 176.6 | -70.6 | 166.4 | 0 | 0 | 0 | 111 | F498 R504 G506 V509 P566 W838 L843 L847 | F498-L502 WeakPolarHBondContact O-CG 3.34Å; F498-L502 PolarHBondContact O-N 3.45Å; L502-R504 VanDerWaalsContact C-N 3.34Å; L502-R504 PolarHBondContact O-N 2.8Å; L502-G506 VanDerWaalsContact O-CA 3.25Å; L502-G506 WeakPolarHBondContact O-CA 3.5Å; L502-G506 PolarHBondContact O-N 3.23Å; L502-V509 HydrophobicContact CD2-CG2 3.76Å; L502-V509 HydrophobicContact CG-CG2 4.03Å; L502-P566 HydrophobicContact CD2-CB 4.13Å; L502-W838 HydrophobicContact CD1-CH2 4.47Å; L502-L843 HydrophobicContact CB-CD2 4.12Å; L502-L847 HydrophobicContact CD2-CD1 4.36Å; L502-L847 HydrophobicContact CD2-CD2 4.3Å |
| 503 | K | 89.5 | Confident | 92.2 | Very high | 27 Ų | 27 | 8.8 Ų | 8.8 | 12% | 0.117 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 176.6 | -173.4 | 171.9 | 178.9 | 170.8 | 0 | 112.8 | A499 L501 L843 G850 M851 D852 Q855 | A499-K503 VanDerWaalsContact O-CB 3.25Å; A499-K503 WeakPolarHBondContact O-CB 3.25Å; A499-K503 PolarHBondContact O-N 3.34Å; L501-K503 VanDerWaalsContact C-N 3.28Å; L501-K503 PolarHBondContact O-N 3.48Å; K503-L843 HydrophobicContact CB-CD1 4.15Å; K503-L843 HydrophobicContact CB-CD2 3.94Å; K503-L843 HydrophobicContact CG-CD1 4.49Å; K503-G850 CarbonylContact O-C 3.58Å; K503-G850 VanDerWaalsContact O-CA 3.31Å; K503-G850 WeakPolarHBondContact O-CA 3.38Å; K503-M851 HydrophobicContact CG-CB 4.19Å; K503-M851 PolarHBondContact O-N 2.88Å; K503-D852 PolarHBondContact O-N 2.94Å; K503-D852 VanDerWaalsContact O-N 3.12Å; K503-Q855 PolarHBondContact NZ-O 3.11Å |
| 504 | R | 88.5 | Confident | 93 | Very high | 20 Ų | 20 | 8.7 Ų | 8.7 | 8% | 0.075 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -83.7 | -41.7 | -173.4 | -65.6 | -177.1 | -68.5 | 142.8 | -20.5 | 113.8 | Y353 E434 E436 S500 L501 L502 D852 | Y353-R504 PolarHBondContact OH-NH1 2.94Å; E434-R504 IonicContact OE1-CZ 2.86Å; E434-R504 IonicContact OE1-NH1 3.81Å; E434-R504 IonicContact OE1-NH2 3.47Å; E434-R504 PolarHBondContact OE1-NH2 3.44Å; E436-R504 IonicContact OE2-NH1 3.86Å; S500-R504 WeakPolarHBondContact O-CG 2.99Å; S500-R504 PolarHBondContact O-N 3.03Å; S500-R504 PolarHBondContact O-NE 3.22Å; L501-R504 VanDerWaalsContact CD2-NH2 3.27Å; L501-R504 PolarHBondContact O-N 2.68Å; L502-R504 VanDerWaalsContact C-N 3.34Å; L502-R504 PolarHBondContact O-N 2.8Å; R504-D852 VanDerWaalsContact CG-OD2 3.23Å; R504-D852 WeakPolarHBondContact CG-OD2 3.44Å |
| 505 | H | 90.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 8.7 Ų | 8.7 | 13% | 0.13 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -116.3 | -9.2 | -168.5 | -55.9 | -74.8 | 0 | 0 | 0 | 113.7 | E436 M460 L501 C630 G631 I632 | E436-H505 IonicContact OE2-CE1 3.27Å; E436-H505 PolarHBondContact OE2-CE1 2.78Å; E436-H505 IonicContact OE2-NE2 3.81Å; M460-H505 WeakPolarHBondContact CE-CD2 3.42Å; M460-H505 VanDerWaalsContact CE-NE2 3.27Å; M460-H505 WeakPolarHBondContact CE-NE2 3.41Å; L501-H505 PolarHBondContact O-N 3.37Å; H505-C630 CarbonylContact O-C 3.56Å; H505-G631 PolarHBondContact O-N 3.4Å; H505-I632 HydrophobicContact CB-CB 3.81Å; H505-I632 HydrophobicContact CB-CD1 4.33Å; H505-I632 HydrophobicContact CB-CG2 3.74Å |
| 506 | G | 89.6 | Confident | 93 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | 79.7 | -156.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L502 C630 P848 | L502-G506 VanDerWaalsContact O-CA 3.25Å; L502-G506 WeakPolarHBondContact O-CA 3.5Å; L502-G506 PolarHBondContact O-N 3.23Å; G506-C630 CarbonylContact C-O 3.58Å; G506-C630 VanDerWaalsContact CA-O 3.3Å; G506-C630 WeakPolarHBondContact CA-O 3.39Å; G506-P848 WeakPolarHBondContact CA-O 3.34Å | ||
| 507 | S | 89.6 | Confident | 92.9 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -125.3 | 141.6 | -177.1 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | I546 P566 C630 P848 | S507-I546 WeakPolarHBondContact OG-CD1 3.42Å; S507-I546 WeakPolarHBondContact OG-CG1 3.34Å; S507-P566 VanDerWaalsContact OG-CA 3.29Å; S507-P566 WeakPolarHBondContact OG-CA 3.37Å; S507-C630 CarbonylContact C-O 3.53Å; S507-C630 WeakPolarHBondContact CA-O 3.37Å; S507-C630 PolarHBondContact N-O 2.89Å; S507-C630 CarbonylContact O-C 3.53Å; S507-P848 PolarHBondContact N-O 2.96Å |
| 508 | P | 92.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.026 | 9% | 0.089 | C | C | . | . | cis | -87.5 | 149.7 | 8.7 | 32.1 | -34.8 | 0 | 0 | 0 | 114 | I510 M568 R599 G631 I632 | P508-I510 HydrophobicContact CB-CG1 4.21Å; P508-I510 HydrophobicContact CG-CD1 4.21Å; P508-I510 HydrophobicContact CG-CG1 4.08Å; P508-M568 HydrophobicContact CB-CG 4.37Å; P508-M568 HydrophobicContact CB-SD 4.06Å; P508-M568 HydrophobicContact CG-SD 4.3Å; P508-R599 HydrophobicContact CG-CB 4.2Å; P508-G631 CarbonylContact O-C 3.59Å; P508-G631 WeakPolarHBondContact O-CA 3.41Å; P508-I632 PolarHBondContact O-N 3.47Å | ||
| 509 | V | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 107.8 | 162.6 | 178 | 0 | 0 | 0 | 0 | 108.3 | F498 L501 L502 P566 I567 M568 I632 | F498-V509 HydrophobicContact CD1-CG1 4.02Å; F498-V509 HydrophobicContact CE1-CG1 4.02Å; L501-V509 HydrophobicContact CB-CG1 4.37Å; L501-V509 HydrophobicContact CB-CG2 3.91Å; L501-V509 HydrophobicContact CD1-CG1 3.85Å; L502-V509 HydrophobicContact CD2-CG2 3.76Å; L502-V509 HydrophobicContact CG-CG2 4.03Å; V509-P566 PolarHBondContact N-O 2.75Å; V509-I567 WeakPolarHBondContact O-CA 3.15Å; V509-M568 PolarHBondContact O-N 3.29Å; V509-I632 HydrophobicContact CG2-CG2 4.35Å |
| 510 | I | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 111 | -177.4 | -53.2 | 178.8 | 0 | 0 | 0 | 109.7 | P508 L512 M568 I570 C596 R599 T600 I632 I633 R634 | P508-I510 HydrophobicContact CB-CG1 4.21Å; P508-I510 HydrophobicContact CG-CD1 4.21Å; P508-I510 HydrophobicContact CG-CG1 4.08Å; I510-L512 PolarHBondContact O-N 2.81Å; I510-M568 HydrophobicContact CD1-SD 4.38Å; I510-M568 HydrophobicContact CG1-CB 4.35Å; I510-M568 HydrophobicContact CG1-SD 4.13Å; I510-M568 HydrophobicContact CG2-CB 4.46Å; I510-I570 HydrophobicContact CG2-CD1 3.75Å; I510-I570 HydrophobicContact CG2-CG1 4.34Å; I510-C596 HydrophobicContact CD1-CB 3.86Å; I510-R599 HydrophobicContact CD1-CB 4.19Å; I510-T600 HydrophobicContact CD1-CG2 3.88Å; I510-T600 HydrophobicContact CG1-CG2 4.43Å; I510-I632 PolarHBondContact N-O 3.24Å; I510-I633 WeakPolarHBondContact O-CA 3.45Å; I510-R634 PolarHBondContact O-N 3.26Å |
| 511 | V | 98 | Very high | 90.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.6 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | F498 F531 I535 I567 M568 Y569 I570 | F498-V511 HydrophobicContact CE1-CG2 3.69Å; F498-V511 HydrophobicContact CZ-CG2 3.86Å; V511-F531 HydrophobicContact CG1-CE1 3.41Å; V511-F531 VanDerWaalsContact CG1-CE1 3.41Å; V511-F531 HydrophobicContact CG1-CZ 3.5Å; V511-F531 HydrophobicContact CG2-CZ 4.48Å; V511-I535 HydrophobicContact CB-CD1 4.21Å; V511-I535 HydrophobicContact CG1-CD1 4.11Å; V511-I535 HydrophobicContact CG2-CD1 4.01Å; V511-I567 HydrophobicContact CG2-CG2 4.38Å; V511-M568 WeakPolarHBondContact CB-O 3.26Å; V511-M568 PolarHBondContact N-O 2.96Å; V511-Y569 HydrophobicContact CB-CD2 4.22Å; V511-Y569 HydrophobicContact CG1-CD2 3.93Å; V511-Y569 HydrophobicContact CG1-CE2 4.44Å; V511-I570 PolarHBondContact O-N 2.91Å |
| 512 | L | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 96.8 | 171.9 | -178.3 | 64.2 | 0 | 0 | 0 | 110.2 | I510 L514 I570 F572 L589 I593 I633 R634 V635 N636 A647 | I510-L512 PolarHBondContact O-N 2.81Å; L512-L514 HydrophobicContact CD1-CD2 4.3Å; L512-L514 HydrophobicContact CD2-CD2 4.26Å; L512-L514 HydrophobicContact CG-CD2 3.92Å; L512-I570 HydrophobicContact CD1-CB 4.29Å; L512-I570 HydrophobicContact CD1-CG2 3.99Å; L512-F572 HydrophobicContact CD1-CB 4.17Å; L512-L589 HydrophobicContact CD1-CD1 4.42Å; L512-L589 HydrophobicContact CD2-CD1 4.33Å; L512-I593 HydrophobicContact CD2-CD1 3.63Å; L512-I633 HydrophobicContact CB-CG2 4.31Å; L512-R634 PolarHBondContact N-O 2.64Å; L512-V635 HydrophobicContact CB-CG2 4.5Å; L512-V635 HydrophobicContact CD2-CG1 4.32Å; L512-V635 HydrophobicContact CD2-CG2 4.26Å; L512-N636 PolarHBondContact O-N 3.27Å; L512-N636 PolarHBondContact O-OD1 3.23Å; L512-A647 HydrophobicContact CD2-CB 4.28Å |
| 513 | N | 97.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 114.7 | -177.2 | -180 | 21.9 | 0 | 0 | 0 | 111.5 | M515 S528 Y569 I570 F572 N636 | N513-M515 WeakPolarHBondContact ND2-CE 3.44Å; N513-M515 WeakPolarHBondContact OD1-CB 3.26Å; N513-M515 WeakPolarHBondContact OD1-CE 3.25Å; N513-M515 VanDerWaalsContact OD1-CG 3.28Å; N513-M515 WeakPolarHBondContact OD1-CG 3.42Å; N513-M515 PolarHBondContact OD1-N 2.68Å; N513-S528 PolarHBondContact ND2-OG 2.83Å; N513-Y569 HydrophobicContact CB-CD2 4.49Å; N513-Y569 HydrophobicContact CB-CE2 3.65Å; N513-Y569 PolarHBondContact ND2-OH 2.79Å; N513-I570 PolarHBondContact N-O 3.09Å; N513-F572 PolarHBondContact O-N 3.09Å; N513-N636 WeakPolarHBondContact CA-OD1 3.4Å; N513-N636 PolarHBondContact OD1-ND2 3.23Å |
| 514 | L | 96.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -98.6 | 12.2 | -176.2 | -52.8 | 178.2 | 0 | 0 | 0 | 114.5 | L512 F572 I574 V635 N636 C637 R643 T644 A647 | L512-L514 HydrophobicContact CD1-CD2 4.3Å; L512-L514 HydrophobicContact CD2-CD2 4.26Å; L512-L514 HydrophobicContact CG-CD2 3.92Å; L514-F572 WeakPolarHBondContact CA-O 3.39Å; L514-F572 HydrophobicContact CD2-CB 4.25Å; L514-F572 HydrophobicContact CD2-CD1 4.01Å; L514-I574 HydrophobicContact CB-CG2 4.04Å; L514-V635 HydrophobicContact CD1-CG1 3.59Å; L514-V635 HydrophobicContact CG-CG1 4.08Å; L514-N636 WeakPolarHBondContact CB-O 3.24Å; L514-N636 PolarHBondContact N-O 3.28Å; L514-C637 HydrophobicContact CB-CB 4.19Å; L514-R643 HydrophobicContact CD1-CB 4.2Å; L514-R643 WeakPolarHBondContact CD1-O 3.19Å; L514-R643 PolarHBondContact O-NH1 3.4Å; L514-T644 HydrophobicContact CD1-CG2 4.25Å; L514-A647 HydrophobicContact CD1-CB 3.55Å; L514-A647 HydrophobicContact CD2-CB 4.38Å | ||
| 515 | M | 94.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -71.3 | 153.2 | 178.9 | -69 | -170.6 | -70.4 | 0 | 0 | 111.7 | V464 N513 E524 L527 F531 | V464-M515 HydrophobicContact CG2-CE 3.63Å; V464-M515 HydrophobicContact CG2-SD 3.79Å; N513-M515 WeakPolarHBondContact ND2-CE 3.44Å; N513-M515 WeakPolarHBondContact OD1-CB 3.26Å; N513-M515 WeakPolarHBondContact OD1-CE 3.25Å; N513-M515 VanDerWaalsContact OD1-CG 3.28Å; N513-M515 WeakPolarHBondContact OD1-CG 3.42Å; N513-M515 PolarHBondContact OD1-N 2.68Å; M515-E524 HydrophobicContact CB-CB 4.27Å; M515-L527 HydrophobicContact CE-CG 4.26Å; M515-L527 HydrophobicContact SD-CB 4.19Å; M515-L527 HydrophobicContact SD-CD2 3.67Å; M515-L527 HydrophobicContact SD-CG 3.97Å; M515-F531 HydrophobicContact CE-CD1 4.3Å | ||
| 516 | K | 89.8 | Confident | 88.6 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | trans | -71.9 | 136 | 177.6 | -66.8 | 159.8 | -177.3 | 156.3 | 0 | 111.8 | E519 E524 T525 D573 A575 R643 | K516-E519 HydrophobicContact CB-CG 3.69Å; K516-E519 VanDerWaalsContact CD-CD 3.42Å; K516-E519 HydrophobicContact CD-CG 3.68Å; K516-E519 WeakPolarHBondContact CD-OE1 3.28Å; K516-E519 WeakPolarHBondContact CE-OE1 2.98Å; K516-E519 HydrophobicContact CG-CG 4.37Å; K516-E519 IonicContact NZ-OE1 2.82Å; K516-E519 PolarHBondContact NZ-OE1 2.83Å; K516-E524 HydrophobicContact CB-CB 4.24Å; K516-E524 HydrophobicContact CD-CG 4.49Å; K516-E524 WeakPolarHBondContact CG-OE2 3.26Å; K516-E524 PolarHBondContact N-OE2 2.96Å; K516-E524 IonicContact NZ-OE1 3.49Å; K516-E524 PolarHBondContact NZ-OE1 3.44Å; K516-E524 VanDerWaalsContact NZ-OE1 3.11Å; K516-T525 PolarHBondContact O-N 3.45Å; K516-T525 PolarHBondContact O-OG1 2.78Å; K516-D573 WeakPolarHBondContact CA-OD2 3.44Å; K516-A575 HydrophobicContact CD-CB 4.31Å; K516-A575 HydrophobicContact CG-CB 3.74Å; K516-R643 VanDerWaalsContact CE-NH2 3.29Å | ||
| 517 | K | 85.4 | Confident | 88.7 | Confident | 83 Ų | 83 | 48.5 Ų | 48.5 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -98.4 | -18.4 | 172.5 | -68.4 | -161.9 | 168.3 | -157 | 0 | 113 | E532 D573 | K517-E532 IonicContact NZ-OE1 3.76Å; K517-E532 IonicContact NZ-OE2 3.71Å; K517-E532 PolarHBondContact NZ-OE2 3.38Å; K517-D573 PolarHBondContact N-OD2 2.94Å |
| 518 | R | 80.3 | Confident | 88.9 | Confident | 183 Ų | 183 | 48.3 Ų | 48.3 | 69% | 0.691 | 21% | 0.209 | S | C | * | . | trans | -124.9 | 104.4 | 179 | -64.9 | -175 | -178 | -176.3 | -0.1 | 111.3 | ||||
| 519 | E | 82.4 | Confident | 88.8 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 24% | 0.238 | 23% | 0.225 | C | C | . | . | trans | -131.9 | 148.8 | 176.7 | -62.3 | -167 | 109 | 0 | 0 | 111.5 | K516 R521 E524 | K516-E519 HydrophobicContact CB-CG 3.69Å; K516-E519 VanDerWaalsContact CD-CD 3.42Å; K516-E519 HydrophobicContact CD-CG 3.68Å; K516-E519 WeakPolarHBondContact CD-OE1 3.28Å; K516-E519 WeakPolarHBondContact CE-OE1 2.98Å; K516-E519 HydrophobicContact CG-CG 4.37Å; K516-E519 IonicContact NZ-OE1 2.82Å; K516-E519 PolarHBondContact NZ-OE1 2.83Å; E519-R521 WeakPolarHBondContact CB-O 3.28Å; E519-E524 WeakPolarHBondContact OE2-CB 3.49Å; E519-E524 PolarHBondContact OE2-N 2.95Å | ||
| 520 | K | 78 | Confident | 88.6 | Confident | 228 Ų | 228 | 54.5 Ų | 54.5 | 99% | 0.991 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -64.8 | -41.2 | 175.5 | -69.3 | -172.3 | 177.5 | -173.9 | 0 | 112 | ||
| 521 | R | 77.6 | Confident | 88.5 | Confident | 191 Ų | 191 | 54.5 Ų | 54.5 | 72% | 0.721 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -110.9 | 120.4 | 172 | -180 | 177.9 | 178.1 | 176.3 | 0.4 | 106.8 | E519 F523 | E519-R521 WeakPolarHBondContact CB-O 3.28Å; R521-F523 PolarHBondContact O-N 3.02Å; R521-F523 VanDerWaalsContact O-N 3.14Å |
| 522 | Q | 73.7 | Confident | 88.3 | Confident | 145 Ų | 145 | 57.5 Ų | 57.5 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | trans | -61.7 | 115.8 | 178 | -68.1 | -179.6 | -15.4 | 0 | 0 | 109.2 | ||||
| 523 | F | 80.4 | Confident | 88.1 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -139.7 | -69 | 179.2 | -178.7 | -95 | 0 | 0 | 0 | 109.9 | Q470 R479 L482 R521 T525 V638 | Q470-F523 HydrophobicContact CG-CZ 4.42Å; R479-F523 HydrophobicContact CG-CZ 4.39Å; L482-F523 HydrophobicContact CB-CD2 3.69Å; L482-F523 HydrophobicContact CB-CE1 4.5Å; L482-F523 HydrophobicContact CB-CE2 3.32Å; L482-F523 HydrophobicContact CB-CG 4.47Å; L482-F523 HydrophobicContact CB-CZ 3.75Å; R521-F523 PolarHBondContact O-N 3.02Å; R521-F523 VanDerWaalsContact O-N 3.14Å; F523-T525 VanDerWaalsContact C-N 3.32Å; F523-V638 HydrophobicContact CE1-CG2 4.12Å |
| 524 | E | 88.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.8 | -29.7 | 176.6 | -53.7 | -175.5 | -160.7 | 0 | 0 | 110.7 | R479 M515 K516 E519 L527 S528 V638 R643 | R479-E524 IonicContact NH1-OE1 2.7Å; R479-E524 PolarHBondContact NH1-OE1 3.4Å; R479-E524 VanDerWaalsContact NH1-OE1 3.14Å; M515-E524 HydrophobicContact CB-CB 4.27Å; K516-E524 HydrophobicContact CB-CB 4.24Å; K516-E524 HydrophobicContact CD-CG 4.49Å; K516-E524 WeakPolarHBondContact CG-OE2 3.26Å; K516-E524 PolarHBondContact N-OE2 2.96Å; K516-E524 IonicContact NZ-OE1 3.49Å; K516-E524 PolarHBondContact NZ-OE1 3.44Å; K516-E524 VanDerWaalsContact NZ-OE1 3.11Å; E519-E524 WeakPolarHBondContact OE2-CB 3.49Å; E519-E524 PolarHBondContact OE2-N 2.95Å; E524-L527 PolarHBondContact O-N 3.46Å; E524-S528 WeakPolarHBondContact O-CB 3.24Å; E524-S528 PolarHBondContact O-N 3.37Å; E524-V638 HydrophobicContact CG-CB 4.32Å; E524-V638 HydrophobicContact CG-CG1 4.26Å; E524-R643 IonicContact OE1-CZ 2.68Å; E524-R643 IonicContact OE1-NH1 3.56Å; E524-R643 IonicContact OE1-NH2 2.83Å; E524-R643 PolarHBondContact OE1-NH2 2.86Å; E524-R643 IonicContact OE2-CZ 2.57Å; E524-R643 IonicContact OE2-NH1 3.11Å; E524-R643 PolarHBondContact OE2-NH1 3.22Å; E524-R643 IonicContact OE2-NH2 3.28Å; E524-R643 PolarHBondContact OE2-NH2 3.43Å |
| 525 | T | 88.7 | Confident | 87.7 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 179.4 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | K516 F523 L527 S528 D529 | K516-T525 PolarHBondContact O-N 3.45Å; K516-T525 PolarHBondContact O-OG1 2.78Å; F523-T525 VanDerWaalsContact C-N 3.32Å; T525-L527 VanDerWaalsContact C-N 3.29Å; T525-L527 PolarHBondContact O-N 2.97Å; T525-S528 WeakPolarHBondContact O-CB 3.3Å; T525-S528 PolarHBondContact O-N 3.24Å; T525-S528 VanDerWaalsContact O-N 3.13Å; T525-D529 PolarHBondContact O-N 2.89Å |
| 526 | T | 88.5 | Confident | 87.6 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59 | -40.9 | 177.6 | -49 | 0 | 0 | 0 | 0 | 112.2 | R530 | T526-R530 WeakPolarHBondContact O-CB 3.48Å; T526-R530 VanDerWaalsContact O-CG 3.32Å; T526-R530 WeakPolarHBondContact O-CG 3.33Å; T526-R530 PolarHBondContact O-N 3.29Å; T526-R530 VanDerWaalsContact O-N 3.14Å |
| 527 | L | 91.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 177.9 | -172.3 | 65.8 | 0 | 0 | 0 | 111.1 | V464 L466 W468 L482 I484 M515 E524 T525 F531 | V464-L527 HydrophobicContact CB-CD1 4.43Å; V464-L527 HydrophobicContact CB-CD2 4.14Å; V464-L527 HydrophobicContact CB-CG 4.3Å; V464-L527 HydrophobicContact CG1-CD1 4.09Å; V464-L527 HydrophobicContact CG1-CD2 4.49Å; V464-L527 HydrophobicContact CG1-CG 4.1Å; V464-L527 HydrophobicContact CG2-CD2 3.89Å; V464-L527 HydrophobicContact CG2-CG 4.26Å; L466-L527 HydrophobicContact CB-CD1 4.48Å; L466-L527 HydrophobicContact CD1-CD1 3.78Å; W468-L527 HydrophobicContact CB-CD1 4.22Å; W468-L527 HydrophobicContact CD2-CD1 4.08Å; W468-L527 HydrophobicContact CD2-CD2 3.93Å; W468-L527 HydrophobicContact CE3-CD2 4.19Å; W468-L527 HydrophobicContact CG-CD1 3.8Å; W468-L527 HydrophobicContact CG-CD2 4.49Å; W468-L527 HydrophobicContact CH2-CD2 4.02Å; W468-L527 HydrophobicContact CZ2-CD2 3.8Å; W468-L527 HydrophobicContact CZ3-CD2 4.21Å; L482-L527 HydrophobicContact CD1-CB 4.03Å; L482-L527 HydrophobicContact CD1-CD2 3.98Å; L482-L527 HydrophobicContact CD1-CG 4.41Å; I484-L527 HydrophobicContact CD1-CD1 4.2Å; M515-L527 HydrophobicContact CE-CG 4.26Å; M515-L527 HydrophobicContact SD-CB 4.19Å; M515-L527 HydrophobicContact SD-CD2 3.67Å; M515-L527 HydrophobicContact SD-CG 3.97Å; E524-L527 PolarHBondContact O-N 3.46Å; T525-L527 VanDerWaalsContact C-N 3.29Å; T525-L527 PolarHBondContact O-N 2.97Å; L527-F531 WeakPolarHBondContact O-CB 3.36Å; L527-F531 PolarHBondContact O-N 3.44Å |
| 528 | S | 92.6 | Very high | 88 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.7 | -168.9 | 0 | 0 | 0 | 0 | 112.2 | N513 E524 T525 R530 F531 E532 Y569 | N513-S528 PolarHBondContact ND2-OG 2.83Å; E524-S528 WeakPolarHBondContact O-CB 3.24Å; E524-S528 PolarHBondContact O-N 3.37Å; T525-S528 WeakPolarHBondContact O-CB 3.3Å; T525-S528 PolarHBondContact O-N 3.24Å; T525-S528 VanDerWaalsContact O-N 3.13Å; S528-R530 VanDerWaalsContact C-N 3.33Å; S528-R530 PolarHBondContact O-N 2.67Å; S528-F531 PolarHBondContact O-N 2.89Å; S528-E532 WeakPolarHBondContact O-CB 3.24Å; S528-E532 PolarHBondContact O-N 2.86Å; S528-Y569 PolarHBondContact OG-OH 3.48Å |
| 529 | D | 92.2 | Very high | 88.4 | Confident | 69 Ų | 69 | 58.7 Ų | 58.7 | 37% | 0.369 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.4 | -35.2 | -177.9 | -63.4 | -13.4 | 0 | 0 | 0 | 111.5 | T525 R533 | T525-D529 PolarHBondContact O-N 2.89Å; D529-R533 WeakPolarHBondContact O-CB 3.09Å; D529-R533 VanDerWaalsContact O-CG 3.27Å; D529-R533 WeakPolarHBondContact O-CG 3.38Å; D529-R533 PolarHBondContact O-N 2.9Å; D529-R533 VanDerWaalsContact O-N 3.07Å; D529-R533 PolarHBondContact O-NE 3.42Å |
| 530 | R | 90.5 | Very high | 88.7 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70 | -37.8 | 174.1 | -75.8 | 175.8 | 175.1 | -122.4 | 5.1 | 112.1 | L466 D487 Y491 T526 S528 R533 G534 | L466-R530 HydrophobicContact CD1-CB 3.77Å; D487-R530 IonicContact OD1-CZ 3.78Å; D487-R530 IonicContact OD1-NH1 3.72Å; D487-R530 PolarHBondContact OD1-NH1 3.03Å; D487-R530 IonicContact OD1-NH2 3.05Å; Y491-R530 PolarHBondContact OH-O 3.43Å; T526-R530 WeakPolarHBondContact O-CB 3.48Å; T526-R530 VanDerWaalsContact O-CG 3.32Å; T526-R530 WeakPolarHBondContact O-CG 3.33Å; T526-R530 PolarHBondContact O-N 3.29Å; T526-R530 VanDerWaalsContact O-N 3.14Å; S528-R530 VanDerWaalsContact C-N 3.33Å; S528-R530 PolarHBondContact O-N 2.67Å; R530-R533 VanDerWaalsContact CG-NH2 3.26Å; R530-G534 PolarHBondContact O-N 3.31Å |
| 531 | F | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.1 | -43.5 | 178.1 | -176.2 | -147.1 | 0 | 0 | 0 | 111.5 | V464 P465 L466 M494 F498 V511 M515 L527 S528 G534 I535 Y569 | V464-F531 HydrophobicContact CG1-CB 3.82Å; V464-F531 HydrophobicContact CG1-CD1 4.01Å; V464-F531 HydrophobicContact CG1-CD2 4.05Å; V464-F531 HydrophobicContact CG1-CG 3.71Å; P465-F531 HydrophobicContact CG-CD2 4.01Å; P465-F531 HydrophobicContact CG-CE2 3.38Å; P465-F531 HydrophobicContact CG-CZ 4.09Å; L466-F531 HydrophobicContact CD1-CB 4.18Å; M494-F531 HydrophobicContact CE-CD2 3.45Å; M494-F531 VanDerWaalsContact CE-CD2 3.45Å; M494-F531 HydrophobicContact CE-CE2 3.61Å; M494-F531 HydrophobicContact SD-CD2 4.13Å; M494-F531 HydrophobicContact SD-CE2 4.44Å; F498-F531 HydrophobicContact CE2-CE2 4.33Å; F498-F531 HydrophobicContact CZ-CE2 4.09Å; F498-F531 HydrophobicContact CZ-CZ 4.35Å; V511-F531 HydrophobicContact CG1-CE1 3.41Å; V511-F531 VanDerWaalsContact CG1-CE1 3.41Å; V511-F531 HydrophobicContact CG1-CZ 3.5Å; V511-F531 HydrophobicContact CG2-CZ 4.48Å; M515-F531 HydrophobicContact CE-CD1 4.3Å; L527-F531 WeakPolarHBondContact O-CB 3.36Å; L527-F531 PolarHBondContact O-N 3.44Å; S528-F531 PolarHBondContact O-N 2.89Å; F531-G534 PolarHBondContact O-N 2.92Å; F531-I535 HydrophobicContact CD2-CD1 4.16Å; F531-I535 HydrophobicContact CD2-CG1 4.34Å; F531-I535 HydrophobicContact CE1-CD1 4.33Å; F531-I535 HydrophobicContact CE2-CD1 3.81Å; F531-I535 HydrophobicContact CE2-CG1 4.11Å; F531-I535 HydrophobicContact CZ-CD1 3.91Å; F531-I535 WeakPolarHBondContact O-CG1 3.48Å; F531-I535 PolarHBondContact O-N 3.29Å; F531-Y569 HydrophobicContact CD1-CE2 4.28Å |
| 532 | E | 94.9 | Very high | 89.6 | Confident | 64 Ų | 64 | 45.7 Ų | 45.7 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.6 | -167.9 | 163 | 162.9 | 0 | 0 | 110.8 | K517 S528 G534 I535 T536 Y569 | K517-E532 IonicContact NZ-OE1 3.76Å; K517-E532 IonicContact NZ-OE2 3.71Å; K517-E532 PolarHBondContact NZ-OE2 3.38Å; S528-E532 WeakPolarHBondContact O-CB 3.24Å; S528-E532 PolarHBondContact O-N 2.86Å; E532-G534 PolarHBondContact O-N 3.3Å; E532-I535 PolarHBondContact O-N 3.38Å; E532-T536 PolarHBondContact O-N 2.98Å; E532-T536 PolarHBondContact O-OG1 3.15Å; E532-T536 VanDerWaalsContact O-OG1 3.09Å; E532-Y569 HydrophobicContact CB-CE1 4.13Å; E532-Y569 HydrophobicContact CB-CE2 4.43Å; E532-Y569 HydrophobicContact CG-CD1 4.01Å; E532-Y569 HydrophobicContact CG-CE1 3.58Å; E532-Y569 WeakPolarHBondContact OE2-CE1 3.47Å; E532-Y569 PolarHBondContact OE2-OH 3.18Å |
| 533 | R | 92.5 | Very high | 90 | Very high | 143 Ų | 143 | 40.8 Ų | 40.8 | 54% | 0.54 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 173.9 | -79.2 | -175.7 | -72.8 | 168.1 | -8 | 113.4 | D529 R530 I535 T536 Y537 | D529-R533 WeakPolarHBondContact O-CB 3.09Å; D529-R533 VanDerWaalsContact O-CG 3.27Å; D529-R533 WeakPolarHBondContact O-CG 3.38Å; D529-R533 PolarHBondContact O-N 2.9Å; D529-R533 VanDerWaalsContact O-N 3.07Å; D529-R533 PolarHBondContact O-NE 3.42Å; R530-R533 VanDerWaalsContact CG-NH2 3.26Å; R533-I535 VanDerWaalsContact C-N 3.34Å; R533-I535 PolarHBondContact O-N 3.16Å; R533-T536 PolarHBondContact O-N 3.49Å; R533-Y537 WeakPolarHBondContact O-CB 3.5Å; R533-Y537 PolarHBondContact O-N 3.22Å |
| 534 | G | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y491 M494 R530 F531 E532 Y537 L538 | Y491-G534 VanDerWaalsContact CZ-CA 3.42Å; M494-G534 VanDerWaalsContact CE-C 3.42Å; R530-G534 PolarHBondContact O-N 3.31Å; F531-G534 PolarHBondContact O-N 2.92Å; E532-G534 PolarHBondContact O-N 3.3Å; G534-Y537 PolarHBondContact O-N 3.4Å; G534-L538 WeakPolarHBondContact O-CB 3.36Å; G534-L538 VanDerWaalsContact O-CG 3.29Å; G534-L538 WeakPolarHBondContact O-CG 3.47Å; G534-L538 PolarHBondContact O-N 3.21Å |
| 535 | I | 93.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 174.9 | -67 | 169.5 | 0 | 0 | 0 | 110.2 | M494 F498 V511 F531 E532 R533 Y537 L538 S539 I567 Y569 | M494-I535 HydrophobicContact CE-CB 4.39Å; M494-I535 HydrophobicContact CE-CG1 3.51Å; M494-I535 VanDerWaalsContact CE-N 3.33Å; F498-I535 HydrophobicContact CE2-CG1 4.23Å; F498-I535 HydrophobicContact CZ-CD1 4.32Å; F498-I535 HydrophobicContact CZ-CG1 4.11Å; V511-I535 HydrophobicContact CB-CD1 4.21Å; V511-I535 HydrophobicContact CG1-CD1 4.11Å; V511-I535 HydrophobicContact CG2-CD1 4.01Å; F531-I535 HydrophobicContact CD2-CD1 4.16Å; F531-I535 HydrophobicContact CD2-CG1 4.34Å; F531-I535 HydrophobicContact CE1-CD1 4.33Å; F531-I535 HydrophobicContact CE2-CD1 3.81Å; F531-I535 HydrophobicContact CE2-CG1 4.11Å; F531-I535 HydrophobicContact CZ-CD1 3.91Å; F531-I535 WeakPolarHBondContact O-CG1 3.48Å; F531-I535 PolarHBondContact O-N 3.29Å; E532-I535 PolarHBondContact O-N 3.38Å; R533-I535 VanDerWaalsContact C-N 3.34Å; R533-I535 PolarHBondContact O-N 3.16Å; I535-Y537 VanDerWaalsContact C-N 3.29Å; I535-Y537 PolarHBondContact O-N 3.29Å; I535-L538 PolarHBondContact O-N 3.19Å; I535-S539 VanDerWaalsContact O-CB 3.28Å; I535-S539 WeakPolarHBondContact O-CB 3.39Å; I535-S539 PolarHBondContact O-N 3.01Å; I535-S539 PolarHBondContact O-OG 3.19Å; I535-I567 HydrophobicContact CG2-CG2 3.92Å; I535-Y569 HydrophobicContact CD1-CD2 3.44Å; I535-Y569 VanDerWaalsContact CD1-CD2 3.44Å; I535-Y569 HydrophobicContact CD1-CE2 4.24Å; I535-Y569 HydrophobicContact CD1-CG 4.1Å |
| 536 | T | 92.7 | Very high | 88.2 | Confident | 87 Ų | 87 | 52.1 Ų | 52.1 | 53% | 0.534 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | E532 R533 | E532-T536 PolarHBondContact O-N 2.98Å; E532-T536 PolarHBondContact O-OG1 3.15Å; E532-T536 VanDerWaalsContact O-OG1 3.09Å; R533-T536 PolarHBondContact O-N 3.49Å |
| 537 | Y | 91.1 | Very high | 87.1 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -54.4 | 176.1 | 176.4 | -97.6 | 0 | 0 | 0 | 111.7 | F490 Y491 R533 G534 I535 S539 Q540 F541 | F490-Y537 WeakPolarHBondContact O-CE1 3.42Å; Y491-Y537 AromaticContact CD2-CD1 3.78Å; Y491-Y537 HydrophobicContact CD2-CD1 3.78Å; Y491-Y537 HydrophobicContact CD2-CG 4.09Å; R533-Y537 WeakPolarHBondContact O-CB 3.5Å; R533-Y537 PolarHBondContact O-N 3.22Å; G534-Y537 PolarHBondContact O-N 3.4Å; I535-Y537 VanDerWaalsContact C-N 3.29Å; I535-Y537 PolarHBondContact O-N 3.29Å; Y537-S539 PolarHBondContact O-N 3.2Å; Y537-Q540 WeakPolarHBondContact O-CB 3.48Å; Y537-Q540 WeakPolarHBondContact O-CG 3.23Å; Y537-Q540 PolarHBondContact O-N 3.48Å; Y537-Q540 VanDerWaalsContact O-N 3.14Å; Y537-F541 HydrophobicContact CD1-CE2 4.12Å; Y537-F541 AromaticContact CE1-CE2 3.63Å; Y537-F541 HydrophobicContact CE1-CE2 3.63Å; Y537-F541 HydrophobicContact CE1-CZ 4.24Å; Y537-F541 HydrophobicContact CE2-CE2 4.18Å; Y537-F541 HydrophobicContact CE2-CZ 4.24Å; Y537-F541 AromaticContact CZ-CE2 3.66Å; Y537-F541 AromaticContact CZ-CZ 3.81Å; Y537-F541 WeakPolarHBondContact O-CE2 3.27Å |
| 538 | L | 91.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -32.1 | -178.2 | -67.9 | 174.7 | 0 | 0 | 0 | 112.7 | M494 F498 G534 I535 Q540 F541 W838 | M494-L538 HydrophobicContact CB-CD1 4.3Å; M494-L538 HydrophobicContact CE-CD1 4.3Å; M494-L538 HydrophobicContact CG-CD1 3.82Å; F498-L538 HydrophobicContact CD2-CD1 3.94Å; F498-L538 HydrophobicContact CE2-CD1 4.44Å; G534-L538 WeakPolarHBondContact O-CB 3.36Å; G534-L538 VanDerWaalsContact O-CG 3.29Å; G534-L538 WeakPolarHBondContact O-CG 3.47Å; G534-L538 PolarHBondContact O-N 3.21Å; I535-L538 PolarHBondContact O-N 3.19Å; L538-Q540 PolarHBondContact O-N 3.26Å; L538-F541 PolarHBondContact O-N 2.88Å; L538-W838 HydrophobicContact CB-CZ2 3.95Å; L538-W838 HydrophobicContact CD2-CD2 4.18Å; L538-W838 HydrophobicContact CD2-CG 4.23Å; L538-W838 HydrophobicContact CD2-CZ2 4.35Å |
| 539 | S | 89.9 | Confident | 83.9 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.4 | -19.3 | 179.4 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | I535 Y537 F541 L542 | I535-S539 VanDerWaalsContact O-CB 3.28Å; I535-S539 WeakPolarHBondContact O-CB 3.39Å; I535-S539 PolarHBondContact O-N 3.01Å; I535-S539 PolarHBondContact O-OG 3.19Å; Y537-S539 PolarHBondContact O-N 3.2Å; S539-F541 PolarHBondContact O-N 2.77Å; S539-L542 PolarHBondContact O-N 3.27Å |
| 540 | Q | 88.6 | Confident | 81.8 | Confident | 137 Ų | 137 | 63.5 Ų | 63.5 | 64% | 0.64 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -24.5 | 176.9 | -61.9 | 172.8 | 16.8 | 0 | 0 | 112.7 | Y537 L538 | Y537-Q540 WeakPolarHBondContact O-CB 3.48Å; Y537-Q540 WeakPolarHBondContact O-CG 3.23Å; Y537-Q540 PolarHBondContact O-N 3.48Å; Y537-Q540 VanDerWaalsContact O-N 3.14Å; L538-Q540 PolarHBondContact O-N 3.26Å |
| 541 | F | 86.3 | Confident | 79.6 | Confident | 45 Ų | 45 | 67.6 Ų | 67.6 | 20% | 0.197 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -8.9 | -178.8 | -52.7 | -75.3 | 0 | 0 | 0 | 113 | Y537 L538 S539 T836 W838 | Y537-F541 HydrophobicContact CD1-CE2 4.12Å; Y537-F541 AromaticContact CE1-CE2 3.63Å; Y537-F541 HydrophobicContact CE1-CE2 3.63Å; Y537-F541 HydrophobicContact CE1-CZ 4.24Å; Y537-F541 HydrophobicContact CE2-CE2 4.18Å; Y537-F541 HydrophobicContact CE2-CZ 4.24Å; Y537-F541 AromaticContact CZ-CE2 3.66Å; Y537-F541 AromaticContact CZ-CZ 3.81Å; Y537-F541 WeakPolarHBondContact O-CE2 3.27Å; L538-F541 PolarHBondContact O-N 2.88Å; S539-F541 PolarHBondContact O-N 2.77Å; F541-T836 HydrophobicContact CD1-CG2 4.37Å; F541-T836 HydrophobicContact CE1-CG2 3.81Å; F541-W838 AromaticContact CD2-NE1 3.76Å |
| 542 | L | 87.5 | Confident | 77.3 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -92.4 | 151.8 | 179.8 | -63.8 | 176.2 | 0 | 0 | 0 | 110.3 | S539 S544 P566 I567 W838 L844 | S539-L542 PolarHBondContact O-N 3.27Å; L542-S544 PolarHBondContact O-N 2.81Å; L542-P566 HydrophobicContact CB-CG 4.26Å; L542-P566 HydrophobicContact CD1-CB 4.28Å; L542-I567 HydrophobicContact CD1-CB 4.38Å; L542-I567 HydrophobicContact CD1-CD1 3.54Å; L542-I567 HydrophobicContact CD1-CG1 3.73Å; L542-W838 HydrophobicContact CD1-CH2 4.07Å; L542-W838 HydrophobicContact CD1-CZ2 4Å; L542-W838 HydrophobicContact CD2-CH2 3.87Å; L542-W838 HydrophobicContact CD2-CZ2 3.73Å; L542-W838 HydrophobicContact CG-CH2 4.25Å; L542-W838 HydrophobicContact CG-CZ2 3.84Å; L542-L844 HydrophobicContact CD2-CD1 4.43Å; L542-L844 HydrophobicContact CD2-CD2 3.6Å |
| 543 | P | 81.7 | Confident | 74.8 | Confident | 42 Ų | 42 | 74.5 Ų | 74.5 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | trans | -59.9 | 139 | 171.5 | 28.5 | -35.4 | 0 | 0 | 0 | 109.2 | R545 P566 | P543-R545 WeakPolarHBondContact CB-O 3.41Å; P543-R545 PolarHBondContact O-N 3.46Å; P543-P566 HydrophobicContact CG-CG 3.97Å; P543-P566 WeakPolarHBondContact O-CD 3.49Å | ||
| 544 | S | 76.4 | Confident | 72.3 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 73% | 0.727 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -62 | -24.5 | 179.6 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | L542 | L542-S544 PolarHBondContact O-N 2.81Š|
| 545 | R | 73.7 | Confident | 69.7 | Low | 158 Ų | 158 | 79.1 Ų | 79.1 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -138.8 | 149.6 | 178 | -61.2 | -176.7 | -177.1 | -175.8 | 1.6 | 110.6 | P543 | P543-R545 WeakPolarHBondContact CB-O 3.41Å; P543-R545 PolarHBondContact O-N 3.46Å |
| 546 | I | 71.3 | Confident | 67.1 | Low | 18 Ų | 18 | 86.2 Ų | 86.2 | 9% | 0.092 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 131.6 | 174.6 | -60.4 | 161.1 | 0 | 0 | 0 | 109.2 | S507 Q548 S564 L847 P848 | S507-I546 WeakPolarHBondContact OG-CD1 3.42Å; S507-I546 WeakPolarHBondContact OG-CG1 3.34Å; I546-Q548 PolarHBondContact O-N 3.03Å; I546-S564 WeakPolarHBondContact CG1-O 3.32Å; I546-L847 HydrophobicContact CG2-CB 4.33Å; I546-P848 HydrophobicContact CG2-CB 3.92Å; I546-P848 HydrophobicContact CG2-CG 4.24Å |
| 547 | P | 65.3 | Low | 64.6 | Low | 60 Ų | 60 | 88.4 Ų | 88.4 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 135.1 | 173 | -20.4 | 31.5 | 0 | 0 | 0 | 111.3 | ||
| 548 | Q | 59 | Low | 62.1 | Low | 127 Ų | 127 | 86.8 Ų | 86.8 | 59% | 0.593 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 136.6 | 174.1 | -65.3 | -166.6 | 27 | 0 | 0 | 110.3 | I546 S550 | I546-Q548 PolarHBondContact O-N 3.03Å; Q548-S550 PolarHBondContact O-N 3.22Å |
| 549 | P | 56.3 | Low | 59.7 | Low | 55 Ų | 55 | 95.8 Ų | 95.8 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 124.5 | 178.7 | 21.6 | -28.1 | 0 | 0 | 0 | 111.9 | D551 S552 | P549-D551 VanDerWaalsContact C-N 3.28Å; P549-D551 PolarHBondContact O-N 3.01Å; P549-S552 PolarHBondContact O-OG 3.47Å; P549-S552 VanDerWaalsContact O-OG 3.05Å |
| 550 | S | 48.1 | Very low | 57.5 | Low | 112 Ų | 112 | 98.8 Ų | 98.8 | 78% | 0.783 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.7 | -178 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | Q548 S552 | Q548-S550 PolarHBondContact O-N 3.22Å; S550-S552 VanDerWaalsContact C-N 3.26Å; S550-S552 PolarHBondContact O-N 2.85Å |
| 551 | D | 45.8 | Very low | 55.6 | Low | 150 Ų | 150 | 94.5 Ų | 94.5 | 80% | 0.802 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 16.5 | -166.1 | -64.8 | -4.6 | 0 | 0 | 0 | 114 | P549 L553 | P549-D551 VanDerWaalsContact C-N 3.28Å; P549-D551 PolarHBondContact O-N 3.01Å; D551-L553 PolarHBondContact O-N 3.08Å |
| 552 | S | 44.7 | Very low | 54.2 | Low | 40 Ų | 40 | 94.2 Ų | 94.2 | 28% | 0.28 | 51% | 0.51 | S | S | . | . | trans | -95.6 | 83.4 | -172.6 | -42 | 0 | 0 | 0 | 0 | 110.2 | P549 S550 N554 | P549-S552 PolarHBondContact O-OG 3.47Å; P549-S552 VanDerWaalsContact O-OG 3.05Å; S550-S552 VanDerWaalsContact C-N 3.26Å; S550-S552 PolarHBondContact O-N 2.85Å; S552-N554 PolarHBondContact O-N 3.11Å | ||
| 553 | L | 42.7 | Very low | 53 | Low | 169 Ų | 169 | 97.3 Ų | 97.3 | 89% | 0.885 | 53% | 0.532 | S | S | * | . | trans | -61.1 | 3.4 | 169.3 | -146.9 | 88.2 | 0 | 0 | 0 | 113.5 | D551 | D551-L553 PolarHBondContact O-N 3.08Š| ||
| 554 | N | 39.5 | Very low | 52.6 | Low | 130 Ų | 130 | 95.5 Ų | 95.5 | 70% | 0.695 | 52% | 0.521 | S | S | * | . | trans | -102.3 | 59 | 175.5 | -70.9 | -22.1 | 0 | 0 | 0 | 110.5 | S552 L556 I558 | S552-N554 PolarHBondContact O-N 3.11Å; N554-L556 PolarHBondContact O-N 3.36Å; N554-L556 VanDerWaalsContact O-N 3.12Å; N554-I558 WeakPolarHBondContact O-CD1 3.12Å; N554-I558 WeakPolarHBondContact O-CG1 3.38Å | ||
| 555 | T | 37.7 | Very low | 53.1 | Low | 110 Ų | 110 | 93 Ų | 93 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -13 | -176.4 | -21.6 | 0 | 0 | 0 | 0 | 113.9 | F557 | T555-F557 VanDerWaalsContact C-N 3.34Å; T555-F557 PolarHBondContact O-N 3.38Å |
| 556 | L | 40.4 | Very low | 53.9 | Low | 155 Ų | 155 | 85.5 Ų | 85.5 | 81% | 0.812 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.2 | -172.6 | -134.5 | 94.3 | 0 | 0 | 0 | 115.3 | N554 | N554-L556 PolarHBondContact O-N 3.36Å; N554-L556 VanDerWaalsContact O-N 3.12Å |
| 557 | F | 38.7 | Very low | 55 | Low | 134 Ų | 134 | 84.9 Ų | 84.9 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -131.6 | 9.5 | -179.6 | -73.8 | -78.6 | 0 | 0 | 0 | 114.1 | T555 E559 T560 | T555-F557 VanDerWaalsContact C-N 3.34Å; T555-F557 PolarHBondContact O-N 3.38Å; F557-E559 VanDerWaalsContact C-N 3.3Å; F557-T560 PolarHBondContact O-OG1 3.07Å; F557-T560 VanDerWaalsContact O-OG1 3.13Å |
| 558 | I | 40.4 | Very low | 56.4 | Low | 22 Ų | 22 | 83.6 Ų | 83.6 | 11% | 0.113 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -80.1 | -14.5 | 179.5 | -67.3 | 170.9 | 0 | 0 | 0 | 112 | N554 T560 I561 | N554-I558 WeakPolarHBondContact O-CD1 3.12Å; N554-I558 WeakPolarHBondContact O-CG1 3.38Å; I558-T560 PolarHBondContact O-N 3.05Å; I558-I561 HydrophobicContact CG1-CD1 4.41Å; I558-I561 HydrophobicContact CG2-CB 4.47Å; I558-I561 HydrophobicContact CG2-CD1 3.81Å; I558-I561 HydrophobicContact CG2-CG1 4.06Å; I558-I561 WeakPolarHBondContact O-CB 3.44Å; I558-I561 PolarHBondContact O-N 2.93Å |
| 559 | E | 39 | Very low | 58.1 | Low | 189 Ų | 189 | 80 Ų | 80 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -59.9 | -19.1 | 175.2 | -70.9 | -172.1 | 160.2 | 0 | 0 | 113.3 | F557 | F557-E559 VanDerWaalsContact C-N 3.3Š|
| 560 | T | 43.8 | Very low | 60 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 64% | 0.638 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -94.8 | 6.8 | 172.1 | 48.7 | 0 | 0 | 0 | 0 | 114.8 | F557 I558 D562 | F557-T560 PolarHBondContact O-OG1 3.07Å; F557-T560 VanDerWaalsContact O-OG1 3.13Å; I558-T560 PolarHBondContact O-N 3.05Å; T560-D562 PolarHBondContact O-N 3.3Å |
| 561 | I | 49.1 | Very low | 62.2 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -67.5 | 87.6 | 162.3 | -59.8 | -171 | 0 | 0 | 0 | 106.5 | I558 S563 | I558-I561 HydrophobicContact CG1-CD1 4.41Å; I558-I561 HydrophobicContact CG2-CB 4.47Å; I558-I561 HydrophobicContact CG2-CD1 3.81Å; I558-I561 HydrophobicContact CG2-CG1 4.06Å; I558-I561 WeakPolarHBondContact O-CB 3.44Å; I558-I561 PolarHBondContact O-N 2.93Å; I561-S563 PolarHBondContact O-N 2.89Å |
| 562 | D | 56.4 | Low | 64.5 | Low | 39 Ų | 39 | 69.6 Ų | 69.6 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | trans | -31.7 | 118.3 | 177.2 | -175.1 | 25.1 | 0 | 0 | 0 | 111.2 | T560 S564 R599 | T560-D562 PolarHBondContact O-N 3.3Å; D562-S564 PolarHBondContact O-N 3.48Å; D562-S564 PolarHBondContact O-OG 2.92Å; D562-S564 VanDerWaalsContact OD2-CB 3.22Å; D562-S564 WeakPolarHBondContact OD2-CB 3.37Å; D562-S564 PolarHBondContact OD2-OG 2.91Å; D562-R599 VanDerWaalsContact CG-CZ 3.46Å; D562-R599 IonicContact OD1-CZ 2.79Å; D562-R599 VanDerWaalsContact OD1-CZ 3.23Å; D562-R599 IonicContact OD1-NH1 3.23Å; D562-R599 PolarHBondContact OD1-NH1 3.34Å; D562-R599 IonicContact OD1-NH2 3.54Å; D562-R599 PolarHBondContact OD1-NH2 2.6Å; D562-R599 WeakPolarHBondContact OD2-CD 3.46Å; D562-R599 WeakPolarHBondContact OD2-CG 3.26Å; D562-R599 IonicContact OD2-CZ 2.7Å; D562-R599 IonicContact OD2-NE 3.69Å; D562-R599 PolarHBondContact OD2-NE 3.4Å; D562-R599 IonicContact OD2-NH1 3.07Å; D562-R599 PolarHBondContact OD2-NH1 3.18Å | ||
| 563 | S | 63 | Low | 66.8 | Low | 78 Ų | 78 | 68.6 Ų | 68.6 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | trans | -66.5 | 27.5 | 174.6 | 29.5 | 0 | 0 | 0 | 0 | 112.6 | I561 | I561-S563 PolarHBondContact O-N 2.89Š| ||
| 564 | S | 73.9 | Confident | 69.2 | Low | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | trans | -63.5 | 141.8 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | I546 D562 | I546-S564 WeakPolarHBondContact CG1-O 3.32Å; D562-S564 PolarHBondContact O-N 3.48Å; D562-S564 PolarHBondContact O-OG 2.92Å; D562-S564 VanDerWaalsContact OD2-CB 3.22Å; D562-S564 WeakPolarHBondContact OD2-CB 3.37Å; D562-S564 PolarHBondContact OD2-OG 2.91Å | ||
| 565 | P | 87.1 | Confident | 71.5 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | trans | -68.3 | 158.8 | 168.4 | 30.5 | -35.1 | 0 | 0 | 0 | 110.2 | I567 M568 | P565-I567 PolarHBondContact O-N 3.12Å; P565-I567 VanDerWaalsContact O-N 3.11Å; P565-M568 HydrophobicContact CG-CG 4.14Å | ||
| 566 | P | 90.4 | Very high | 73.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -61.6 | -24.8 | -177.5 | -24.3 | 33.1 | 0 | 0 | 0 | 115.3 | L502 S507 V509 L542 P543 L847 | L502-P566 HydrophobicContact CD2-CB 4.13Å; S507-P566 VanDerWaalsContact OG-CA 3.29Å; S507-P566 WeakPolarHBondContact OG-CA 3.37Å; V509-P566 PolarHBondContact N-O 2.75Å; L542-P566 HydrophobicContact CB-CG 4.26Å; L542-P566 HydrophobicContact CD1-CB 4.28Å; P543-P566 HydrophobicContact CG-CG 3.97Å; P543-P566 WeakPolarHBondContact O-CD 3.49Å; P566-L847 HydrophobicContact CB-CD1 4.01Å; P566-L847 HydrophobicContact CG-CD1 4.15Å |
| 567 | I | 93.7 | Very high | 76.3 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.9 | 173.5 | -56.8 | 175.7 | 0 | 0 | 0 | 108.5 | F498 V509 V511 I535 L542 P565 W838 | F498-I567 HydrophobicContact CB-CD1 3.79Å; F498-I567 HydrophobicContact CD1-CD1 3.77Å; F498-I567 HydrophobicContact CD1-CG1 4.32Å; F498-I567 HydrophobicContact CD1-CG2 4.36Å; F498-I567 HydrophobicContact CD2-CD1 4.27Å; F498-I567 HydrophobicContact CE1-CD1 4.43Å; F498-I567 HydrophobicContact CE1-CG2 4.06Å; F498-I567 HydrophobicContact CG-CD1 3.69Å; F498-I567 HydrophobicContact CZ-CG2 4.5Å; V509-I567 WeakPolarHBondContact O-CA 3.15Å; V511-I567 HydrophobicContact CG2-CG2 4.38Å; I535-I567 HydrophobicContact CG2-CG2 3.92Å; L542-I567 HydrophobicContact CD1-CB 4.38Å; L542-I567 HydrophobicContact CD1-CD1 3.54Å; L542-I567 HydrophobicContact CD1-CG1 3.73Å; P565-I567 PolarHBondContact O-N 3.12Å; P565-I567 VanDerWaalsContact O-N 3.11Å; I567-W838 HydrophobicContact CD1-CH2 4.09Å |
| 568 | M | 94.2 | Very high | 78.6 | Confident | 34 Ų | 34 | 44.3 Ų | 44.3 | 17% | 0.167 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.8 | 176.4 | -62.3 | 175.9 | 68.6 | 0 | 0 | 109.9 | P508 V509 I510 V511 P565 | P508-M568 HydrophobicContact CB-CG 4.37Å; P508-M568 HydrophobicContact CB-SD 4.06Å; P508-M568 HydrophobicContact CG-SD 4.3Å; V509-M568 PolarHBondContact O-N 3.29Å; I510-M568 HydrophobicContact CD1-SD 4.38Å; I510-M568 HydrophobicContact CG1-CB 4.35Å; I510-M568 HydrophobicContact CG1-SD 4.13Å; I510-M568 HydrophobicContact CG2-CB 4.46Å; V511-M568 WeakPolarHBondContact CB-O 3.26Å; V511-M568 PolarHBondContact N-O 2.96Å; P565-M568 HydrophobicContact CG-CG 4.14Å |
| 569 | Y | 95.6 | Very high | 80.8 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 20% | 0.204 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.7 | 176.8 | 174.1 | -93.9 | 0 | 0 | 0 | 111.5 | V511 N513 S528 F531 E532 I535 | V511-Y569 HydrophobicContact CB-CD2 4.22Å; V511-Y569 HydrophobicContact CG1-CD2 3.93Å; V511-Y569 HydrophobicContact CG1-CE2 4.44Å; N513-Y569 HydrophobicContact CB-CD2 4.49Å; N513-Y569 HydrophobicContact CB-CE2 3.65Å; N513-Y569 PolarHBondContact ND2-OH 2.79Å; S528-Y569 PolarHBondContact OG-OH 3.48Å; F531-Y569 HydrophobicContact CD1-CE2 4.28Å; E532-Y569 HydrophobicContact CB-CE1 4.13Å; E532-Y569 HydrophobicContact CB-CE2 4.43Å; E532-Y569 HydrophobicContact CG-CD1 4.01Å; E532-Y569 HydrophobicContact CG-CE1 3.58Å; E532-Y569 WeakPolarHBondContact OE2-CE1 3.47Å; E532-Y569 PolarHBondContact OE2-OH 3.18Å; I535-Y569 HydrophobicContact CD1-CD2 3.44Å; I535-Y569 VanDerWaalsContact CD1-CD2 3.44Å; I535-Y569 HydrophobicContact CD1-CE2 4.24Å; I535-Y569 HydrophobicContact CD1-CG 4.1Å |
| 570 | I | 96 | Very high | 83.2 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 21% | 0.205 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 109.3 | 178.5 | -57 | 177.3 | 0 | 0 | 0 | 108.3 | I510 V511 L512 N513 I592 C596 | I510-I570 HydrophobicContact CG2-CD1 3.75Å; I510-I570 HydrophobicContact CG2-CG1 4.34Å; V511-I570 PolarHBondContact O-N 2.91Å; L512-I570 HydrophobicContact CD1-CB 4.29Å; L512-I570 HydrophobicContact CD1-CG2 3.99Å; N513-I570 PolarHBondContact N-O 3.09Å; I570-I592 HydrophobicContact CD1-CG2 4.17Å; I570-I592 HydrophobicContact CG2-CG2 3.91Å; I570-C596 VanDerWaalsContact CD1-SG 3.51Å |
| 571 | G | 93.9 | Very high | 84.9 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 572 | F | 95 | Very high | 86.5 | Confident | 21 Ų | 21 | 60 Ų | 60 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | trans | -127.5 | 99.6 | 177.1 | -176.1 | -97.5 | 0 | 0 | 0 | 110.8 | L512 N513 L514 I574 V577 V585 K588 L589 I592 | L512-F572 HydrophobicContact CD1-CB 4.17Å; N513-F572 PolarHBondContact O-N 3.09Å; L514-F572 WeakPolarHBondContact CA-O 3.39Å; L514-F572 HydrophobicContact CD2-CB 4.25Å; L514-F572 HydrophobicContact CD2-CD1 4.01Å; F572-I574 VanDerWaalsContact C-N 3.25Å; F572-I574 HydrophobicContact CD1-CB 3.95Å; F572-I574 HydrophobicContact CE1-CB 3.94Å; F572-I574 HydrophobicContact CE1-CG1 4.09Å; F572-I574 PolarHBondContact O-N 3.05Å; F572-V577 HydrophobicContact CE1-CG2 4.38Å; F572-V577 HydrophobicContact CE2-CG2 4.11Å; F572-V577 HydrophobicContact CZ-CB 4.3Å; F572-V577 HydrophobicContact CZ-CG1 4.35Å; F572-V577 HydrophobicContact CZ-CG2 3.82Å; F572-V585 HydrophobicContact CE1-CG1 4.34Å; F572-K588 HydrophobicContact CE2-CB 4.33Å; F572-K588 HydrophobicContact CZ-CB 4.26Å; F572-L589 HydrophobicContact CD1-CD1 4Å; F572-L589 HydrophobicContact CD2-CD1 4.42Å; F572-L589 HydrophobicContact CE1-CB 4.28Å; F572-L589 HydrophobicContact CE1-CD1 4.09Å; F572-L589 HydrophobicContact CG-CD1 4.17Å; F572-L589 HydrophobicContact CZ-CB 4.12Å; F572-L589 HydrophobicContact CZ-CD1 4.34Å; F572-I592 HydrophobicContact CD2-CD1 3.65Å; F572-I592 HydrophobicContact CE2-CD1 3.96Å | ||
| 573 | D | 92.6 | Very high | 87.9 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | trans | -71.7 | 80.9 | 177.8 | -170.9 | -20.2 | 0 | 0 | 0 | 110.9 | K516 K517 A575 R576 V577 | K516-D573 WeakPolarHBondContact CA-OD2 3.44Å; K517-D573 PolarHBondContact N-OD2 2.94Å; D573-A575 PolarHBondContact O-N 2.96Å; D573-A575 PolarHBondContact OD1-N 3.25Å; D573-R576 HydrophobicContact CB-CB 3.98Å; D573-R576 VanDerWaalsContact CG-CB 3.44Å; D573-R576 WeakPolarHBondContact O-CB 3.38Å; D573-R576 PolarHBondContact O-N 2.81Å; D573-R576 VanDerWaalsContact O-N 3.13Å; D573-R576 WeakPolarHBondContact OD1-CB 3.18Å; D573-R576 PolarHBondContact OD1-N 2.85Å; D573-V577 PolarHBondContact O-N 3.39Å; D573-V577 VanDerWaalsContact O-N 3.09Å | ||
| 574 | I | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -31.9 | -178.4 | -168.9 | 170.2 | 0 | 0 | 0 | 112.2 | L514 F572 V577 Q578 V585 R643 Y708 | L514-I574 HydrophobicContact CB-CG2 4.04Å; F572-I574 VanDerWaalsContact C-N 3.25Å; F572-I574 HydrophobicContact CD1-CB 3.95Å; F572-I574 HydrophobicContact CE1-CB 3.94Å; F572-I574 HydrophobicContact CE1-CG1 4.09Å; F572-I574 PolarHBondContact O-N 3.05Å; I574-V577 PolarHBondContact O-N 3.27Å; I574-Q578 VanDerWaalsContact O-CB 3.27Å; I574-Q578 WeakPolarHBondContact O-CB 3.41Å; I574-Q578 PolarHBondContact O-N 3.04Å; I574-V585 HydrophobicContact CD1-CG1 3.77Å; I574-V585 HydrophobicContact CG1-CG1 3.54Å; I574-V585 HydrophobicContact CG1-CG2 4.32Å; I574-R643 HydrophobicContact CD1-CB 4.38Å; I574-R643 HydrophobicContact CG2-CB 3.93Å; I574-R643 HydrophobicContact CG2-CG 3.61Å; I574-Y708 HydrophobicContact CD1-CD1 4.22Å; I574-Y708 HydrophobicContact CD1-CE1 4.09Å; I574-Y708 HydrophobicContact CG1-CD1 4.33Å; I574-Y708 HydrophobicContact CG1-CE1 4.22Å |
| 575 | A | 87.7 | Confident | 89.8 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73 | -35 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | K516 D573 K579 | K516-A575 HydrophobicContact CD-CB 4.31Å; K516-A575 HydrophobicContact CG-CB 3.74Å; D573-A575 PolarHBondContact O-N 2.96Å; D573-A575 PolarHBondContact OD1-N 3.25Å; A575-K579 WeakPolarHBondContact O-CG 3.08Å; A575-K579 PolarHBondContact O-N 3.2Å |
| 576 | R | 89.3 | Confident | 90 | Very high | 112 Ų | 112 | 55.2 Ų | 55.2 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 170.4 | -180 | -175.8 | 174.2 | -165.9 | -4.5 | 110.9 | D573 Q578 K579 M580 | D573-R576 HydrophobicContact CB-CB 3.98Å; D573-R576 VanDerWaalsContact CG-CB 3.44Å; D573-R576 WeakPolarHBondContact O-CB 3.38Å; D573-R576 PolarHBondContact O-N 2.81Å; D573-R576 VanDerWaalsContact O-N 3.13Å; D573-R576 WeakPolarHBondContact OD1-CB 3.18Å; D573-R576 PolarHBondContact OD1-N 2.85Å; R576-Q578 VanDerWaalsContact C-N 3.28Å; R576-Q578 PolarHBondContact O-N 3.13Å; R576-K579 PolarHBondContact O-N 3.19Å; R576-K579 VanDerWaalsContact O-N 3.1Å; R576-M580 HydrophobicContact CG-CE 4.26Å; R576-M580 PolarHBondContact O-N 2.8Å |
| 577 | V | 89.7 | Confident | 90 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 179.5 | -179 | 0 | 0 | 0 | 0 | 110.8 | F572 D573 I574 K579 M580 T583 V585 K588 | F572-V577 HydrophobicContact CE1-CG2 4.38Å; F572-V577 HydrophobicContact CE2-CG2 4.11Å; F572-V577 HydrophobicContact CZ-CB 4.3Å; F572-V577 HydrophobicContact CZ-CG1 4.35Å; F572-V577 HydrophobicContact CZ-CG2 3.82Å; D573-V577 PolarHBondContact O-N 3.39Å; D573-V577 VanDerWaalsContact O-N 3.09Å; I574-V577 PolarHBondContact O-N 3.27Å; V577-K579 VanDerWaalsContact C-N 3.26Å; V577-K579 PolarHBondContact O-N 2.91Å; V577-M580 WeakPolarHBondContact O-CB 3.13Å; V577-M580 PolarHBondContact O-N 2.84Å; V577-T583 HydrophobicContact CG1-CG2 4Å; V577-V585 HydrophobicContact CB-CG2 4.16Å; V577-V585 HydrophobicContact CG1-CB 4.46Å; V577-V585 HydrophobicContact CG1-CG2 3.86Å; V577-K588 HydrophobicContact CG1-CB 4.33Å; V577-K588 HydrophobicContact CG1-CG 4.34Å |
| 578 | Q | 87.1 | Confident | 90 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 19% | 0.187 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 176.3 | -177.4 | 61.5 | 19.6 | 0 | 0 | 113.4 | I574 R576 V585 T707 Y708 | I574-Q578 VanDerWaalsContact O-CB 3.27Å; I574-Q578 WeakPolarHBondContact O-CB 3.41Å; I574-Q578 PolarHBondContact O-N 3.04Å; R576-Q578 VanDerWaalsContact C-N 3.28Å; R576-Q578 PolarHBondContact O-N 3.13Å; Q578-V585 HydrophobicContact CB-CG2 3.97Å; Q578-V585 VanDerWaalsContact OE1-CG2 3.24Å; Q578-T707 PolarHBondContact NE2-O 3.42Å; Q578-Y708 HydrophobicContact CG-CD1 4.46Å |
| 579 | K | 87.3 | Confident | 90 | Very high | 171 Ų | 171 | 63.1 Ų | 63.1 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -76 | -21.2 | 179.3 | -73.9 | 175.1 | -179.8 | -178.8 | 0 | 113.5 | A575 R576 V577 K581 | A575-K579 WeakPolarHBondContact O-CG 3.08Å; A575-K579 PolarHBondContact O-N 3.2Å; R576-K579 PolarHBondContact O-N 3.19Å; R576-K579 VanDerWaalsContact O-N 3.1Å; V577-K579 VanDerWaalsContact C-N 3.26Å; V577-K579 PolarHBondContact O-N 2.91Å; K579-K581 PolarHBondContact O-N 2.5Å |
| 580 | M | 88.7 | Confident | 89.9 | Confident | 74 Ų | 74 | 63 Ų | 63 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -67.5 | 123.6 | 179.3 | -66 | 173.7 | 169.2 | 0 | 0 | 109.7 | R576 V577 R582 K710 | R576-M580 HydrophobicContact CG-CE 4.26Å; R576-M580 PolarHBondContact O-N 2.8Å; V577-M580 WeakPolarHBondContact O-CB 3.13Å; V577-M580 PolarHBondContact O-N 2.84Å; M580-R582 PolarHBondContact O-N 2.78Å; M580-K710 PolarHBondContact O-NZ 2.84Å |
| 581 | K | 80 | Confident | 89.8 | Confident | 197 Ų | 197 | 64.4 Ų | 64.4 | 86% | 0.857 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -46.9 | -170 | -70.7 | -178.4 | -179.2 | 175.2 | 0 | 113.9 | K579 K710 | K579-K581 PolarHBondContact O-N 2.5Å; K581-K710 PolarHBondContact O-NZ 3.25Å |
| 582 | R | 82.9 | Confident | 89.8 | Confident | 250 Ų | 250 | 64.8 Ų | 64.8 | 94% | 0.943 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -1.4 | -172.9 | -66.5 | -178.6 | 177.6 | 148.4 | -1 | 115.3 | M580 | M580-R582 PolarHBondContact O-N 2.78Š|
| 583 | T | 86.1 | Confident | 89.9 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 20% | 0.202 | 30% | 0.295 | C | S | . | . | trans | -105.6 | 130.9 | -173.7 | -48.3 | 0 | 0 | 0 | 0 | 111.4 | V577 K588 K710 | V577-T583 HydrophobicContact CG1-CG2 4Å; T583-K588 HydrophobicContact CG2-CD 4.18Å; T583-K588 HydrophobicContact CG2-CG 3.35Å; T583-K710 VanDerWaalsContact O-CE 3.31Å; T583-K710 WeakPolarHBondContact O-CE 3.43Å; T583-K710 PolarHBondContact O-NZ 2.97Å | ||
| 584 | V | 87.7 | Confident | 89.9 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | trans | -92.3 | 131.2 | 170.8 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | L586 N587 K588 | V584-L586 VanDerWaalsContact C-N 3.31Å; V584-L586 HydrophobicContact CG1-CB 4.2Å; V584-L586 PolarHBondContact O-N 3.05Å; V584-N587 HydrophobicContact CB-CB 4.37Å; V584-N587 PolarHBondContact O-N 2.96Å; V584-K588 PolarHBondContact O-N 2.83Å | ||
| 585 | V | 89.1 | Confident | 89.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | -177.6 | 165.3 | 0 | 0 | 0 | 0 | 111.4 | F572 I574 V577 Q578 N587 K588 L589 Y708 | F572-V585 HydrophobicContact CE1-CG1 4.34Å; I574-V585 HydrophobicContact CD1-CG1 3.77Å; I574-V585 HydrophobicContact CG1-CG1 3.54Å; I574-V585 HydrophobicContact CG1-CG2 4.32Å; V577-V585 HydrophobicContact CB-CG2 4.16Å; V577-V585 HydrophobicContact CG1-CB 4.46Å; V577-V585 HydrophobicContact CG1-CG2 3.86Å; Q578-V585 HydrophobicContact CB-CG2 3.97Å; Q578-V585 VanDerWaalsContact OE1-CG2 3.24Å; V585-N587 VanDerWaalsContact C-N 3.33Å; V585-N587 PolarHBondContact O-N 2.55Å; V585-K588 PolarHBondContact O-N 3.18Å; V585-L589 WeakPolarHBondContact O-CB 3.22Å; V585-L589 PolarHBondContact O-N 2.87Å; V585-Y708 HydrophobicContact CG2-CD1 4.37Å |
| 586 | L | 90 | Very high | 90 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.5 | -47.4 | -178.7 | -77.6 | 61.2 | 0 | 0 | 0 | 110.8 | V584 K588 L589 Q590 T646 F649 V650 R709 | V584-L586 VanDerWaalsContact C-N 3.31Å; V584-L586 HydrophobicContact CG1-CB 4.2Å; V584-L586 PolarHBondContact O-N 3.05Å; L586-K588 VanDerWaalsContact C-N 3.28Å; L586-K588 PolarHBondContact O-N 3.43Å; L586-L589 PolarHBondContact O-N 3.06Å; L586-L589 VanDerWaalsContact O-N 3.12Å; L586-Q590 WeakPolarHBondContact O-CB 3.2Å; L586-Q590 PolarHBondContact O-N 2.86Å; L586-T646 HydrophobicContact CD1-CG2 4.19Å; L586-F649 HydrophobicContact CD2-CD1 4.46Å; L586-F649 HydrophobicContact CD2-CE1 3.9Å; L586-V650 HydrophobicContact CB-CG2 4.29Å; L586-V650 HydrophobicContact CG-CG2 3.78Å; L586-R709 HydrophobicContact CD2-CB 4.44Å |
| 587 | N | 90.8 | Very high | 90.1 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.2 | -30.1 | -177.2 | -58.2 | 17 | 0 | 0 | 0 | 112.7 | V584 V585 P591 | V584-N587 HydrophobicContact CB-CB 4.37Å; V584-N587 PolarHBondContact O-N 2.96Å; V585-N587 VanDerWaalsContact C-N 3.33Å; V585-N587 PolarHBondContact O-N 2.55Å; N587-P591 VanDerWaalsContact O-CD 3.25Å; N587-P591 WeakPolarHBondContact O-CD 3.4Å |
| 588 | K | 93.2 | Very high | 89.9 | Confident | 121 Ų | 121 | 66.2 Ų | 66.2 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -81.9 | -29.6 | 174.7 | -72.1 | -61.8 | -174.7 | -177.9 | 0 | 113.1 | F572 V577 T583 V584 V585 L586 | F572-K588 HydrophobicContact CE2-CB 4.33Å; F572-K588 HydrophobicContact CZ-CB 4.26Å; V577-K588 HydrophobicContact CG1-CB 4.33Å; V577-K588 HydrophobicContact CG1-CG 4.34Å; T583-K588 HydrophobicContact CG2-CD 4.18Å; T583-K588 HydrophobicContact CG2-CG 3.35Å; V584-K588 PolarHBondContact O-N 2.83Å; V585-K588 PolarHBondContact O-N 3.18Å; L586-K588 VanDerWaalsContact C-N 3.28Å; L586-K588 PolarHBondContact O-N 3.43Å |
| 589 | L | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81.1 | -35 | -179.5 | -172.6 | 56.8 | 0 | 0 | 0 | 111.9 | L512 F572 V585 L586 I592 I593 A647 V650 | L512-L589 HydrophobicContact CD1-CD1 4.42Å; L512-L589 HydrophobicContact CD2-CD1 4.33Å; F572-L589 HydrophobicContact CD1-CD1 4Å; F572-L589 HydrophobicContact CD2-CD1 4.42Å; F572-L589 HydrophobicContact CE1-CB 4.28Å; F572-L589 HydrophobicContact CE1-CD1 4.09Å; F572-L589 HydrophobicContact CG-CD1 4.17Å; F572-L589 HydrophobicContact CZ-CB 4.12Å; F572-L589 HydrophobicContact CZ-CD1 4.34Å; V585-L589 WeakPolarHBondContact O-CB 3.22Å; V585-L589 PolarHBondContact O-N 2.87Å; L586-L589 PolarHBondContact O-N 3.06Å; L586-L589 VanDerWaalsContact O-N 3.12Å; L589-I592 WeakPolarHBondContact O-CB 3.39Å; L589-I592 PolarHBondContact O-N 3.07Å; L589-I592 VanDerWaalsContact O-N 3.08Å; L589-I593 HydrophobicContact CD1-CD1 4.22Å; L589-I593 HydrophobicContact CD1-CG1 4.06Å; L589-I593 HydrophobicContact CG-CD1 4.4Å; L589-I593 HydrophobicContact CG-CG1 3.82Å; L589-I593 WeakPolarHBondContact O-CG1 3.49Å; L589-I593 PolarHBondContact O-N 3.28Å; L589-A647 HydrophobicContact CD2-CB 3.89Å; L589-V650 HydrophobicContact CB-CG1 4.3Å; L589-V650 HydrophobicContact CD2-CB 4.13Å; L589-V650 HydrophobicContact CD2-CG1 4.33Å; L589-V650 HydrophobicContact CD2-CG2 4.15Å; L589-V650 HydrophobicContact CG-CB 4.45Å; L589-V650 HydrophobicContact CG-CG1 4.11Å |
| 590 | Q | 94.1 | Very high | 90 | Very high | 49 Ų | 49 | 61 Ų | 61 | 23% | 0.229 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -50.1 | -51.4 | -178.7 | -175.5 | 167.6 | -13.3 | 0 | 0 | 114.5 | L586 I592 I593 D594 V650 V654 | L586-Q590 WeakPolarHBondContact O-CB 3.2Å; L586-Q590 PolarHBondContact O-N 2.86Å; Q590-I592 VanDerWaalsContact C-N 3.29Å; Q590-I592 PolarHBondContact O-N 3.04Å; Q590-I593 PolarHBondContact O-N 3.42Å; Q590-D594 WeakPolarHBondContact O-CB 3.38Å; Q590-D594 PolarHBondContact O-N 3.08Å; Q590-V650 HydrophobicContact CB-CG1 4.44Å; Q590-V654 HydrophobicContact CG-CG2 3.93Å |
| 591 | P | 93.5 | Very high | 89.9 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.2 | -29.3 | 179.4 | 25.5 | -35.4 | 0 | 0 | 0 | 113.5 | N587 N595 | N587-P591 VanDerWaalsContact O-CD 3.25Å; N587-P591 WeakPolarHBondContact O-CD 3.4Å; P591-N595 PolarHBondContact O-N 3.01Å; P591-N595 PolarHBondContact O-ND2 3.43Å |
| 592 | I | 95.1 | Very high | 90.3 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.3 | -48.3 | 174.8 | -59.8 | 173.8 | 0 | 0 | 0 | 109.1 | I570 F572 L589 Q590 D594 N595 C596 | I570-I592 HydrophobicContact CD1-CG2 4.17Å; I570-I592 HydrophobicContact CG2-CG2 3.91Å; F572-I592 HydrophobicContact CD2-CD1 3.65Å; F572-I592 HydrophobicContact CE2-CD1 3.96Å; L589-I592 WeakPolarHBondContact O-CB 3.39Å; L589-I592 PolarHBondContact O-N 3.07Å; L589-I592 VanDerWaalsContact O-N 3.08Å; Q590-I592 VanDerWaalsContact C-N 3.29Å; Q590-I592 PolarHBondContact O-N 3.04Å; I592-D594 VanDerWaalsContact C-N 3.35Å; I592-D594 PolarHBondContact O-N 2.85Å; I592-N595 WeakPolarHBondContact O-CB 3.27Å; I592-N595 PolarHBondContact O-N 3.42Å; I592-C596 PolarHBondContact O-N 2.88Å; I592-C596 PolarHBondContact O-SG 2.95Å |
| 593 | I | 96.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 179.3 | -68 | -50.9 | 0 | 0 | 0 | 111.8 | L512 L589 Q590 N595 C596 V597 V650 I651 V654 | L512-I593 HydrophobicContact CD2-CD1 3.63Å; L589-I593 HydrophobicContact CD1-CD1 4.22Å; L589-I593 HydrophobicContact CD1-CG1 4.06Å; L589-I593 HydrophobicContact CG-CD1 4.4Å; L589-I593 HydrophobicContact CG-CG1 3.82Å; L589-I593 WeakPolarHBondContact O-CG1 3.49Å; L589-I593 PolarHBondContact O-N 3.28Å; Q590-I593 PolarHBondContact O-N 3.42Å; I593-N595 VanDerWaalsContact C-N 3.33Å; I593-N595 PolarHBondContact O-N 2.84Å; I593-C596 CarbonylContact O-C 3.58Å; I593-C596 WeakPolarHBondContact O-CA 3.34Å; I593-C596 WeakPolarHBondContact O-CB 3.23Å; I593-C596 PolarHBondContact O-N 2.95Å; I593-V597 HydrophobicContact CG2-CG2 4.07Å; I593-V597 WeakPolarHBondContact O-CG2 3.45Å; I593-V597 PolarHBondContact O-N 3.49Å; I593-V650 HydrophobicContact CB-CG1 4.37Å; I593-V650 HydrophobicContact CG1-CG1 3.99Å; I593-I651 HydrophobicContact CD1-CD1 4.12Å; I593-I651 HydrophobicContact CD1-CG1 3.56Å; I593-I651 HydrophobicContact CG1-CG1 4.08Å; I593-I651 HydrophobicContact CG2-CB 4.26Å; I593-I651 HydrophobicContact CG2-CG1 3.85Å; I593-V654 HydrophobicContact CB-CG2 4.42Å; I593-V654 HydrophobicContact CG2-CB 3.91Å; I593-V654 HydrophobicContact CG2-CG1 4.27Å; I593-V654 HydrophobicContact CG2-CG2 3.83Å |
| 594 | D | 92.3 | Very high | 90.7 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.4 | -49.4 | 174.8 | -174.9 | 81.8 | 0 | 0 | 0 | 111.5 | Q590 I592 C596 V597 R598 V654 Y658 | Q590-D594 WeakPolarHBondContact O-CB 3.38Å; Q590-D594 PolarHBondContact O-N 3.08Å; I592-D594 VanDerWaalsContact C-N 3.35Å; I592-D594 PolarHBondContact O-N 2.85Å; D594-C596 VanDerWaalsContact C-N 3.33Å; D594-C596 PolarHBondContact O-N 2.87Å; D594-V597 PolarHBondContact O-N 2.97Å; D594-R598 WeakPolarHBondContact O-CB 3.43Å; D594-R598 WeakPolarHBondContact O-CG 3.42Å; D594-R598 PolarHBondContact O-N 3.06Å; D594-R598 IonicContact OD2-CZ 2.72Å; D594-R598 IonicContact OD2-NE 2.85Å; D594-R598 PolarHBondContact OD2-NE 3.49Å; D594-R598 IonicContact OD2-NH2 3.45Å; D594-R598 PolarHBondContact OD2-NH2 3.09Å; D594-V654 HydrophobicContact CB-CG1 4.35Å; D594-Y658 WeakPolarHBondContact OD1-CE2 3.42Å; D594-Y658 PolarHBondContact OD1-OH 3.49Å |
| 595 | N | 90.2 | Very high | 90.4 | Very high | 67 Ų | 67 | 36.2 Ų | 36.2 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 173 | -74.7 | -58.6 | 0 | 0 | 0 | 112.4 | P591 I592 I593 R598 R599 | P591-N595 PolarHBondContact O-N 3.01Å; P591-N595 PolarHBondContact O-ND2 3.43Å; I592-N595 WeakPolarHBondContact O-CB 3.27Å; I592-N595 PolarHBondContact O-N 3.42Å; I593-N595 VanDerWaalsContact C-N 3.33Å; I593-N595 PolarHBondContact O-N 2.84Å; N595-R598 VanDerWaalsContact OD1-CZ 3.32Å; N595-R598 PolarHBondContact OD1-NH1 3.04Å; N595-R598 PolarHBondContact OD1-NH2 3.42Å; N595-R599 VanDerWaalsContact O-CG 3.25Å; N595-R599 WeakPolarHBondContact O-CG 3.34Å; N595-R599 PolarHBondContact O-N 3.48Å |
| 596 | C | 92.9 | Very high | 89.4 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 178.7 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | I510 I570 I592 I593 D594 R598 R599 T600 I633 | I510-C596 HydrophobicContact CD1-CB 3.86Å; I570-C596 VanDerWaalsContact CD1-SG 3.51Å; I592-C596 PolarHBondContact O-N 2.88Å; I592-C596 PolarHBondContact O-SG 2.95Å; I593-C596 CarbonylContact O-C 3.58Å; I593-C596 WeakPolarHBondContact O-CA 3.34Å; I593-C596 WeakPolarHBondContact O-CB 3.23Å; I593-C596 PolarHBondContact O-N 2.95Å; D594-C596 VanDerWaalsContact C-N 3.33Å; D594-C596 PolarHBondContact O-N 2.87Å; C596-R598 VanDerWaalsContact C-N 3.28Å; C596-R598 PolarHBondContact O-N 3.11Å; C596-R599 PolarHBondContact O-N 3.07Å; C596-R599 VanDerWaalsContact O-N 3.13Å; C596-T600 PolarHBondContact O-N 3.1Å; C596-T600 PolarHBondContact O-OG1 3.35Å; C596-I633 HydrophobicContact CB-CD1 3.52Å; C596-I633 HydrophobicContact CB-CG1 4.01Å |
| 597 | V | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 179.5 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | Y457 I593 D594 R599 T600 G601 I602 I633 V654 V655 Y658 | Y457-V597 HydrophobicContact CE2-CG1 4.48Å; I593-V597 HydrophobicContact CG2-CG2 4.07Å; I593-V597 WeakPolarHBondContact O-CG2 3.45Å; I593-V597 PolarHBondContact O-N 3.49Å; D594-V597 PolarHBondContact O-N 2.97Å; V597-R599 VanDerWaalsContact C-N 3.26Å; V597-R599 PolarHBondContact O-N 2.89Å; V597-T600 PolarHBondContact O-N 3.34Å; V597-T600 PolarHBondContact O-OG1 3.04Å; V597-G601 PolarHBondContact O-N 3.44Å; V597-I602 HydrophobicContact CG1-CD1 3.82Å; V597-I602 HydrophobicContact CG1-CG1 4.02Å; V597-I633 HydrophobicContact CG2-CD1 4.11Å; V597-V654 HydrophobicContact CB-CG1 4.34Å; V597-V654 HydrophobicContact CG2-CG1 4.1Å; V597-V655 HydrophobicContact CG1-CG2 4.1Å; V597-V655 HydrophobicContact CG2-CG2 3.74Å; V597-Y658 HydrophobicContact CG1-CD2 4.11Å; V597-Y658 HydrophobicContact CG1-CE2 4.42Å |
| 598 | R | 86.4 | Confident | 85.8 | Confident | 109 Ų | 109 | 38.6 Ų | 38.6 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.9 | -36.3 | 176.3 | -74.1 | -168.4 | -91.2 | 122.3 | -0.4 | 113.5 | D594 N595 C596 F625 | D594-R598 WeakPolarHBondContact O-CB 3.43Å; D594-R598 WeakPolarHBondContact O-CG 3.42Å; D594-R598 PolarHBondContact O-N 3.06Å; D594-R598 IonicContact OD2-CZ 2.72Å; D594-R598 IonicContact OD2-NE 2.85Å; D594-R598 PolarHBondContact OD2-NE 3.49Å; D594-R598 IonicContact OD2-NH2 3.45Å; D594-R598 PolarHBondContact OD2-NH2 3.09Å; N595-R598 VanDerWaalsContact OD1-CZ 3.32Å; N595-R598 PolarHBondContact OD1-NH1 3.04Å; N595-R598 PolarHBondContact OD1-NH2 3.42Å; C596-R598 VanDerWaalsContact C-N 3.28Å; C596-R598 PolarHBondContact O-N 3.11Å; R598-F625 HydrophobicContact CB-CE1 3.8Å; R598-F625 HydrophobicContact CB-CZ 4.26Å; R598-F625 HydrophobicContact CG-CE1 3.62Å; R598-F625 HydrophobicContact CG-CZ 3.68Å |
| 599 | R | 85.9 | Confident | 83.2 | Confident | 100 Ų | 100 | 38.8 Ų | 38.8 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.7 | -35.1 | 179 | -64.8 | 174.4 | -179.2 | -108.7 | -11.9 | 113.1 | P508 I510 D562 N595 C596 V597 | P508-R599 HydrophobicContact CG-CB 4.2Å; I510-R599 HydrophobicContact CD1-CB 4.19Å; D562-R599 VanDerWaalsContact CG-CZ 3.46Å; D562-R599 IonicContact OD1-CZ 2.79Å; D562-R599 VanDerWaalsContact OD1-CZ 3.23Å; D562-R599 IonicContact OD1-NH1 3.23Å; D562-R599 PolarHBondContact OD1-NH1 3.34Å; D562-R599 IonicContact OD1-NH2 3.54Å; D562-R599 PolarHBondContact OD1-NH2 2.6Å; D562-R599 WeakPolarHBondContact OD2-CD 3.46Å; D562-R599 WeakPolarHBondContact OD2-CG 3.26Å; D562-R599 IonicContact OD2-CZ 2.7Å; D562-R599 IonicContact OD2-NE 3.69Å; D562-R599 PolarHBondContact OD2-NE 3.4Å; D562-R599 IonicContact OD2-NH1 3.07Å; D562-R599 PolarHBondContact OD2-NH1 3.18Å; N595-R599 VanDerWaalsContact O-CG 3.25Å; N595-R599 WeakPolarHBondContact O-CG 3.34Å; N595-R599 PolarHBondContact O-N 3.48Å; C596-R599 PolarHBondContact O-N 3.07Å; C596-R599 VanDerWaalsContact O-N 3.13Å; V597-R599 VanDerWaalsContact C-N 3.26Å; V597-R599 PolarHBondContact O-N 2.89Å |
| 600 | T | 89.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -79.5 | -24.4 | -179.9 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | Y457 I510 C596 V597 Q629 C630 G631 I633 | Y457-T600 WeakPolarHBondContact CE2-OG1 3.23Å; Y457-T600 PolarHBondContact OH-OG1 2.96Å; I510-T600 HydrophobicContact CD1-CG2 3.88Å; I510-T600 HydrophobicContact CG1-CG2 4.43Å; C596-T600 PolarHBondContact O-N 3.1Å; C596-T600 PolarHBondContact O-OG1 3.35Å; V597-T600 PolarHBondContact O-N 3.34Å; V597-T600 PolarHBondContact O-OG1 3.04Å; T600-Q629 WeakPolarHBondContact O-CA 3.43Å; T600-C630 PolarHBondContact O-N 3.25Å; T600-G631 PolarHBondContact O-N 3.18Å; T600-I633 HydrophobicContact CG2-CG1 4.19Å |
| 601 | G | 86.6 | Confident | 77.6 | Confident | 6 Ų | 6 | 47 Ų | 47 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | trans | 72.3 | 173.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y457 V597 | Y457-G601 VanDerWaalsContact CE2-O 3.29Å; Y457-G601 WeakPolarHBondContact CE2-O 3.4Å; V597-G601 PolarHBondContact O-N 3.44Å | ||
| 602 | I | 89.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -133.6 | 141.1 | 179.2 | -59 | 176.2 | 0 | 0 | 0 | 108 | S455 Y457 V597 F604 F625 S627 Y658 Q659 | S455-I602 WeakPolarHBondContact OG-CG2 3.48Å; Y457-I602 HydrophobicContact CD2-CB 4.46Å; Y457-I602 HydrophobicContact CD2-CG1 3.86Å; Y457-I602 HydrophobicContact CE2-CG1 4.3Å; V597-I602 HydrophobicContact CG1-CD1 3.82Å; V597-I602 HydrophobicContact CG1-CG1 4.02Å; I602-F604 HydrophobicContact CB-CD2 4.31Å; I602-F604 HydrophobicContact CB-CE2 3.73Å; I602-F604 HydrophobicContact CB-CZ 4.39Å; I602-F604 HydrophobicContact CG2-CD2 4.19Å; I602-F604 HydrophobicContact CG2-CE2 3.65Å; I602-F604 HydrophobicContact CG2-CZ 3.93Å; I602-F625 HydrophobicContact CD1-CD2 4.36Å; I602-F625 HydrophobicContact CD1-CE2 4Å; I602-F625 HydrophobicContact CG1-CD2 4.41Å; I602-F625 HydrophobicContact CG1-CE2 4.37Å; I602-S627 CarbonylContact O-C 3.49Å; I602-Y658 VanDerWaalsContact CD1-CB 3.41Å; I602-Y658 HydrophobicContact CD1-CD2 4.46Å; I602-Y658 HydrophobicContact CD1-CG 4.13Å; I602-Q659 HydrophobicContact CG2-CG 4.17Å | ||
| 603 | Y | 89.8 | Confident | 72.7 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.4 | 175.6 | 179.7 | -112.7 | 0 | 0 | 0 | 111.1 | L324 Q325 M328 S455 S456 S605 S627 K628 | L324-Y603 HydrophobicContact CD2-CD1 4.39Å; L324-Y603 HydrophobicContact CD2-CE1 4.32Å; L324-Y603 HydrophobicContact CG-CE1 4.27Å; Q325-Y603 HydrophobicContact CB-CD1 4.05Å; Q325-Y603 HydrophobicContact CB-CD2 3.81Å; Q325-Y603 HydrophobicContact CB-CE1 4.4Å; Q325-Y603 HydrophobicContact CB-CE2 4.19Å; Q325-Y603 HydrophobicContact CB-CG 3.73Å; Q325-Y603 HydrophobicContact CG-CD2 3.56Å; Q325-Y603 HydrophobicContact CG-CE2 3.86Å; Q325-Y603 HydrophobicContact CG-CG 4.02Å; M328-Y603 HydrophobicContact CB-CE1 4.32Å; M328-Y603 WeakPolarHBondContact CB-OH 3.26Å; M328-Y603 HydrophobicContact CG-CE1 4.4Å; S455-Y603 WeakPolarHBondContact CA-O 3.35Å; S455-Y603 WeakPolarHBondContact CB-O 3.27Å; S455-Y603 PolarHBondContact OG-O 3.37Å; S456-Y603 PolarHBondContact N-O 3.25Å; S456-Y603 WeakPolarHBondContact O-CB 3.28Å; S456-Y603 PolarHBondContact O-N 3.49Å; Y603-S605 WeakPolarHBondContact OH-CB 3.21Å; Y603-S627 WeakPolarHBondContact CA-O 3.44Å; Y603-S627 WeakPolarHBondContact CD2-O 3.38Å; Y603-K628 HydrophobicContact CD2-CG 4.47Å |
| 604 | F | 86.5 | Confident | 70.4 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.2 | 171.4 | -70.3 | -83.3 | 0 | 0 | 0 | 110.1 | S455 I602 S627 L663 | S455-F604 WeakPolarHBondContact OG-CE1 3.14Å; I602-F604 HydrophobicContact CB-CD2 4.31Å; I602-F604 HydrophobicContact CB-CE2 3.73Å; I602-F604 HydrophobicContact CB-CZ 4.39Å; I602-F604 HydrophobicContact CG2-CD2 4.19Å; I602-F604 HydrophobicContact CG2-CE2 3.65Å; I602-F604 HydrophobicContact CG2-CZ 3.93Å; F604-S627 PolarHBondContact N-O 3.38Å; F604-L663 HydrophobicContact CE1-CG 4.47Å |
| 605 | S | 81.1 | Confident | 68.3 | Low | 30 Ų | 30 | 57.4 Ų | 57.4 | 21% | 0.21 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.2 | 170 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | V454 Y603 | V454-S605 PolarHBondContact N-O 2.93Å; V454-S605 PolarHBondContact O-N 2.98Å; Y603-S605 WeakPolarHBondContact OH-CB 3.21Å |
| 606 | S | 69.3 | Low | 66.3 | Low | 55 Ų | 55 | 55.8 Ų | 55.8 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 110.5 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 108 | ||
| 607 | S | 57.4 | Low | 64.2 | Low | 68 Ų | 68 | 61.1 Ų | 61.1 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | trans | -99.9 | 9.3 | 174.8 | -153.4 | 0 | 0 | 0 | 0 | 111.9 | R450 S609 | R450-S607 WeakPolarHBondContact O-CB 3.3Å; R450-S607 PolarHBondContact O-OG 3.1Å; S607-S609 PolarHBondContact O-N 2.96Å | ||
| 608 | A | 47.3 | Very low | 62.3 | Low | 13 Ų | 13 | 66.4 Ų | 66.4 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | trans | -63.9 | 102.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | L610 | A608-L610 HydrophobicContact CB-CB 4.49Å; A608-L610 PolarHBondContact O-N 3.5Å | ||
| 609 | S | 38.9 | Very low | 60.6 | Low | 126 Ų | 126 | 63.6 Ų | 63.6 | 88% | 0.881 | 35% | 0.347 | S | S | * | . | trans | -62.4 | 10.1 | 164.9 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | S607 | S607-S609 PolarHBondContact O-N 2.96Š| ||
| 610 | L | 36.4 | Very low | 58.9 | Low | 100 Ų | 100 | 61.5 Ų | 61.5 | 52% | 0.524 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -64.3 | 136.6 | 159.1 | -70.2 | 166.2 | 0 | 0 | 0 | 106.5 | A608 I612 | A608-L610 HydrophobicContact CB-CB 4.49Å; A608-L610 PolarHBondContact O-N 3.5Å; L610-I612 VanDerWaalsContact C-N 3.28Å; L610-I612 PolarHBondContact O-N 3.26Å |
| 611 | P | 34.6 | Very low | 57 | Low | 120 Ų | 120 | 69.2 Ų | 69.2 | 78% | 0.779 | 37% | 0.371 | S | S | * | . | trans | -53.1 | 105.6 | 172.2 | 22.3 | -30 | 0 | 0 | 0 | 105.6 | S613 | P611-S613 PolarHBondContact O-N 3.32Š| ||
| 612 | I | 41.6 | Very low | 55.1 | Low | 54 Ų | 54 | 73.5 Ų | 73.5 | 28% | 0.277 | 40% | 0.396 | S | S | . | . | trans | -57.5 | 104.4 | 173.3 | -63.4 | 165.9 | 0 | 0 | 0 | 100.8 | L610 E614 Q616 F617 | L610-I612 VanDerWaalsContact C-N 3.28Å; L610-I612 PolarHBondContact O-N 3.26Å; I612-E614 PolarHBondContact O-N 3.32Å; I612-Q616 HydrophobicContact CG2-CB 3.57Å; I612-F617 HydrophobicContact CB-CD2 3.64Å; I612-F617 HydrophobicContact CB-CE2 3.71Å; I612-F617 HydrophobicContact CD1-CD2 4.16Å; I612-F617 HydrophobicContact CD1-CE2 3.42Å; I612-F617 VanDerWaalsContact CD1-CE2 3.42Å; I612-F617 HydrophobicContact CD1-CZ 3.96Å; I612-F617 HydrophobicContact CG1-CE2 4.14Å; I612-F617 HydrophobicContact CG2-CB 4.5Å; I612-F617 HydrophobicContact CG2-CD2 3.33Å; I612-F617 HydrophobicContact CG2-CE2 3.8Å; I612-F617 HydrophobicContact CG2-CG 4.13Å | ||
| 613 | S | 44.3 | Very low | 53.3 | Low | 56 Ų | 56 | 74.6 Ų | 74.6 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | trans | -46.8 | 135.9 | 179.3 | 52.9 | 0 | 0 | 0 | 0 | 105.6 | P611 I615 Q616 | P611-S613 PolarHBondContact O-N 3.32Å; S613-I615 CarbonylContact O-C 3.54Å; S613-I615 PolarHBondContact O-N 3.06Å; S613-Q616 PolarHBondContact O-N 3.42Å | ||
| 614 | E | 46.4 | Very low | 51.5 | Low | 159 Ų | 159 | 76.2 Ų | 76.2 | 74% | 0.743 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -44.7 | -34.4 | 179.5 | -157.1 | 160.1 | -160.7 | 0 | 0 | 110.9 | I612 Q616 F617 E618 | I612-E614 PolarHBondContact O-N 3.32Å; E614-Q616 PolarHBondContact O-N 3.19Å; E614-F617 PolarHBondContact O-N 3.41Å; E614-E618 WeakPolarHBondContact O-CB 3.48Å; E614-E618 WeakPolarHBondContact O-CG 3.49Å; E614-E618 PolarHBondContact O-N 3.14Å |
| 615 | I | 48.1 | Very low | 50 | Low | 104 Ų | 104 | 76.8 Ų | 76.8 | 53% | 0.533 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -48.8 | -42.3 | 169 | -53.5 | 170.6 | 0 | 0 | 0 | 115.2 | S613 K619 | S613-I615 CarbonylContact O-C 3.54Å; S613-I615 PolarHBondContact O-N 3.06Å; I615-K619 WeakPolarHBondContact O-CB 3.45Å; I615-K619 VanDerWaalsContact O-CG 3.25Å; I615-K619 WeakPolarHBondContact O-CG 3.2Å; I615-K619 PolarHBondContact O-N 3.18Å |
| 616 | Q | 49.9 | Very low | 48.7 | Very low | 34 Ų | 34 | 79.9 Ų | 79.9 | 16% | 0.159 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -79.9 | -34.4 | -179.3 | -117.9 | 179.6 | -13.7 | 0 | 0 | 112.2 | I612 S613 E614 K619 H620 | I612-Q616 HydrophobicContact CG2-CB 3.57Å; S613-Q616 PolarHBondContact O-N 3.42Å; E614-Q616 PolarHBondContact O-N 3.19Å; Q616-K619 PolarHBondContact O-N 3.4Å; Q616-H620 PolarHBondContact O-N 3.06Å; Q616-H620 PolarHBondContact O-ND1 2.67Å |
| 617 | F | 49.1 | Very low | 48.7 | Very low | 114 Ų | 114 | 80.7 Ų | 80.7 | 50% | 0.5 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 169.3 | -101.2 | -72.7 | 0 | 0 | 0 | 110.5 | I612 E614 K619 H620 R621 | I612-F617 HydrophobicContact CB-CD2 3.64Å; I612-F617 HydrophobicContact CB-CE2 3.71Å; I612-F617 HydrophobicContact CD1-CD2 4.16Å; I612-F617 HydrophobicContact CD1-CE2 3.42Å; I612-F617 VanDerWaalsContact CD1-CE2 3.42Å; I612-F617 HydrophobicContact CD1-CZ 3.96Å; I612-F617 HydrophobicContact CG1-CE2 4.14Å; I612-F617 HydrophobicContact CG2-CB 4.5Å; I612-F617 HydrophobicContact CG2-CD2 3.33Å; I612-F617 HydrophobicContact CG2-CE2 3.8Å; I612-F617 HydrophobicContact CG2-CG 4.13Å; E614-F617 PolarHBondContact O-N 3.41Å; F617-K619 VanDerWaalsContact C-N 3.35Å; F617-H620 PolarHBondContact O-N 3.2Å; F617-R621 WeakPolarHBondContact O-CB 3.27Å; F617-R621 WeakPolarHBondContact O-CG 3.49Å; F617-R621 PolarHBondContact O-N 2.82Å |
| 618 | E | 49.3 | Very low | 49.8 | Very low | 112 Ų | 112 | 80.6 Ų | 80.6 | 52% | 0.523 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 169.7 | -79.5 | -170 | 157 | 0 | 0 | 110.7 | E614 H620 R621 T622 | E614-E618 WeakPolarHBondContact O-CB 3.48Å; E614-E618 WeakPolarHBondContact O-CG 3.49Å; E614-E618 PolarHBondContact O-N 3.14Å; E618-H620 PolarHBondContact O-N 3.08Å; E618-R621 CarbonylContact O-C 3.57Å; E618-R621 WeakPolarHBondContact O-CA 3.49Å; E618-R621 WeakPolarHBondContact O-CB 3.48Å; E618-R621 PolarHBondContact O-N 3.23Å; E618-R621 VanDerWaalsContact O-N 3.1Å; E618-T622 WeakPolarHBondContact O-CB 3.5Å; E618-T622 WeakPolarHBondContact O-CG2 3.17Å; E618-T622 PolarHBondContact O-N 3.36Å; E618-T622 PolarHBondContact O-OG1 3.14Å |
| 619 | K | 50.8 | Low | 51.8 | Low | 49 Ų | 49 | 80.7 Ų | 80.7 | 21% | 0.213 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.9 | -52.5 | 174.6 | -80.8 | -176.4 | -179.1 | -167.5 | 0 | 111.1 | I615 Q616 F617 R621 T622 I623 Y661 | I615-K619 WeakPolarHBondContact O-CB 3.45Å; I615-K619 VanDerWaalsContact O-CG 3.25Å; I615-K619 WeakPolarHBondContact O-CG 3.2Å; I615-K619 PolarHBondContact O-N 3.18Å; Q616-K619 PolarHBondContact O-N 3.4Å; F617-K619 VanDerWaalsContact C-N 3.35Å; K619-R621 VanDerWaalsContact C-N 3.27Å; K619-R621 PolarHBondContact O-N 3.32Å; K619-T622 VanDerWaalsContact CA-OG1 3.26Å; K619-T622 WeakPolarHBondContact CA-OG1 3.4Å; K619-T622 PolarHBondContact O-N 3.13Å; K619-T622 PolarHBondContact O-OG1 2.7Å; K619-I623 VanDerWaalsContact O-CG1 3.26Å; K619-I623 WeakPolarHBondContact O-CG1 3.33Å; K619-I623 PolarHBondContact O-N 2.92Å; K619-Y661 HydrophobicContact CB-CE1 4.2Å; K619-Y661 HydrophobicContact CG-CE1 4.41Å |
| 620 | H | 51.4 | Low | 54 | Low | 57 Ų | 57 | 75.6 Ų | 75.6 | 26% | 0.264 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.3 | -38.5 | 176.9 | -74.9 | 79.6 | 0 | 0 | 0 | 112.7 | Q616 F617 E618 G662 | Q616-H620 PolarHBondContact O-N 3.06Å; Q616-H620 PolarHBondContact O-ND1 2.67Å; F617-H620 PolarHBondContact O-N 3.2Å; E618-H620 PolarHBondContact O-N 3.08Å; H620-G662 PolarHBondContact CE1-O 3.11Å |
| 621 | R | 48.9 | Very low | 56.6 | Low | 163 Ų | 163 | 70.9 Ų | 70.9 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 172.9 | -73.8 | 178.8 | 176.2 | -173.9 | -0.6 | 112.6 | F617 E618 K619 I623 G624 | F617-R621 WeakPolarHBondContact O-CB 3.27Å; F617-R621 WeakPolarHBondContact O-CG 3.49Å; F617-R621 PolarHBondContact O-N 2.82Å; E618-R621 CarbonylContact O-C 3.57Å; E618-R621 WeakPolarHBondContact O-CA 3.49Å; E618-R621 WeakPolarHBondContact O-CB 3.48Å; E618-R621 PolarHBondContact O-N 3.23Å; E618-R621 VanDerWaalsContact O-N 3.1Å; K619-R621 VanDerWaalsContact C-N 3.27Å; K619-R621 PolarHBondContact O-N 3.32Å; R621-I623 VanDerWaalsContact C-N 3.29Å; R621-I623 PolarHBondContact O-N 3.44Å; R621-G624 PolarHBondContact O-N 3.23Å |
| 622 | T | 46.8 | Very low | 59.5 | Low | 96 Ų | 96 | 65.1 Ų | 65.1 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.2 | -26.1 | -179.9 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | E618 K619 G624 Y661 | E618-T622 WeakPolarHBondContact O-CB 3.5Å; E618-T622 WeakPolarHBondContact O-CG2 3.17Å; E618-T622 PolarHBondContact O-N 3.36Å; E618-T622 PolarHBondContact O-OG1 3.14Å; K619-T622 VanDerWaalsContact CA-OG1 3.26Å; K619-T622 WeakPolarHBondContact CA-OG1 3.4Å; K619-T622 PolarHBondContact O-N 3.13Å; K619-T622 PolarHBondContact O-OG1 2.7Å; T622-G624 PolarHBondContact O-N 3.41Å; T622-Y661 PolarHBondContact OG1-OH 3Å |
| 623 | I | 51.7 | Low | 62.2 | Low | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.8 | -26.4 | 171.6 | -55 | 162.8 | 0 | 0 | 0 | 110.5 | K619 R621 F625 Y658 Y661 | K619-I623 VanDerWaalsContact O-CG1 3.26Å; K619-I623 WeakPolarHBondContact O-CG1 3.33Å; K619-I623 PolarHBondContact O-N 2.92Å; R621-I623 VanDerWaalsContact C-N 3.29Å; R621-I623 PolarHBondContact O-N 3.44Å; I623-F625 VanDerWaalsContact C-N 3.25Å; I623-F625 HydrophobicContact CB-CD2 4.21Å; I623-F625 HydrophobicContact CB-CG 4.42Å; I623-F625 HydrophobicContact CG2-CB 4.23Å; I623-F625 HydrophobicContact CG2-CD1 4.03Å; I623-F625 HydrophobicContact CG2-CD2 3.05Å; I623-F625 HydrophobicContact CG2-CE1 4.01Å; I623-F625 HydrophobicContact CG2-CE2 3.09Å; I623-F625 HydrophobicContact CG2-CG 3.53Å; I623-F625 HydrophobicContact CG2-CZ 3.58Å; I623-F625 PolarHBondContact O-N 2.88Å; I623-Y658 HydrophobicContact CG2-CD1 3.95Å; I623-Y658 HydrophobicContact CG2-CE1 4.08Å; I623-Y661 HydrophobicContact CD1-CD1 3.45Å; I623-Y661 VanDerWaalsContact CD1-CD1 3.45Å; I623-Y661 HydrophobicContact CD1-CE1 3.53Å; I623-Y661 HydrophobicContact CG1-CD1 3.53Å; I623-Y661 HydrophobicContact CG1-CE1 3.24Å |
| 624 | G | 50.9 | Low | 64.8 | Low | 49 Ų | 49 | 59.9 Ų | 59.9 | 51% | 0.505 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 18.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R621 T622 | R621-G624 PolarHBondContact O-N 3.23Å; T622-G624 PolarHBondContact O-N 3.41Å |
| 625 | F | 55.8 | Low | 67.2 | Low | 30 Ų | 30 | 52.3 Ų | 52.3 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | trans | -95.5 | 138.3 | 179 | -64.6 | -20.2 | 0 | 0 | 0 | 112.6 | R598 I602 I623 Y658 | R598-F625 HydrophobicContact CB-CE1 3.8Å; R598-F625 HydrophobicContact CB-CZ 4.26Å; R598-F625 HydrophobicContact CG-CE1 3.62Å; R598-F625 HydrophobicContact CG-CZ 3.68Å; I602-F625 HydrophobicContact CD1-CD2 4.36Å; I602-F625 HydrophobicContact CD1-CE2 4Å; I602-F625 HydrophobicContact CG1-CD2 4.41Å; I602-F625 HydrophobicContact CG1-CE2 4.37Å; I623-F625 VanDerWaalsContact C-N 3.25Å; I623-F625 HydrophobicContact CB-CD2 4.21Å; I623-F625 HydrophobicContact CB-CG 4.42Å; I623-F625 HydrophobicContact CG2-CB 4.23Å; I623-F625 HydrophobicContact CG2-CD1 4.03Å; I623-F625 HydrophobicContact CG2-CD2 3.05Å; I623-F625 HydrophobicContact CG2-CE1 4.01Å; I623-F625 HydrophobicContact CG2-CE2 3.09Å; I623-F625 HydrophobicContact CG2-CG 3.53Å; I623-F625 HydrophobicContact CG2-CZ 3.58Å; I623-F625 PolarHBondContact O-N 2.88Å; F625-Y658 AromaticContact CE2-CD1 3.55Å; F625-Y658 HydrophobicContact CE2-CD1 3.55Å; F625-Y658 HydrophobicContact CE2-CD2 4.44Å; F625-Y658 AromaticContact CE2-CE1 3.86Å; F625-Y658 HydrophobicContact CE2-CE1 3.86Å; F625-Y658 AromaticContact CE2-CG 3.87Å; F625-Y658 HydrophobicContact CE2-CG 3.87Å; F625-Y658 AromaticContact CZ-CD1 3.94Å; F625-Y658 HydrophobicContact CZ-CD1 3.94Å; F625-Y658 AromaticContact CZ-CE1 3.75Å; F625-Y658 HydrophobicContact CZ-CE1 3.75Å; F625-Y658 HydrophobicContact CZ-CE2 4.4Å; F625-Y658 HydrophobicContact CZ-CG 4.34Å; F625-Y658 AromaticContact CZ-CZ 3.99Å | ||
| 626 | N | 54.7 | Low | 69.5 | Low | 96 Ų | 96 | 47.4 Ų | 47.4 | 51% | 0.513 | 24% | 0.244 | S | C | . | . | trans | -58.4 | 139.1 | 154.7 | -73.9 | -33.5 | 0 | 0 | 0 | 108.6 | K628 | N626-K628 PolarHBondContact O-N 3.42Š| ||
| 627 | S | 67.8 | Low | 71.4 | Confident | 71 Ų | 71 | 46 Ų | 46 | 50% | 0.497 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -65.3 | 2.1 | 175.8 | 58 | 0 | 0 | 0 | 0 | 114.2 | I602 Y603 F604 | I602-S627 CarbonylContact O-C 3.49Å; Y603-S627 WeakPolarHBondContact CA-O 3.44Å; Y603-S627 WeakPolarHBondContact CD2-O 3.38Å; F604-S627 PolarHBondContact N-O 3.38Å |
| 628 | K | 81.7 | Confident | 73.4 | Confident | 66 Ų | 66 | 40.6 Ų | 40.6 | 29% | 0.287 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -123.6 | 143.5 | 177.3 | -63.3 | -168.7 | 177.3 | -164.5 | 0 | 109.5 | E329 Y603 N626 | E329-K628 IonicContact OE1-NZ 2.79Å; E329-K628 PolarHBondContact OE1-NZ 3.3Å; Y603-K628 HydrophobicContact CD2-CG 4.47Å; N626-K628 PolarHBondContact O-N 3.42Å |
| 629 | Q | 88.1 | Confident | 74.9 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | trans | -76.4 | 126.1 | 165.3 | -176.8 | 175.5 | -6.9 | 0 | 0 | 108.5 | Q325 V458 T600 G631 | Q325-Q629 PolarHBondContact NE2-O 3.38Å; Q325-Q629 VanDerWaalsContact NE2-O 3.12Å; V458-Q629 PolarHBondContact O-NE2 3.18Å; T600-Q629 WeakPolarHBondContact O-CA 3.43Å; Q629-G631 VanDerWaalsContact CG-O 3.28Å; Q629-G631 WeakPolarHBondContact CG-O 2.9Å; Q629-G631 PolarHBondContact NE2-O 2.86Å | ||
| 630 | C | 86.5 | Confident | 76.6 | Confident | 19 Ų | 19 | 34 Ų | 34 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | trans | -119.9 | 5.8 | -179.3 | -65.7 | 0 | 0 | 0 | 0 | 113.3 | H505 G506 S507 T600 P848 | H505-C630 CarbonylContact O-C 3.56Å; G506-C630 CarbonylContact C-O 3.58Å; G506-C630 VanDerWaalsContact CA-O 3.3Å; G506-C630 WeakPolarHBondContact CA-O 3.39Å; S507-C630 CarbonylContact C-O 3.53Å; S507-C630 WeakPolarHBondContact CA-O 3.37Å; S507-C630 PolarHBondContact N-O 2.89Å; S507-C630 CarbonylContact O-C 3.53Å; T600-C630 PolarHBondContact O-N 3.25Å; C630-P848 HydrophobicContact CB-CB 4.27Å; C630-P848 VanDerWaalsContact O-O 3.06Å | ||
| 631 | G | 90.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -149 | -176.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H505 P508 T600 Q629 | H505-G631 PolarHBondContact O-N 3.4Å; P508-G631 CarbonylContact O-C 3.59Å; P508-G631 WeakPolarHBondContact O-CA 3.41Å; T600-G631 PolarHBondContact O-N 3.18Å; Q629-G631 VanDerWaalsContact CG-O 3.28Å; Q629-G631 WeakPolarHBondContact CG-O 2.9Å; Q629-G631 PolarHBondContact NE2-O 2.86Å | ||
| 632 | I | 95.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 143.7 | -179 | -164.6 | 152.6 | 0 | 0 | 0 | 114 | V458 M460 H505 P508 V509 I510 | V458-I632 HydrophobicContact CB-CD1 4.34Å; V458-I632 HydrophobicContact CG1-CD1 3.82Å; M460-I632 HydrophobicContact CB-CD1 4.38Å; M460-I632 HydrophobicContact CE-CB 4.33Å; M460-I632 HydrophobicContact CE-CD1 3.2Å; M460-I632 HydrophobicContact CE-CG1 3.84Å; M460-I632 HydrophobicContact CE-CG2 3.77Å; M460-I632 HydrophobicContact SD-CB 3.94Å; M460-I632 HydrophobicContact SD-CD1 3.4Å; M460-I632 WeakPolarHBondContact SD-CD1 3.27Å; M460-I632 HydrophobicContact SD-CG1 3.34Å; M460-I632 WeakPolarHBondContact SD-CG1 3.49Å; M460-I632 HydrophobicContact SD-CG2 3.39Å; M460-I632 WeakPolarHBondContact SD-CG2 3.38Å; H505-I632 HydrophobicContact CB-CB 3.81Å; H505-I632 HydrophobicContact CB-CD1 4.33Å; H505-I632 HydrophobicContact CB-CG2 3.74Å; P508-I632 PolarHBondContact O-N 3.47Å; V509-I632 HydrophobicContact CG2-CG2 4.35Å; I510-I632 PolarHBondContact N-O 3.24Å |
| 633 | I | 98.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.3 | 170.9 | -54.3 | 174.3 | 0 | 0 | 0 | 108.8 | Y457 M460 I510 L512 C596 V597 T600 V635 I651 | Y457-I633 WeakPolarHBondContact OH-CD1 3.22Å; Y457-I633 WeakPolarHBondContact OH-CG1 3.36Å; M460-I633 PolarHBondContact N-O 3.38Å; I510-I633 WeakPolarHBondContact O-CA 3.45Å; L512-I633 HydrophobicContact CB-CG2 4.31Å; C596-I633 HydrophobicContact CB-CD1 3.52Å; C596-I633 HydrophobicContact CB-CG1 4.01Å; V597-I633 HydrophobicContact CG2-CD1 4.11Å; T600-I633 HydrophobicContact CG2-CG1 4.19Å; I633-V635 HydrophobicContact CG2-CG2 4.08Å; I633-I651 HydrophobicContact CB-CD1 4.37Å; I633-I651 HydrophobicContact CD1-CD1 4.43Å; I633-I651 HydrophobicContact CD1-CG1 4.32Å; I633-I651 HydrophobicContact CD1-CG2 4.29Å; I633-I651 HydrophobicContact CG2-CD1 3.75Å |
| 634 | R | 97.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 111.8 | 171.1 | 177.8 | -175.4 | 177.4 | 78.9 | -3.3 | 109.6 | M460 S463 H497 I510 L512 | M460-R634 HydrophobicContact CG-CB 3.99Å; M460-R634 HydrophobicContact CG-CG 4.08Å; M460-R634 CarbonylContact O-C 3.5Å; M460-R634 WeakPolarHBondContact O-CA 3.41Å; M460-R634 HydrophobicContact SD-CB 3.92Å; S463-R634 PolarHBondContact O-NH2 2.89Å; H497-R634 VanDerWaalsContact CE1-CZ 3.5Å; H497-R634 PolarHBondContact CE1-NH1 2.87Å; H497-R634 PolarHBondContact NE2-NE 3.44Å; H497-R634 PolarHBondContact NE2-NH1 3.48Å; H497-R634 PolarHBondContact NE2-NH2 2.77Å; I510-R634 PolarHBondContact O-N 3.26Å; L512-R634 PolarHBondContact N-O 2.64Å |
| 635 | V | 97.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.2 | 176.5 | -166.5 | 0 | 0 | 0 | 0 | 110.1 | M460 R461 L512 L514 I633 T644 A647 Q648 I651 | M460-V635 PolarHBondContact O-N 2.76Å; R461-V635 VanDerWaalsContact CA-O 3.26Å; R461-V635 WeakPolarHBondContact CA-O 3.45Å; R461-V635 WeakPolarHBondContact CB-O 3.35Å; L512-V635 HydrophobicContact CB-CG2 4.5Å; L512-V635 HydrophobicContact CD2-CG1 4.32Å; L512-V635 HydrophobicContact CD2-CG2 4.26Å; L514-V635 HydrophobicContact CD1-CG1 3.59Å; L514-V635 HydrophobicContact CG-CG1 4.08Å; I633-V635 HydrophobicContact CG2-CG2 4.08Å; V635-T644 HydrophobicContact CG1-CG2 3.96Å; V635-A647 HydrophobicContact CG1-CB 3.87Å; V635-Q648 HydrophobicContact CG2-CG 4.42Å; V635-I651 HydrophobicContact CG2-CD1 3.46Å; V635-I651 VanDerWaalsContact CG2-CD1 3.46Å |
| 636 | N | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.7 | 175.1 | 71.5 | -78.8 | 0 | 0 | 0 | 111.8 | L512 N513 L514 | L512-N636 PolarHBondContact O-N 3.27Å; L512-N636 PolarHBondContact O-OD1 3.23Å; N513-N636 WeakPolarHBondContact CA-OD1 3.4Å; N513-N636 PolarHBondContact OD1-ND2 3.23Å; L514-N636 WeakPolarHBondContact CB-O 3.24Å; L514-N636 PolarHBondContact N-O 3.28Å |
| 637 | C | 91.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 3% | 0.027 | 7% | 0.067 | C | C | . | . | trans | -152 | -178.2 | 167.4 | -168.5 | 0 | 0 | 0 | 0 | 107.6 | L514 D639 C640 R643 T644 | L514-C637 HydrophobicContact CB-CB 4.19Å; C637-D639 PolarHBondContact O-N 2.95Å; C637-C640 PolarHBondContact N-SG 3.43Å; C637-C640 VanDerWaalsContact N-SG 3.39Å; C637-C640 PolarHBondContact O-SG 3.44Å; C637-R643 WeakPolarHBondContact SG-CD 3.46Å; C637-R643 PolarHBondContact SG-NH1 3Å; C637-T644 HydrophobicContact CB-CG2 3.73Å | ||
| 638 | V | 89.3 | Confident | 91.8 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.006 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -59.3 | -45.2 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | W468 F523 E524 | W468-V638 HydrophobicContact CH2-CG2 3.66Å; W468-V638 VanDerWaalsContact CH2-O 3.23Å; W468-V638 WeakPolarHBondContact CH2-O 3.4Å; W468-V638 HydrophobicContact CZ3-CG2 4.05Å; F523-V638 HydrophobicContact CE1-CG2 4.12Å; E524-V638 HydrophobicContact CG-CB 4.32Å; E524-V638 HydrophobicContact CG-CG1 4.26Å |
| 639 | D | 82.2 | Confident | 92.5 | Very high | 21 Ų | 21 | 5.8 Ų | 5.8 | 11% | 0.112 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -101.3 | -17.3 | -177.5 | -63.5 | -57.3 | 0 | 0 | 0 | 114 | R419 R423 R479 C637 L641 Y696 | R419-D639 VanDerWaalsContact CZ-CG 3.46Å; R419-D639 IonicContact CZ-OD1 3.38Å; R419-D639 IonicContact CZ-OD2 3.96Å; R419-D639 IonicContact NE-OD1 3.59Å; R419-D639 PolarHBondContact NE-OD1 3.35Å; R419-D639 IonicContact NH2-OD1 2.85Å; R419-D639 PolarHBondContact NH2-OD1 2.91Å; R419-D639 IonicContact NH2-OD2 3.81Å; R419-D639 PolarHBondContact NH2-OD2 3.29Å; R423-D639 IonicContact CZ-OD1 3.03Å; R423-D639 IonicContact NH1-OD1 2.72Å; R423-D639 IonicContact NH2-OD1 3.4Å; R423-D639 PolarHBondContact NH2-OD1 2.93Å; R479-D639 IonicContact NH2-OD1 2.74Å; R479-D639 IonicContact NH2-OD2 3.75Å; R479-D639 PolarHBondContact NH2-OD2 3.06Å; C637-D639 PolarHBondContact O-N 2.95Å; D639-L641 PolarHBondContact O-N 2.79Å; D639-Y696 WeakPolarHBondContact O-CE1 3.47Å |
| 640 | C | 86.9 | Confident | 92.9 | Very high | 2 Ų | 2 | 5.2 Ų | 5.2 | 1% | 0.014 | 3% | 0.027 | C | C | . | . | S | Bend | trans | 50.7 | 38.6 | -174.4 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | N433 G462 C637 T644 | N433-C640 PolarHBondContact ND2-O 3.19Å; G462-C640 VanDerWaalsContact C-SG 3.54Å; G462-C640 PolarHBondContact O-SG 2.89Å; C637-C640 PolarHBondContact N-SG 3.43Å; C637-C640 VanDerWaalsContact N-SG 3.39Å; C637-C640 PolarHBondContact O-SG 3.44Å; C640-T644 WeakPolarHBondContact CA-OG1 3.47Å; C640-T644 HydrophobicContact CB-CG2 4.3Å; C640-T644 PolarHBondContact O-OG1 2.77Å |
| 641 | L | 88 | Confident | 93.4 | Very high | 2 Ų | 2 | 4.3 Ų | 4.3 | 1% | 0.01 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -118.7 | -87.5 | 176.3 | -66.8 | -178.8 | 0 | 0 | 0 | 112.2 | D639 T644 N645 A693 Y696 L701 | D639-L641 PolarHBondContact O-N 2.79Å; L641-T644 PolarHBondContact N-OG1 3.03Å; L641-T644 VanDerWaalsContact N-OG1 3.12Å; L641-T644 PolarHBondContact O-OG1 2.77Å; L641-N645 WeakPolarHBondContact O-CB 3.35Å; L641-N645 PolarHBondContact O-N 2.75Å; L641-A693 HydrophobicContact CD2-CB 4.1Å; L641-Y696 HydrophobicContact CD1-CD1 4.12Å; L641-Y696 HydrophobicContact CD2-CD1 3.87Å; L641-Y696 HydrophobicContact CG-CD1 4.02Å; L641-L701 HydrophobicContact CB-CD2 4.41Å |
| 642 | D | 85.4 | Confident | 93.7 | Very high | 19 Ų | 19 | 4.3 Ų | 4.3 | 10% | 0.102 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -71.2 | -53.8 | -165.8 | -48.9 | -71.5 | 0 | 0 | 0 | 113.1 | T644 N645 T646 L701 V702 H703 R727 | D642-T644 VanDerWaalsContact C-N 3.35Å; D642-T644 PolarHBondContact O-N 2.86Å; D642-N645 PolarHBondContact O-N 3.07Å; D642-T646 PolarHBondContact O-N 3Å; D642-T646 PolarHBondContact O-OG1 2.6Å; D642-L701 HydrophobicContact CB-CD2 4.48Å; D642-L701 WeakPolarHBondContact OD1-CA 3.29Å; D642-L701 WeakPolarHBondContact OD1-CD2 3.35Å; D642-V702 PolarHBondContact OD1-N 3.42Å; D642-H703 HydrophobicContact CB-CB 4.24Å; D642-H703 PolarHBondContact OD1-N 3.44Å; D642-R727 IonicContact OD1-CZ 2.89Å; D642-R727 IonicContact OD1-NH1 2.82Å; D642-R727 PolarHBondContact OD1-NH1 2.81Å; D642-R727 IonicContact OD1-NH2 3.14Å; D642-R727 PolarHBondContact OD1-NH2 2.8Å; D642-R727 IonicContact OD2-CZ 3.37Å; D642-R727 IonicContact OD2-NH1 3.85Å; D642-R727 PolarHBondContact OD2-NH1 2.73Å; D642-R727 IonicContact OD2-NH2 3.85Å |
| 643 | R | 92.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 4.9 Ų | 4.9 | 14% | 0.143 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 179.9 | -68.2 | 171.5 | -166 | 169.6 | 24.3 | 112.2 | L514 K516 E524 I574 C637 T646 A647 Y708 | L514-R643 HydrophobicContact CD1-CB 4.2Å; L514-R643 WeakPolarHBondContact CD1-O 3.19Å; L514-R643 PolarHBondContact O-NH1 3.4Å; K516-R643 VanDerWaalsContact CE-NH2 3.29Å; E524-R643 IonicContact OE1-CZ 2.68Å; E524-R643 IonicContact OE1-NH1 3.56Å; E524-R643 IonicContact OE1-NH2 2.83Å; E524-R643 PolarHBondContact OE1-NH2 2.86Å; E524-R643 IonicContact OE2-CZ 2.57Å; E524-R643 IonicContact OE2-NH1 3.11Å; E524-R643 PolarHBondContact OE2-NH1 3.22Å; E524-R643 IonicContact OE2-NH2 3.28Å; E524-R643 PolarHBondContact OE2-NH2 3.43Å; I574-R643 HydrophobicContact CD1-CB 4.38Å; I574-R643 HydrophobicContact CG2-CB 3.93Å; I574-R643 HydrophobicContact CG2-CG 3.61Å; C637-R643 WeakPolarHBondContact SG-CD 3.46Å; C637-R643 PolarHBondContact SG-NH1 3Å; R643-T646 PolarHBondContact O-N 3.21Å; R643-A647 PolarHBondContact O-N 3.15Å; R643-A647 VanDerWaalsContact O-N 3.11Å; R643-Y708 HydrophobicContact CG-CE1 4.48Å; R643-Y708 VanDerWaalsContact CG-OH 3.29Å; R643-Y708 WeakPolarHBondContact CG-OH 3.29Å |
| 644 | T | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -67.8 | -42.3 | 179.2 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | L514 V635 C637 C640 L641 D642 T646 A647 Q648 | L514-T644 HydrophobicContact CD1-CG2 4.25Å; V635-T644 HydrophobicContact CG1-CG2 3.96Å; C637-T644 HydrophobicContact CB-CG2 3.73Å; C640-T644 WeakPolarHBondContact CA-OG1 3.47Å; C640-T644 HydrophobicContact CB-CG2 4.3Å; C640-T644 PolarHBondContact O-OG1 2.77Å; L641-T644 PolarHBondContact N-OG1 3.03Å; L641-T644 VanDerWaalsContact N-OG1 3.12Å; L641-T644 PolarHBondContact O-OG1 2.77Å; D642-T644 VanDerWaalsContact C-N 3.35Å; D642-T644 PolarHBondContact O-N 2.86Å; T644-T646 VanDerWaalsContact C-N 3.27Å; T644-T646 PolarHBondContact O-N 2.88Å; T644-A647 PolarHBondContact O-N 2.81Å; T644-A647 VanDerWaalsContact O-N 3.16Å; T644-Q648 WeakPolarHBondContact O-CB 3.33Å; T644-Q648 VanDerWaalsContact O-CG 3.26Å; T644-Q648 WeakPolarHBondContact O-CG 3.33Å; T644-Q648 PolarHBondContact O-N 3.37Å |
| 645 | N | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 177 | -165.5 | 66 | 0 | 0 | 0 | 112.2 | L641 D642 Q648 F649 Y685 H688 G689 L701 | L641-N645 WeakPolarHBondContact O-CB 3.35Å; L641-N645 PolarHBondContact O-N 2.75Å; D642-N645 PolarHBondContact O-N 3.07Å; N645-Q648 PolarHBondContact O-N 3.05Å; N645-F649 PolarHBondContact O-N 2.93Å; N645-Y685 PolarHBondContact ND2-O 3.38Å; N645-Y685 PolarHBondContact OD1-O 3.31Å; N645-H688 PolarHBondContact OD1-ND1 2.82Å; N645-H688 VanDerWaalsContact OD1-ND1 3.13Å; N645-G689 VanDerWaalsContact CG-CA 3.42Å; N645-G689 WeakPolarHBondContact OD1-CA 3.22Å; N645-G689 PolarHBondContact OD1-N 2.87Å; N645-L701 HydrophobicContact CB-CD1 4.06Å |
| 646 | T | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | L586 D642 R643 T644 F649 V650 Y708 | L586-T646 HydrophobicContact CD1-CG2 4.19Å; D642-T646 PolarHBondContact O-N 3Å; D642-T646 PolarHBondContact O-OG1 2.6Å; R643-T646 PolarHBondContact O-N 3.21Å; T644-T646 VanDerWaalsContact C-N 3.27Å; T644-T646 PolarHBondContact O-N 2.88Å; T646-F649 WeakPolarHBondContact O-CB 3.38Å; T646-F649 PolarHBondContact O-N 3.36Å; T646-V650 WeakPolarHBondContact O-CG2 3.42Å; T646-V650 PolarHBondContact O-N 3.43Å; T646-V650 VanDerWaalsContact O-N 3.09Å; T646-Y708 HydrophobicContact CG2-CD1 4.38Å; T646-Y708 HydrophobicContact CG2-CD2 3.72Å; T646-Y708 HydrophobicContact CG2-CE2 4.44Å; T646-Y708 HydrophobicContact CG2-CG 3.67Å; T646-Y708 WeakPolarHBondContact OG1-CD2 3.13Å; T646-Y708 WeakPolarHBondContact OG1-CE2 3.29Å |
| 647 | A | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L512 L514 L589 V635 R643 T644 F649 V650 I651 | L512-A647 HydrophobicContact CD2-CB 4.28Å; L514-A647 HydrophobicContact CD1-CB 3.55Å; L514-A647 HydrophobicContact CD2-CB 4.38Å; L589-A647 HydrophobicContact CD2-CB 3.89Å; V635-A647 HydrophobicContact CG1-CB 3.87Å; R643-A647 PolarHBondContact O-N 3.15Å; R643-A647 VanDerWaalsContact O-N 3.11Å; T644-A647 PolarHBondContact O-N 2.81Å; T644-A647 VanDerWaalsContact O-N 3.16Å; A647-F649 VanDerWaalsContact C-N 3.29Å; A647-F649 PolarHBondContact O-N 3.07Å; A647-V650 PolarHBondContact O-N 2.99Å; A647-V650 VanDerWaalsContact O-N 3.16Å; A647-I651 WeakPolarHBondContact O-CG1 3.45Å; A647-I651 PolarHBondContact O-N 2.83Å |
| 648 | Q | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.3 | -36.2 | 175 | -69.6 | -171.1 | -75.5 | 0 | 0 | 112.1 | T437 Q459 V635 T644 N645 I651 G652 Y685 | T437-Q648 PolarHBondContact OG1-NE2 3.44Å; Q459-Q648 PolarHBondContact NE2-O 3.48Å; Q459-Q648 VanDerWaalsContact OE1-CA 3.26Å; Q459-Q648 VanDerWaalsContact OE1-CB 3.32Å; Q459-Q648 VanDerWaalsContact OE1-CG 3.25Å; V635-Q648 HydrophobicContact CG2-CG 4.42Å; T644-Q648 WeakPolarHBondContact O-CB 3.33Å; T644-Q648 VanDerWaalsContact O-CG 3.26Å; T644-Q648 WeakPolarHBondContact O-CG 3.33Å; T644-Q648 PolarHBondContact O-N 3.37Å; N645-Q648 PolarHBondContact O-N 3.05Å; Q648-I651 WeakPolarHBondContact O-CB 3.28Å; Q648-I651 PolarHBondContact O-N 3.04Å; Q648-G652 PolarHBondContact O-N 3.3Å; Q648-Y685 HydrophobicContact CB-CD1 4.37Å; Q648-Y685 HydrophobicContact CB-CE1 4.1Å; Q648-Y685 VanDerWaalsContact O-CE1 3.3Å; Q648-Y685 WeakPolarHBondContact O-CE1 3.19Å |
| 649 | F | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 171.2 | 165.4 | -104.9 | 0 | 0 | 0 | 112 | L586 N645 T646 A647 I651 G652 R653 L681 Q682 Y685 I705 | L586-F649 HydrophobicContact CD2-CD1 4.46Å; L586-F649 HydrophobicContact CD2-CE1 3.9Å; N645-F649 PolarHBondContact O-N 2.93Å; T646-F649 WeakPolarHBondContact O-CB 3.38Å; T646-F649 PolarHBondContact O-N 3.36Å; A647-F649 VanDerWaalsContact C-N 3.29Å; A647-F649 PolarHBondContact O-N 3.07Å; F649-I651 VanDerWaalsContact C-N 3.29Å; F649-I651 PolarHBondContact O-N 2.82Å; F649-G652 CarbonylContact O-C 3.53Å; F649-G652 PolarHBondContact O-N 3.18Å; F649-G652 VanDerWaalsContact O-N 3.15Å; F649-R653 WeakPolarHBondContact O-CB 3.44Å; F649-R653 PolarHBondContact O-N 3.13Å; F649-L681 HydrophobicContact CD2-CG 4.44Å; F649-L681 HydrophobicContact CE2-CB 4.46Å; F649-L681 HydrophobicContact CE2-CD2 4.18Å; F649-L681 HydrophobicContact CE2-CG 4.14Å; F649-Q682 HydrophobicContact CD2-CB 4.47Å; F649-Q682 HydrophobicContact CE2-CB 3.75Å; F649-Q682 HydrophobicContact CE2-CG 4.22Å; F649-Q682 HydrophobicContact CZ-CB 4.04Å; F649-Q682 HydrophobicContact CZ-CG 4.3Å; F649-Y685 HydrophobicContact CB-CD1 4.16Å; F649-Y685 HydrophobicContact CB-CD2 4.49Å; F649-Y685 HydrophobicContact CB-CG 3.94Å; F649-Y685 AromaticContact CD2-CD2 3.96Å; F649-Y685 HydrophobicContact CD2-CD2 3.96Å; F649-Y685 HydrophobicContact CD2-CG 4.09Å; F649-I705 HydrophobicContact CB-CD1 3.6Å; F649-I705 HydrophobicContact CB-CG1 4.12Å; F649-I705 HydrophobicContact CD1-CD1 4.12Å; F649-I705 HydrophobicContact CD1-CG1 4.31Å; F649-I705 HydrophobicContact CD1-CG2 3.52Å; F649-I705 HydrophobicContact CD2-CD1 3.92Å; F649-I705 HydrophobicContact CE1-CG2 3.66Å; F649-I705 HydrophobicContact CG-CD1 3.59Å; F649-I705 HydrophobicContact CG-CG1 4.21Å; F649-I705 HydrophobicContact CG-CG2 4.17Å; F649-I705 HydrophobicContact CZ-CG2 4.41Å |
| 650 | V | 96.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 5.2 Ų | 5.2 | 2% | 0.018 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -61.7 | -40.1 | 176.8 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | L586 L589 Q590 I593 T646 A647 R653 V654 | L586-V650 HydrophobicContact CB-CG2 4.29Å; L586-V650 HydrophobicContact CG-CG2 3.78Å; L589-V650 HydrophobicContact CB-CG1 4.3Å; L589-V650 HydrophobicContact CD2-CB 4.13Å; L589-V650 HydrophobicContact CD2-CG1 4.33Å; L589-V650 HydrophobicContact CD2-CG2 4.15Å; L589-V650 HydrophobicContact CG-CB 4.45Å; L589-V650 HydrophobicContact CG-CG1 4.11Å; Q590-V650 HydrophobicContact CB-CG1 4.44Å; I593-V650 HydrophobicContact CB-CG1 4.37Å; I593-V650 HydrophobicContact CG1-CG1 3.99Å; T646-V650 WeakPolarHBondContact O-CG2 3.42Å; T646-V650 PolarHBondContact O-N 3.43Å; T646-V650 VanDerWaalsContact O-N 3.09Å; A647-V650 PolarHBondContact O-N 2.99Å; A647-V650 VanDerWaalsContact O-N 3.16Å; V650-R653 PolarHBondContact O-N 2.58Å; V650-V654 WeakPolarHBondContact O-CG2 3.39Å; V650-V654 PolarHBondContact O-N 3.32Å; V650-V654 VanDerWaalsContact O-N 3.12Å |
| 651 | I | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -57.4 | -54.8 | 170.1 | -66.2 | 161.9 | 0 | 0 | 0 | 110.2 | Y457 Q459 I593 I633 V635 A647 Q648 F649 R653 V654 V655 | Y457-I651 HydrophobicContact CD1-CG2 4.38Å; Y457-I651 HydrophobicContact CE1-CG2 3.73Å; Q459-I651 HydrophobicContact CB-CG2 4.39Å; I593-I651 HydrophobicContact CD1-CD1 4.12Å; I593-I651 HydrophobicContact CD1-CG1 3.56Å; I593-I651 HydrophobicContact CG1-CG1 4.08Å; I593-I651 HydrophobicContact CG2-CB 4.26Å; I593-I651 HydrophobicContact CG2-CG1 3.85Å; I633-I651 HydrophobicContact CB-CD1 4.37Å; I633-I651 HydrophobicContact CD1-CD1 4.43Å; I633-I651 HydrophobicContact CD1-CG1 4.32Å; I633-I651 HydrophobicContact CD1-CG2 4.29Å; I633-I651 HydrophobicContact CG2-CD1 3.75Å; V635-I651 HydrophobicContact CG2-CD1 3.46Å; V635-I651 VanDerWaalsContact CG2-CD1 3.46Å; A647-I651 WeakPolarHBondContact O-CG1 3.45Å; A647-I651 PolarHBondContact O-N 2.83Å; Q648-I651 WeakPolarHBondContact O-CB 3.28Å; Q648-I651 PolarHBondContact O-N 3.04Å; F649-I651 VanDerWaalsContact C-N 3.29Å; F649-I651 PolarHBondContact O-N 2.82Å; I651-R653 PolarHBondContact O-N 3.43Å; I651-V654 PolarHBondContact O-N 3.14Å; I651-V655 HydrophobicContact CG2-CG2 4.12Å; I651-V655 VanDerWaalsContact O-CB 3.29Å; I651-V655 WeakPolarHBondContact O-CB 3.3Å; I651-V655 WeakPolarHBondContact O-CG2 3.3Å; I651-V655 PolarHBondContact O-N 2.84Å |
| 652 | G | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.01 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -56.4 | -36.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q439 Q648 F649 L656 Y685 | Q439-G652 PolarHBondContact NE2-O 2.93Å; Q439-G652 VanDerWaalsContact OE1-CA 3.26Å; Q439-G652 PolarHBondContact OE1-O 3.29Å; Q648-G652 PolarHBondContact O-N 3.3Å; F649-G652 CarbonylContact O-C 3.53Å; F649-G652 PolarHBondContact O-N 3.18Å; F649-G652 VanDerWaalsContact O-N 3.15Å; G652-L656 WeakPolarHBondContact O-CB 3.3Å; G652-L656 PolarHBondContact O-N 3.49Å; G652-Y685 VanDerWaalsContact CA-OH 3.26Å; G652-Y685 WeakPolarHBondContact CA-OH 3.43Å |
| 653 | R | 96 | Very high | 93.2 | Very high | 11 Ų | 11 | 5.9 Ų | 5.9 | 4% | 0.042 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -67.7 | -51.5 | 178.7 | -173.1 | -171.7 | 163.6 | -146.3 | -0.8 | 112.1 | F649 V650 I651 V655 L656 A657 F671 D673 D678 L681 | F649-R653 WeakPolarHBondContact O-CB 3.44Å; F649-R653 PolarHBondContact O-N 3.13Å; V650-R653 PolarHBondContact O-N 2.58Å; I651-R653 PolarHBondContact O-N 3.43Å; R653-V655 VanDerWaalsContact C-N 3.32Å; R653-V655 PolarHBondContact O-N 3.32Å; R653-L656 PolarHBondContact O-N 3.07Å; R653-A657 PolarHBondContact O-N 3.3Å; R653-A657 VanDerWaalsContact O-N 3.09Å; R653-F671 HydrophobicContact CG-CE2 3.82Å; R653-F671 HydrophobicContact CG-CZ 3.53Å; R653-F671 PolarHBondContact NH2-O 3.26Å; R653-D673 IonicContact CZ-OD1 3.88Å; R653-D673 IonicContact NH1-OD1 3.51Å; R653-D673 PolarHBondContact NH1-OD1 3Å; R653-D673 IonicContact NH2-OD1 3.63Å; R653-D673 PolarHBondContact NH2-OD1 3.39Å; R653-D678 WeakPolarHBondContact CD-OD1 3.38Å; R653-D678 IonicContact NE-OD1 3.18Å; R653-D678 PolarHBondContact NE-OD1 3.41Å; R653-L681 VanDerWaalsContact CA-CD2 3.46Å; R653-L681 HydrophobicContact CB-CD2 3.93Å; R653-L681 HydrophobicContact CG-CD2 4.38Å |
| 654 | V | 95.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 5.7 Ų | 5.7 | 4% | 0.042 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60 | -47.1 | 176.7 | 170.7 | 0 | 0 | 0 | 0 | 110 | Q590 I593 D594 V597 V650 I651 L656 A657 Y658 | Q590-V654 HydrophobicContact CG-CG2 3.93Å; I593-V654 HydrophobicContact CB-CG2 4.42Å; I593-V654 HydrophobicContact CG2-CB 3.91Å; I593-V654 HydrophobicContact CG2-CG1 4.27Å; I593-V654 HydrophobicContact CG2-CG2 3.83Å; D594-V654 HydrophobicContact CB-CG1 4.35Å; V597-V654 HydrophobicContact CB-CG1 4.34Å; V597-V654 HydrophobicContact CG2-CG1 4.1Å; V650-V654 WeakPolarHBondContact O-CG2 3.39Å; V650-V654 PolarHBondContact O-N 3.32Å; V650-V654 VanDerWaalsContact O-N 3.12Å; I651-V654 PolarHBondContact O-N 3.14Å; V654-L656 VanDerWaalsContact C-N 3.34Å; V654-L656 PolarHBondContact O-N 3.35Å; V654-A657 WeakPolarHBondContact O-CB 3.15Å; V654-A657 PolarHBondContact O-N 2.97Å; V654-Y658 HydrophobicContact CG1-CD2 3.98Å; V654-Y658 HydrophobicContact CG1-CE2 3.83Å; V654-Y658 VanDerWaalsContact O-CD2 3.32Å; V654-Y658 WeakPolarHBondContact O-CD2 3.49Å; V654-Y658 PolarHBondContact O-N 2.89Å |
| 655 | V | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 176.3 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | Y457 V597 I651 R653 A657 Y658 Q659 | Y457-V655 HydrophobicContact CD1-CB 4.37Å; Y457-V655 HydrophobicContact CD1-CG1 4.07Å; Y457-V655 HydrophobicContact CD1-CG2 3.49Å; Y457-V655 VanDerWaalsContact CD1-CG2 3.49Å; Y457-V655 HydrophobicContact CD2-CG1 4.4Å; Y457-V655 HydrophobicContact CD2-CG2 4.08Å; Y457-V655 HydrophobicContact CE1-CG2 3.68Å; Y457-V655 HydrophobicContact CE2-CG2 4.24Å; Y457-V655 HydrophobicContact CG-CB 4.37Å; Y457-V655 HydrophobicContact CG-CG1 3.7Å; Y457-V655 HydrophobicContact CG-CG2 3.68Å; V597-V655 HydrophobicContact CG1-CG2 4.1Å; V597-V655 HydrophobicContact CG2-CG2 3.74Å; I651-V655 HydrophobicContact CG2-CG2 4.12Å; I651-V655 VanDerWaalsContact O-CB 3.29Å; I651-V655 WeakPolarHBondContact O-CB 3.3Å; I651-V655 WeakPolarHBondContact O-CG2 3.3Å; I651-V655 PolarHBondContact O-N 2.84Å; R653-V655 VanDerWaalsContact C-N 3.32Å; R653-V655 PolarHBondContact O-N 3.32Å; V655-A657 PolarHBondContact O-N 2.96Å; V655-Y658 PolarHBondContact O-N 2.92Å; V655-Y658 VanDerWaalsContact O-N 3.15Å; V655-Q659 HydrophobicContact CG1-CG 3.94Å; V655-Q659 WeakPolarHBondContact O-CB 3.39Å; V655-Q659 VanDerWaalsContact O-CG 3.24Å; V655-Q659 WeakPolarHBondContact O-CG 3.27Å; V655-Q659 PolarHBondContact O-N 3.03Å |
| 656 | L | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.1 | -39 | -179.8 | -177.6 | 60.2 | 0 | 0 | 0 | 111.3 | I405 V441 G652 R653 V654 Y658 Q659 L660 F671 I677 L681 | I405-L656 HydrophobicContact CD1-CD1 3.58Å; I405-L656 HydrophobicContact CD1-CD2 3.87Å; I405-L656 HydrophobicContact CD1-CG 4.41Å; I405-L656 HydrophobicContact CG1-CD1 4.43Å; V441-L656 HydrophobicContact CG2-CD1 3.79Å; G652-L656 WeakPolarHBondContact O-CB 3.3Å; G652-L656 PolarHBondContact O-N 3.49Å; R653-L656 PolarHBondContact O-N 3.07Å; V654-L656 VanDerWaalsContact C-N 3.34Å; V654-L656 PolarHBondContact O-N 3.35Å; L656-Y658 PolarHBondContact O-N 2.83Å; L656-Q659 PolarHBondContact O-N 2.79Å; L656-L660 HydrophobicContact CD1-CD1 4.02Å; L656-L660 HydrophobicContact CD1-CD2 4.33Å; L656-L660 HydrophobicContact CD1-CG 3.89Å; L656-L660 HydrophobicContact CD2-CD1 4.4Å; L656-L660 HydrophobicContact CG-CD1 3.82Å; L656-L660 HydrophobicContact CG-CG 4.16Å; L656-L660 WeakPolarHBondContact O-CB 3.34Å; L656-L660 VanDerWaalsContact O-CG 3.22Å; L656-L660 WeakPolarHBondContact O-CG 3.41Å; L656-L660 PolarHBondContact O-N 3.2Å; L656-F671 HydrophobicContact CB-CE1 4.25Å; L656-F671 HydrophobicContact CB-CZ 4.44Å; L656-F671 HydrophobicContact CD2-CE1 4.38Å; L656-F671 HydrophobicContact CD2-CZ 4.2Å; L656-F671 HydrophobicContact CG-CE1 4.25Å; L656-I677 HydrophobicContact CD2-CD1 4.27Å; L656-I677 HydrophobicContact CD2-CG1 3.98Å; L656-L681 HydrophobicContact CB-CD2 4.21Å; L656-L681 HydrophobicContact CD2-CB 4.3Å; L656-L681 HydrophobicContact CD2-CD1 4.12Å; L656-L681 HydrophobicContact CD2-CD2 3.82Å; L656-L681 HydrophobicContact CD2-CG 4.3Å |
| 657 | A | 93.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 3% | 0.033 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R653 V654 V655 Y661 P669 F671 | R653-A657 PolarHBondContact O-N 3.3Å; R653-A657 VanDerWaalsContact O-N 3.09Å; V654-A657 WeakPolarHBondContact O-CB 3.15Å; V654-A657 PolarHBondContact O-N 2.97Å; V655-A657 PolarHBondContact O-N 2.96Å; A657-Y661 VanDerWaalsContact O-CB 3.3Å; A657-Y661 WeakPolarHBondContact O-CB 3.04Å; A657-Y661 PolarHBondContact O-N 3.43Å; A657-P669 VanDerWaalsContact CB-O 3.26Å; A657-P669 WeakPolarHBondContact CB-O 3.32Å; A657-F671 HydrophobicContact CB-CD1 3.74Å; A657-F671 HydrophobicContact CB-CE1 3.62Å |
| 658 | Y | 91.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 7% | 0.071 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.7 | -39.3 | 173.5 | -77.7 | -69.7 | 0 | 0 | 0 | 113.5 | D594 V597 I602 I623 F625 V654 V655 L656 Y661 G662 P669 | D594-Y658 WeakPolarHBondContact OD1-CE2 3.42Å; D594-Y658 PolarHBondContact OD1-OH 3.49Å; V597-Y658 HydrophobicContact CG1-CD2 4.11Å; V597-Y658 HydrophobicContact CG1-CE2 4.42Å; I602-Y658 VanDerWaalsContact CD1-CB 3.41Å; I602-Y658 HydrophobicContact CD1-CD2 4.46Å; I602-Y658 HydrophobicContact CD1-CG 4.13Å; I623-Y658 HydrophobicContact CG2-CD1 3.95Å; I623-Y658 HydrophobicContact CG2-CE1 4.08Å; F625-Y658 AromaticContact CE2-CD1 3.55Å; F625-Y658 HydrophobicContact CE2-CD1 3.55Å; F625-Y658 HydrophobicContact CE2-CD2 4.44Å; F625-Y658 AromaticContact CE2-CE1 3.86Å; F625-Y658 HydrophobicContact CE2-CE1 3.86Å; F625-Y658 AromaticContact CE2-CG 3.87Å; F625-Y658 HydrophobicContact CE2-CG 3.87Å; F625-Y658 AromaticContact CZ-CD1 3.94Å; F625-Y658 HydrophobicContact CZ-CD1 3.94Å; F625-Y658 AromaticContact CZ-CE1 3.75Å; F625-Y658 HydrophobicContact CZ-CE1 3.75Å; F625-Y658 HydrophobicContact CZ-CE2 4.4Å; F625-Y658 HydrophobicContact CZ-CG 4.34Å; F625-Y658 AromaticContact CZ-CZ 3.99Å; V654-Y658 HydrophobicContact CG1-CD2 3.98Å; V654-Y658 HydrophobicContact CG1-CE2 3.83Å; V654-Y658 VanDerWaalsContact O-CD2 3.32Å; V654-Y658 WeakPolarHBondContact O-CD2 3.49Å; V654-Y658 PolarHBondContact O-N 2.89Å; V655-Y658 PolarHBondContact O-N 2.92Å; V655-Y658 VanDerWaalsContact O-N 3.15Å; L656-Y658 PolarHBondContact O-N 2.83Å; Y658-Y661 PolarHBondContact O-N 3.2Å; Y658-G662 PolarHBondContact O-N 3.32Å; Y658-P669 HydrophobicContact CD1-CB 3.58Å; Y658-P669 HydrophobicContact CD1-CG 4.22Å; Y658-P669 HydrophobicContact CE1-CB 3.7Å; Y658-P669 HydrophobicContact CE1-CG 3.85Å; Y658-P669 HydrophobicContact CG-CB 4.12Å |
| 659 | Q | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 177.6 | -70.8 | -177.9 | -53.5 | 0 | 0 | 110.8 | Q439 V441 S455 I602 V655 L656 G662 L663 | Q439-Q659 PolarHBondContact O-NE2 3.14Å; Q439-Q659 VanDerWaalsContact O-NE2 3.13Å; V441-Q659 HydrophobicContact CG2-CB 4.12Å; V441-Q659 VanDerWaalsContact CG2-OE1 3.29Å; S455-Q659 WeakPolarHBondContact OG-CG 3.5Å; S455-Q659 PolarHBondContact OG-NE2 2.95Å; I602-Q659 HydrophobicContact CG2-CG 4.17Å; V655-Q659 HydrophobicContact CG1-CG 3.94Å; V655-Q659 WeakPolarHBondContact O-CB 3.39Å; V655-Q659 VanDerWaalsContact O-CG 3.24Å; V655-Q659 WeakPolarHBondContact O-CG 3.27Å; V655-Q659 PolarHBondContact O-N 3.03Å; L656-Q659 PolarHBondContact O-N 2.79Å; Q659-G662 PolarHBondContact O-N 2.91Å; Q659-L663 VanDerWaalsContact O-CB 3.3Å; Q659-L663 WeakPolarHBondContact O-CB 3.46Å; Q659-L663 WeakPolarHBondContact O-CG 3.44Å; Q659-L663 PolarHBondContact O-N 3.48Å |
| 660 | L | 89.2 | Confident | 89.2 | Confident | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 177.9 | -66.5 | 172.3 | 0 | 0 | 0 | 111.7 | M403 L656 G664 F665 L666 I677 | M403-L660 HydrophobicContact CE-CD2 3.88Å; M403-L660 HydrophobicContact SD-CD2 3.59Å; M403-L660 VanDerWaalsContact SD-CD2 3.59Å; L656-L660 HydrophobicContact CD1-CD1 4.02Å; L656-L660 HydrophobicContact CD1-CD2 4.33Å; L656-L660 HydrophobicContact CD1-CG 3.89Å; L656-L660 HydrophobicContact CD2-CD1 4.4Å; L656-L660 HydrophobicContact CG-CD1 3.82Å; L656-L660 HydrophobicContact CG-CG 4.16Å; L656-L660 WeakPolarHBondContact O-CB 3.34Å; L656-L660 VanDerWaalsContact O-CG 3.22Å; L656-L660 WeakPolarHBondContact O-CG 3.41Å; L656-L660 PolarHBondContact O-N 3.2Å; L660-G664 PolarHBondContact O-N 3.03Å; L660-G664 VanDerWaalsContact O-N 3.16Å; L660-F665 HydrophobicContact CB-CB 4.18Å; L660-F665 HydrophobicContact CD2-CB 4.32Å; L660-F665 WeakPolarHBondContact O-CA 3.32Å; L660-F665 WeakPolarHBondContact O-CB 3.4Å; L660-F665 PolarHBondContact O-N 3.38Å; L660-L666 HydrophobicContact CB-CD1 3.74Å; L660-L666 HydrophobicContact CB-CG 3.84Å; L660-L666 HydrophobicContact CD1-CD1 4.12Å; L660-L666 PolarHBondContact O-N 3.38Å; L660-I677 HydrophobicContact CD1-CD1 3.43Å; L660-I677 VanDerWaalsContact CD1-CD1 3.43Å |
| 661 | Y | 86.2 | Confident | 88.7 | Confident | 26 Ų | 26 | 28.6 Ų | 28.6 | 10% | 0.102 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -50.7 | 173.9 | 177 | -91.7 | 0 | 0 | 0 | 111.9 | K619 T622 I623 A657 Y658 L663 G664 L666 A667 P669 | K619-Y661 HydrophobicContact CB-CE1 4.2Å; K619-Y661 HydrophobicContact CG-CE1 4.41Å; T622-Y661 PolarHBondContact OG1-OH 3Å; I623-Y661 HydrophobicContact CD1-CD1 3.45Å; I623-Y661 VanDerWaalsContact CD1-CD1 3.45Å; I623-Y661 HydrophobicContact CD1-CE1 3.53Å; I623-Y661 HydrophobicContact CG1-CD1 3.53Å; I623-Y661 HydrophobicContact CG1-CE1 3.24Å; A657-Y661 VanDerWaalsContact O-CB 3.3Å; A657-Y661 WeakPolarHBondContact O-CB 3.04Å; A657-Y661 PolarHBondContact O-N 3.43Å; Y658-Y661 PolarHBondContact O-N 3.2Å; Y661-L663 VanDerWaalsContact C-N 3.31Å; Y661-L663 PolarHBondContact O-N 3.43Å; Y661-G664 WeakPolarHBondContact O-CA 3.11Å; Y661-G664 PolarHBondContact O-N 2.78Å; Y661-L666 WeakPolarHBondContact CD2-O 3.49Å; Y661-A667 VanDerWaalsContact CE2-O 3.23Å; Y661-A667 WeakPolarHBondContact CE2-O 3.37Å; Y661-P669 HydrophobicContact CG-CB 4.19Å |
| 662 | G | 80.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -35.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H620 Y658 Q659 G664 | H620-G662 PolarHBondContact CE1-O 3.11Å; Y658-G662 PolarHBondContact O-N 3.32Å; Q659-G662 PolarHBondContact O-N 2.91Å; G662-G664 PolarHBondContact O-N 2.72Å |
| 663 | L | 82.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -7.2 | 173.9 | -67 | 172.3 | 0 | 0 | 0 | 113.5 | V441 R453 F604 Q659 Y661 F665 | V441-L663 HydrophobicContact CB-CD1 3.96Å; V441-L663 HydrophobicContact CG1-CD1 3.5Å; R453-L663 HydrophobicContact CB-CD2 3.64Å; F604-L663 HydrophobicContact CE1-CG 4.47Å; Q659-L663 VanDerWaalsContact O-CB 3.3Å; Q659-L663 WeakPolarHBondContact O-CB 3.46Å; Q659-L663 WeakPolarHBondContact O-CG 3.44Å; Q659-L663 PolarHBondContact O-N 3.48Å; Y661-L663 VanDerWaalsContact C-N 3.31Å; Y661-L663 PolarHBondContact O-N 3.43Å; L663-F665 HydrophobicContact CB-CD2 3.62Å; L663-F665 HydrophobicContact CB-CE2 3.82Å |
| 664 | G | 79.2 | Confident | 86.7 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 35% | 0.351 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 13.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L660 Y661 G662 | L660-G664 PolarHBondContact O-N 3.03Å; L660-G664 VanDerWaalsContact O-N 3.16Å; Y661-G664 WeakPolarHBondContact O-CA 3.11Å; Y661-G664 PolarHBondContact O-N 2.78Å; G662-G664 PolarHBondContact O-N 2.72Å |
| 665 | F | 80.1 | Confident | 86.4 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -87.4 | -27.5 | -178.1 | -71.7 | -88.2 | 0 | 0 | 0 | 114.1 | M401 M403 L660 L663 | M401-F665 HydrophobicContact CB-CE1 3.64Å; M401-F665 HydrophobicContact CB-CZ 3.8Å; M401-F665 HydrophobicContact CG-CE1 4.41Å; M403-F665 HydrophobicContact CE-CB 4.42Å; M403-F665 HydrophobicContact CE-CD1 3.18Å; M403-F665 HydrophobicContact CE-CD2 3.78Å; M403-F665 HydrophobicContact CE-CE1 3.07Å; M403-F665 HydrophobicContact CE-CE2 3.72Å; M403-F665 HydrophobicContact CE-CG 3.53Å; M403-F665 HydrophobicContact CE-CZ 3.38Å; L660-F665 HydrophobicContact CB-CB 4.18Å; L660-F665 HydrophobicContact CD2-CB 4.32Å; L660-F665 WeakPolarHBondContact O-CA 3.32Å; L660-F665 WeakPolarHBondContact O-CB 3.4Å; L660-F665 PolarHBondContact O-N 3.38Å; L663-F665 HydrophobicContact CB-CD2 3.62Å; L663-F665 HydrophobicContact CB-CE2 3.82Å |
| 666 | L | 83.5 | Confident | 86.1 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 22% | 0.22 | 28% | 0.275 | C | S | . | . | trans | -112.2 | 148.3 | 175 | -61.2 | 175.3 | 0 | 0 | 0 | 110.8 | L660 Y661 E668 F671 | L660-L666 HydrophobicContact CB-CD1 3.74Å; L660-L666 HydrophobicContact CB-CG 3.84Å; L660-L666 HydrophobicContact CD1-CD1 4.12Å; L660-L666 PolarHBondContact O-N 3.38Å; Y661-L666 WeakPolarHBondContact CD2-O 3.49Å; L666-E668 WeakPolarHBondContact CB-O 3.5Å; L666-F671 HydrophobicContact CD1-CD1 4.19Å | ||
| 667 | A | 81.6 | Confident | 85.8 | Confident | 86 Ų | 86 | 52 Ų | 52 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -80.3 | -23.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y661 | Y661-A667 VanDerWaalsContact CE2-O 3.23Å; Y661-A667 WeakPolarHBondContact CE2-O 3.37Å |
| 668 | E | 85.5 | Confident | 85.8 | Confident | 145 Ų | 145 | 51.8 Ų | 51.8 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -141.1 | 151.7 | 175.9 | -66.8 | -179.7 | -179.9 | 0 | 0 | 108.6 | L666 D670 | L666-E668 WeakPolarHBondContact CB-O 3.5Å; E668-D670 PolarHBondContact O-N 3.09Å |
| 669 | P | 88.1 | Confident | 85.7 | Confident | 49 Ų | 49 | 57.4 Ų | 57.4 | 32% | 0.318 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -77.6 | 51.9 | -179.2 | 34.7 | -37.1 | 0 | 0 | 0 | 112.1 | A657 Y658 Y661 | A657-P669 VanDerWaalsContact CB-O 3.26Å; A657-P669 WeakPolarHBondContact CB-O 3.32Å; Y658-P669 HydrophobicContact CD1-CB 3.58Å; Y658-P669 HydrophobicContact CD1-CG 4.22Å; Y658-P669 HydrophobicContact CE1-CB 3.7Å; Y658-P669 HydrophobicContact CE1-CG 3.85Å; Y658-P669 HydrophobicContact CG-CB 4.12Å; Y661-P669 HydrophobicContact CG-CB 4.19Å |
| 670 | D | 87.2 | Confident | 85.7 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | trans | -145.9 | 151.9 | 175.5 | -169.5 | 26.1 | 0 | 0 | 0 | 111.4 | E668 | E668-D670 PolarHBondContact O-N 3.09Š| ||
| 671 | F | 85.5 | Confident | 86 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | trans | -146.8 | 146.6 | 171.6 | 56.7 | -98.2 | 0 | 0 | 0 | 111.4 | R653 L656 A657 L666 I677 D678 | R653-F671 HydrophobicContact CG-CE2 3.82Å; R653-F671 HydrophobicContact CG-CZ 3.53Å; R653-F671 PolarHBondContact NH2-O 3.26Å; L656-F671 HydrophobicContact CB-CE1 4.25Å; L656-F671 HydrophobicContact CB-CZ 4.44Å; L656-F671 HydrophobicContact CD2-CE1 4.38Å; L656-F671 HydrophobicContact CD2-CZ 4.2Å; L656-F671 HydrophobicContact CG-CE1 4.25Å; A657-F671 HydrophobicContact CB-CD1 3.74Å; A657-F671 HydrophobicContact CB-CE1 3.62Å; L666-F671 HydrophobicContact CD1-CD1 4.19Å; F671-I677 HydrophobicContact CD2-CG2 3.81Å; F671-I677 HydrophobicContact CE2-CG2 4.13Å; F671-I677 HydrophobicContact CG-CG2 4.12Å; F671-D678 HydrophobicContact CD2-CB 4.27Å; F671-D678 HydrophobicContact CE2-CB 3.88Å | ||
| 672 | M | 84.2 | Confident | 86.4 | Confident | 156 Ų | 156 | 58.7 Ų | 58.7 | 77% | 0.768 | 31% | 0.312 | S | S | * | . | trans | -55.7 | 139.8 | -173.3 | -65.6 | 177.8 | 64.9 | 0 | 0 | 113.4 | S675 | M672-S675 WeakPolarHBondContact O-CB 3.29Å; M672-S675 PolarHBondContact O-N 3.49Å; M672-S675 PolarHBondContact O-OG 2.79Å | ||
| 673 | D | 82.2 | Confident | 86.9 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 137.6 | 169.9 | -71.3 | -11.7 | 0 | 0 | 0 | 111.2 | R653 S675 | R653-D673 IonicContact CZ-OD1 3.88Å; R653-D673 IonicContact NH1-OD1 3.51Å; R653-D673 PolarHBondContact NH1-OD1 3Å; R653-D673 IonicContact NH2-OD1 3.63Å; R653-D673 PolarHBondContact NH2-OD1 3.39Å; D673-S675 PolarHBondContact O-N 2.98Å; D673-S675 VanDerWaalsContact O-N 3.12Å |
| 674 | N | 82.3 | Confident | 87.5 | Confident | 77 Ų | 77 | 63 Ų | 63 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 11.8 | -179.7 | -47.7 | -67.7 | 0 | 0 | 0 | 115.4 | D678 R679 R709 | N674-D678 WeakPolarHBondContact CA-OD2 3.37Å; N674-D678 PolarHBondContact N-OD2 3.5Å; N674-R679 PolarHBondContact O-NE 3.08Å; N674-R709 PolarHBondContact OD1-NH1 3.23Å |
| 675 | S | 89.3 | Confident | 88.3 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | trans | -55.2 | 162.4 | 166.4 | 60 | 0 | 0 | 0 | 0 | 110.9 | M672 D673 I677 D678 R679 | M672-S675 WeakPolarHBondContact O-CB 3.29Å; M672-S675 PolarHBondContact O-N 3.49Å; M672-S675 PolarHBondContact O-OG 2.79Å; D673-S675 PolarHBondContact O-N 2.98Å; D673-S675 VanDerWaalsContact O-N 3.12Å; S675-I677 PolarHBondContact O-N 2.95Å; S675-I677 WeakPolarHBondContact OG-CG2 3.46Å; S675-D678 PolarHBondContact O-N 3.45Å; S675-D678 WeakPolarHBondContact OG-CB 3.3Å; S675-D678 PolarHBondContact OG-N 3.18Å; S675-R679 PolarHBondContact O-N 3.46Å | ||
| 676 | Q | 88.8 | Confident | 89 | Confident | 137 Ų | 137 | 59.9 Ų | 59.9 | 64% | 0.64 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.5 | -39 | 179.3 | -175.9 | 175.8 | -1.2 | 0 | 0 | 111.9 | R679 L680 | Q676-R679 PolarHBondContact O-N 3.19Å; Q676-L680 HydrophobicContact CG-CD1 4.11Å; Q676-L680 VanDerWaalsContact O-CG 3.3Å; Q676-L680 WeakPolarHBondContact O-CG 3.29Å; Q676-L680 PolarHBondContact O-N 3.48Å |
| 677 | I | 90.4 | Very high | 89.4 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.195 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 178.3 | -163.3 | 159.9 | 0 | 0 | 0 | 112.2 | L396 L656 L660 F671 S675 R679 L680 L681 | L396-I677 HydrophobicContact CD1-CD1 3.67Å; L396-I677 HydrophobicContact CD1-CG1 3.93Å; L656-I677 HydrophobicContact CD2-CD1 4.27Å; L656-I677 HydrophobicContact CD2-CG1 3.98Å; L660-I677 HydrophobicContact CD1-CD1 3.43Å; L660-I677 VanDerWaalsContact CD1-CD1 3.43Å; F671-I677 HydrophobicContact CD2-CG2 3.81Å; F671-I677 HydrophobicContact CE2-CG2 4.13Å; F671-I677 HydrophobicContact CG-CG2 4.12Å; S675-I677 PolarHBondContact O-N 2.95Å; S675-I677 WeakPolarHBondContact OG-CG2 3.46Å; I677-R679 VanDerWaalsContact C-N 3.35Å; I677-R679 PolarHBondContact O-N 3.14Å; I677-L680 PolarHBondContact O-N 3.31Å; I677-L681 WeakPolarHBondContact O-CB 3.36Å; I677-L681 PolarHBondContact O-N 3.26Å |
| 678 | D | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 174.3 | -176.8 | 62.4 | 0 | 0 | 0 | 111.4 | R653 F671 N674 S675 L681 Q682 R709 | R653-D678 WeakPolarHBondContact CD-OD1 3.38Å; R653-D678 IonicContact NE-OD1 3.18Å; R653-D678 PolarHBondContact NE-OD1 3.41Å; F671-D678 HydrophobicContact CD2-CB 4.27Å; F671-D678 HydrophobicContact CE2-CB 3.88Å; N674-D678 WeakPolarHBondContact CA-OD2 3.37Å; N674-D678 PolarHBondContact N-OD2 3.5Å; S675-D678 PolarHBondContact O-N 3.45Å; S675-D678 WeakPolarHBondContact OG-CB 3.3Å; S675-D678 PolarHBondContact OG-N 3.18Å; D678-L681 PolarHBondContact O-N 3.26Å; D678-Q682 VanDerWaalsContact O-CB 3.31Å; D678-Q682 WeakPolarHBondContact O-CB 3.3Å; D678-Q682 PolarHBondContact O-N 3.11Å; D678-R709 IonicContact OD1-NH2 3.5Å; D678-R709 PolarHBondContact OD1-NH2 3.1Å; D678-R709 IonicContact OD2-CZ 3.16Å; D678-R709 VanDerWaalsContact OD2-CZ 3.25Å; D678-R709 IonicContact OD2-NH1 3.25Å; D678-R709 PolarHBondContact OD2-NH1 3.25Å; D678-R709 IonicContact OD2-NH2 2.64Å; D678-R709 PolarHBondContact OD2-NH2 3.14Å |
| 679 | R | 90.9 | Very high | 90.4 | Very high | 137 Ų | 137 | 52 Ų | 52 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 176.5 | -73.8 | -173.9 | -78.1 | 145 | -4.3 | 112.4 | N674 S675 Q676 I677 L681 Q682 D683 | N674-R679 PolarHBondContact O-NE 3.08Å; S675-R679 PolarHBondContact O-N 3.46Å; Q676-R679 PolarHBondContact O-N 3.19Å; I677-R679 VanDerWaalsContact C-N 3.35Å; I677-R679 PolarHBondContact O-N 3.14Å; R679-L681 VanDerWaalsContact C-N 3.33Å; R679-L681 PolarHBondContact O-N 3.26Å; R679-Q682 WeakPolarHBondContact O-CB 3.44Å; R679-Q682 PolarHBondContact O-N 3.23Å; R679-D683 VanDerWaalsContact O-CG 3.23Å; R679-D683 PolarHBondContact O-N 2.87Å |
| 680 | L | 91.7 | Very high | 90.5 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 177.4 | -71.2 | 171.2 | 0 | 0 | 0 | 111.9 | I394 L396 Q676 I677 Q682 D683 L684 | I394-L680 HydrophobicContact CD1-CB 3.75Å; L396-L680 HydrophobicContact CD2-CD1 3.39Å; Q676-L680 HydrophobicContact CG-CD1 4.11Å; Q676-L680 VanDerWaalsContact O-CG 3.3Å; Q676-L680 WeakPolarHBondContact O-CG 3.29Å; Q676-L680 PolarHBondContact O-N 3.48Å; I677-L680 PolarHBondContact O-N 3.31Å; L680-Q682 VanDerWaalsContact C-N 3.34Å; L680-D683 PolarHBondContact O-N 3.16Å; L680-L684 PolarHBondContact O-N 2.98Å; L680-L684 VanDerWaalsContact O-N 3.11Å |
| 681 | L | 94.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 173.1 | -174.6 | 67.5 | 0 | 0 | 0 | 111.3 | F649 R653 L656 I677 D678 R679 D683 L684 Y685 | F649-L681 HydrophobicContact CD2-CG 4.44Å; F649-L681 HydrophobicContact CE2-CB 4.46Å; F649-L681 HydrophobicContact CE2-CD2 4.18Å; F649-L681 HydrophobicContact CE2-CG 4.14Å; R653-L681 VanDerWaalsContact CA-CD2 3.46Å; R653-L681 HydrophobicContact CB-CD2 3.93Å; R653-L681 HydrophobicContact CG-CD2 4.38Å; L656-L681 HydrophobicContact CB-CD2 4.21Å; L656-L681 HydrophobicContact CD2-CB 4.3Å; L656-L681 HydrophobicContact CD2-CD1 4.12Å; L656-L681 HydrophobicContact CD2-CD2 3.82Å; L656-L681 HydrophobicContact CD2-CG 4.3Å; I677-L681 WeakPolarHBondContact O-CB 3.36Å; I677-L681 PolarHBondContact O-N 3.26Å; D678-L681 PolarHBondContact O-N 3.26Å; R679-L681 VanDerWaalsContact C-N 3.33Å; R679-L681 PolarHBondContact O-N 3.26Å; L681-D683 VanDerWaalsContact C-N 3.35Å; L681-L684 WeakPolarHBondContact O-CB 3.46Å; L681-L684 PolarHBondContact O-N 3.33Å; L681-Y685 HydrophobicContact CD1-CD2 3.95Å; L681-Y685 HydrophobicContact CD1-CE2 3.7Å; L681-Y685 HydrophobicContact CG-CD2 4.04Å; L681-Y685 HydrophobicContact CG-CE2 4.13Å; L681-Y685 WeakPolarHBondContact O-CD2 3.45Å; L681-Y685 PolarHBondContact O-N 3.14Å |
| 682 | Q | 93.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 176.9 | -171.5 | -174.7 | -49.8 | 0 | 0 | 111.1 | F649 D678 R679 L680 L684 Y685 D686 I705 N706 | F649-Q682 HydrophobicContact CD2-CB 4.47Å; F649-Q682 HydrophobicContact CE2-CB 3.75Å; F649-Q682 HydrophobicContact CE2-CG 4.22Å; F649-Q682 HydrophobicContact CZ-CB 4.04Å; F649-Q682 HydrophobicContact CZ-CG 4.3Å; D678-Q682 VanDerWaalsContact O-CB 3.31Å; D678-Q682 WeakPolarHBondContact O-CB 3.3Å; D678-Q682 PolarHBondContact O-N 3.11Å; R679-Q682 WeakPolarHBondContact O-CB 3.44Å; R679-Q682 PolarHBondContact O-N 3.23Å; L680-Q682 VanDerWaalsContact C-N 3.34Å; Q682-L684 VanDerWaalsContact C-N 3.3Å; Q682-L684 PolarHBondContact O-N 3.36Å; Q682-Y685 CarbonylContact O-C 3.48Å; Q682-Y685 PolarHBondContact O-N 3.25Å; Q682-Y685 VanDerWaalsContact O-N 3.14Å; Q682-D686 PolarHBondContact NE2-OD2 2.84Å; Q682-D686 WeakPolarHBondContact O-CB 3.31Å; Q682-D686 PolarHBondContact O-N 3.43Å; Q682-I705 HydrophobicContact CG-CB 4.05Å; Q682-I705 HydrophobicContact CG-CD1 3.83Å; Q682-I705 HydrophobicContact CG-CG2 3.93Å; Q682-N706 PolarHBondContact NE2-ND2 3.48Å; Q682-N706 PolarHBondContact NE2-OD1 3.49Å |
| 683 | D | 92.3 | Very high | 91.5 | Very high | 97 Ų | 97 | 39 Ų | 39 | 52% | 0.519 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 178.1 | -67.7 | -23.3 | 0 | 0 | 0 | 111.1 | R679 L680 L681 D686 E687 | R679-D683 VanDerWaalsContact O-CG 3.23Å; R679-D683 PolarHBondContact O-N 2.87Å; L680-D683 PolarHBondContact O-N 3.16Å; L681-D683 VanDerWaalsContact C-N 3.35Å; D683-D686 PolarHBondContact O-N 3.45Å; D683-E687 PolarHBondContact O-N 2.81Å |
| 684 | L | 95 | Very high | 91.7 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -48.4 | 172.7 | -81.7 | 179.4 | 0 | 0 | 0 | 112.7 | I394 I405 L407 L680 L681 Q682 E687 H688 | I394-L684 HydrophobicContact CD1-CD1 3.54Å; I394-L684 HydrophobicContact CD1-CG 4.13Å; I394-L684 HydrophobicContact CG1-CD1 3.76Å; I394-L684 HydrophobicContact CG1-CG 4.4Å; I394-L684 HydrophobicContact CG2-CD1 4.23Å; I394-L684 HydrophobicContact CG2-CD2 3.89Å; I394-L684 HydrophobicContact CG2-CG 3.93Å; I405-L684 HydrophobicContact CG2-CD1 4.07Å; L407-L684 HydrophobicContact CD2-CB 4.38Å; L680-L684 PolarHBondContact O-N 2.98Å; L680-L684 VanDerWaalsContact O-N 3.11Å; L681-L684 WeakPolarHBondContact O-CB 3.46Å; L681-L684 PolarHBondContact O-N 3.33Å; Q682-L684 VanDerWaalsContact C-N 3.3Å; Q682-L684 PolarHBondContact O-N 3.36Å; L684-E687 PolarHBondContact O-N 3.34Å; L684-H688 VanDerWaalsContact O-CB 3.27Å; L684-H688 WeakPolarHBondContact O-CB 3.48Å; L684-H688 PolarHBondContact O-N 3.29Å |
| 685 | Y | 96.4 | Very high | 92 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.8 | -27.4 | -179.5 | -85.7 | -88.2 | 0 | 0 | 0 | 113.1 | L407 Q439 Q459 N645 Q648 F649 G652 L681 Q682 G689 | L407-Y685 HydrophobicContact CD1-CE1 4.28Å; L407-Y685 HydrophobicContact CD1-CE2 4.18Å; L407-Y685 HydrophobicContact CD2-CD1 4.18Å; L407-Y685 HydrophobicContact CD2-CD2 4.14Å; L407-Y685 HydrophobicContact CD2-CE1 4.16Å; L407-Y685 HydrophobicContact CD2-CE2 4.13Å; L407-Y685 HydrophobicContact CD2-CG 4.17Å; Q439-Y685 PolarHBondContact OE1-OH 2.84Å; Q459-Y685 PolarHBondContact NE2-OH 2.91Å; Q459-Y685 VanDerWaalsContact NE2-OH 3.13Å; N645-Y685 PolarHBondContact ND2-O 3.38Å; N645-Y685 PolarHBondContact OD1-O 3.31Å; Q648-Y685 HydrophobicContact CB-CD1 4.37Å; Q648-Y685 HydrophobicContact CB-CE1 4.1Å; Q648-Y685 VanDerWaalsContact O-CE1 3.3Å; Q648-Y685 WeakPolarHBondContact O-CE1 3.19Å; F649-Y685 HydrophobicContact CB-CD1 4.16Å; F649-Y685 HydrophobicContact CB-CD2 4.49Å; F649-Y685 HydrophobicContact CB-CG 3.94Å; F649-Y685 AromaticContact CD2-CD2 3.96Å; F649-Y685 HydrophobicContact CD2-CD2 3.96Å; F649-Y685 HydrophobicContact CD2-CG 4.09Å; G652-Y685 VanDerWaalsContact CA-OH 3.26Å; G652-Y685 WeakPolarHBondContact CA-OH 3.43Å; L681-Y685 HydrophobicContact CD1-CD2 3.95Å; L681-Y685 HydrophobicContact CD1-CE2 3.7Å; L681-Y685 HydrophobicContact CG-CD2 4.04Å; L681-Y685 HydrophobicContact CG-CE2 4.13Å; L681-Y685 WeakPolarHBondContact O-CD2 3.45Å; L681-Y685 PolarHBondContact O-N 3.14Å; Q682-Y685 CarbonylContact O-C 3.48Å; Q682-Y685 PolarHBondContact O-N 3.25Å; Q682-Y685 VanDerWaalsContact O-N 3.14Å; Y685-G689 PolarHBondContact O-N 3.14Å |
| 686 | D | 93 | Very high | 91.9 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.1 | -45.2 | 172 | -85.2 | -30.2 | 0 | 0 | 0 | 110 | Q682 D683 G689 D690 I705 | Q682-D686 PolarHBondContact NE2-OD2 2.84Å; Q682-D686 WeakPolarHBondContact O-CB 3.31Å; Q682-D686 PolarHBondContact O-N 3.43Å; D683-D686 PolarHBondContact O-N 3.45Å; D686-G689 PolarHBondContact O-N 2.98Å; D686-D690 WeakPolarHBondContact O-CB 3.48Å; D686-D690 PolarHBondContact O-N 2.97Å; D686-I705 WeakPolarHBondContact OD1-CD1 2.91Å; D686-I705 PolarHBondContact OD1-N 2.98Å |
| 687 | E | 92.1 | Very high | 91.4 | Very high | 104 Ų | 104 | 28.7 Ų | 28.7 | 49% | 0.486 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63 | -46.9 | 174.6 | -174.4 | -175.5 | -167.6 | 0 | 0 | 112.2 | S392 D683 L684 G689 D690 T691 | S392-E687 WeakPolarHBondContact CB-OE2 3.33Å; S392-E687 PolarHBondContact OG-OE2 3.12Å; D683-E687 PolarHBondContact O-N 2.81Å; L684-E687 PolarHBondContact O-N 3.34Å; E687-G689 VanDerWaalsContact C-N 3.31Å; E687-G689 PolarHBondContact O-N 2.94Å; E687-D690 PolarHBondContact O-N 2.9Å; E687-T691 WeakPolarHBondContact O-CB 3.39Å; E687-T691 PolarHBondContact O-N 3.23Å; E687-T691 PolarHBondContact O-OG1 3.42Å |
| 688 | H | 94.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.2 | -47.7 | 173.7 | 162.5 | -86.8 | 0 | 0 | 0 | 111.5 | L407 T437 N645 L684 L692 | L407-H688 HydrophobicContact CD2-CB 3.76Å; T437-H688 WeakPolarHBondContact CG2-NE2 3.43Å; T437-H688 PolarHBondContact OG1-NE2 2.83Å; N645-H688 PolarHBondContact OD1-ND1 2.82Å; N645-H688 VanDerWaalsContact OD1-ND1 3.13Å; L684-H688 VanDerWaalsContact O-CB 3.27Å; L684-H688 WeakPolarHBondContact O-CB 3.48Å; L684-H688 PolarHBondContact O-N 3.29Å; H688-L692 VanDerWaalsContact CE1-CD1 3.49Å; H688-L692 WeakPolarHBondContact CE1-CD1 3.44Å; H688-L692 WeakPolarHBondContact NE2-CD1 3.2Å; H688-L692 VanDerWaalsContact O-CG 3.29Å; H688-L692 WeakPolarHBondContact O-CG 3.49Å; H688-L692 PolarHBondContact O-N 3.29Å; H688-L692 VanDerWaalsContact O-N 3.12Å |
| 689 | G | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | N645 Y685 D686 E687 A693 | N645-G689 VanDerWaalsContact CG-CA 3.42Å; N645-G689 WeakPolarHBondContact OD1-CA 3.22Å; N645-G689 PolarHBondContact OD1-N 2.87Å; Y685-G689 PolarHBondContact O-N 3.14Å; D686-G689 PolarHBondContact O-N 2.98Å; E687-G689 VanDerWaalsContact C-N 3.31Å; E687-G689 PolarHBondContact O-N 2.94Å; G689-A693 VanDerWaalsContact O-CB 3.23Å; G689-A693 WeakPolarHBondContact O-CB 3.39Å; G689-A693 PolarHBondContact O-N 2.85Å |
| 690 | D | 91.1 | Very high | 89.2 | Confident | 21 Ų | 21 | 24 Ų | 24 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 179.1 | -86 | -3.1 | 0 | 0 | 0 | 111.6 | D686 E687 A693 L694 Q700 L701 R719 | D686-D690 WeakPolarHBondContact O-CB 3.48Å; D686-D690 PolarHBondContact O-N 2.97Å; E687-D690 PolarHBondContact O-N 2.9Å; D690-A693 PolarHBondContact O-N 3.33Å; D690-L694 WeakPolarHBondContact O-CB 3.28Å; D690-L694 PolarHBondContact O-N 2.86Å; D690-Q700 HydrophobicContact CB-CB 4.16Å; D690-Q700 HydrophobicContact CB-CG 4.03Å; D690-L701 VanDerWaalsContact OD1-CB 3.25Å; D690-L701 WeakPolarHBondContact OD1-CB 3.46Å; D690-L701 WeakPolarHBondContact OD1-CG 3.09Å; D690-L701 PolarHBondContact OD1-N 2.93Å; D690-R719 IonicContact OD1-NH2 3Å; D690-R719 PolarHBondContact OD1-NH2 3.27Å; D690-R719 IonicContact OD2-CZ 3.84Å; D690-R719 IonicContact OD2-NH2 3.44Å; D690-R719 PolarHBondContact OD2-NH2 3.01Å |
| 691 | T | 92.9 | Very high | 87.8 | Confident | 21 Ų | 21 | 21.8 Ų | 21.8 | 13% | 0.129 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -51.2 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | N311 G389 E687 A693 L694 Q695 | N311-T691 HydrophobicContact CB-CG2 4.23Å; N311-T691 WeakPolarHBondContact OD1-CG2 3.4Å; G389-T691 WeakPolarHBondContact O-CG2 3.32Å; E687-T691 WeakPolarHBondContact O-CB 3.39Å; E687-T691 PolarHBondContact O-N 3.23Å; E687-T691 PolarHBondContact O-OG1 3.42Å; T691-A693 VanDerWaalsContact C-N 3.32Å; T691-A693 PolarHBondContact O-N 2.96Å; T691-L694 WeakPolarHBondContact O-CB 3.37Å; T691-L694 PolarHBondContact O-N 3.13Å; T691-Q695 WeakPolarHBondContact O-CG 3.35Å; T691-Q695 PolarHBondContact O-N 3.2Å; T691-Q695 VanDerWaalsContact O-N 3.13Å |
| 692 | L | 93.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71 | -29.3 | -178.4 | -60.5 | 172.6 | 0 | 0 | 0 | 112.5 | A409 V435 R461 H688 Q695 Y696 | A409-L692 HydrophobicContact CB-CD1 4.14Å; A409-L692 HydrophobicContact CB-CD2 4.31Å; V435-L692 HydrophobicContact CG1-CD1 3.98Å; V435-L692 HydrophobicContact CG1-CD2 4.25Å; V435-L692 HydrophobicContact CG2-CD2 4.32Å; R461-L692 VanDerWaalsContact NH2-CD1 3.25Å; H688-L692 VanDerWaalsContact CE1-CD1 3.49Å; H688-L692 WeakPolarHBondContact CE1-CD1 3.44Å; H688-L692 WeakPolarHBondContact NE2-CD1 3.2Å; H688-L692 VanDerWaalsContact O-CG 3.29Å; H688-L692 WeakPolarHBondContact O-CG 3.49Å; H688-L692 PolarHBondContact O-N 3.29Å; H688-L692 VanDerWaalsContact O-N 3.12Å; L692-Q695 PolarHBondContact O-N 3.14Å; L692-Y696 PolarHBondContact O-N 3.02Å; L692-Y696 VanDerWaalsContact O-N 3.12Å |
| 693 | A | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L641 G689 D690 T691 Q695 Y696 G697 G698 S699 L701 | L641-A693 HydrophobicContact CD2-CB 4.1Å; G689-A693 VanDerWaalsContact O-CB 3.23Å; G689-A693 WeakPolarHBondContact O-CB 3.39Å; G689-A693 PolarHBondContact O-N 2.85Å; D690-A693 PolarHBondContact O-N 3.33Å; T691-A693 VanDerWaalsContact C-N 3.32Å; T691-A693 PolarHBondContact O-N 2.96Å; A693-Q695 VanDerWaalsContact C-N 3.34Å; A693-Q695 PolarHBondContact O-N 2.87Å; A693-Y696 PolarHBondContact O-N 3.32Å; A693-G697 WeakPolarHBondContact O-CA 3.5Å; A693-G697 PolarHBondContact O-N 3.03Å; A693-G698 PolarHBondContact O-N 2.84Å; A693-S699 CarbonylContact C-O 3.59Å; A693-S699 WeakPolarHBondContact CB-O 3.48Å; A693-S699 VanDerWaalsContact O-O 3.11Å; A693-L701 HydrophobicContact CB-CD2 3.69Å; A693-L701 HydrophobicContact CB-CG 4.13Å |
| 694 | L | 87.5 | Confident | 84.3 | Confident | 83 Ų | 83 | 21.8 Ų | 21.8 | 44% | 0.435 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.4 | -175 | 68.5 | 0 | 0 | 0 | 110.9 | R418 D690 T691 Y696 G698 S699 | R418-L694 PolarHBondContact NH1-O 3.27Å; D690-L694 WeakPolarHBondContact O-CB 3.28Å; D690-L694 PolarHBondContact O-N 2.86Å; T691-L694 WeakPolarHBondContact O-CB 3.37Å; T691-L694 PolarHBondContact O-N 3.13Å; L694-Y696 PolarHBondContact O-N 3.28Å; L694-G698 VanDerWaalsContact O-CA 3.23Å; L694-G698 WeakPolarHBondContact O-CA 3.47Å; L694-G698 PolarHBondContact O-N 2.88Å; L694-S699 VanDerWaalsContact CA-O 3.31Å; L694-S699 WeakPolarHBondContact CA-O 3.3Å; L694-S699 PolarHBondContact N-O 3.02Å |
| 695 | Q | 87.6 | Confident | 83.3 | Confident | 14 Ų | 14 | 21.6 Ų | 21.6 | 7% | 0.065 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.2 | -33.1 | -180 | -71.6 | 173.9 | 8.2 | 0 | 0 | 114.3 | N311 H388 G389 R411 R418 T691 L692 A693 | N311-Q695 VanDerWaalsContact CB-NE2 3.28Å; N311-Q695 PolarHBondContact ND2-NE2 3.04Å; H388-Q695 PolarHBondContact NE2-NE2 3.31Å; G389-Q695 PolarHBondContact O-NE2 2.83Å; R411-Q695 PolarHBondContact NH1-O 3.22Å; R418-Q695 PolarHBondContact NH1-O 2.84Å; T691-Q695 WeakPolarHBondContact O-CG 3.35Å; T691-Q695 PolarHBondContact O-N 3.2Å; T691-Q695 VanDerWaalsContact O-N 3.13Å; L692-Q695 PolarHBondContact O-N 3.14Å; A693-Q695 VanDerWaalsContact C-N 3.34Å; A693-Q695 PolarHBondContact O-N 2.87Å |
| 696 | Y | 86.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -99.8 | -42.3 | -177.6 | -175.7 | -120.6 | 0 | 0 | 0 | 113.5 | G417 R419 K422 N433 D639 L641 L692 A693 L694 | G417-Y696 VanDerWaalsContact O-CD2 3.28Å; G417-Y696 WeakPolarHBondContact O-CD2 3.33Å; R419-Y696 VanDerWaalsContact CA-CZ 3.45Å; R419-Y696 HydrophobicContact CB-CD1 4.03Å; R419-Y696 HydrophobicContact CB-CE1 3.79Å; R419-Y696 HydrophobicContact CB-CE2 4.47Å; R419-Y696 HydrophobicContact CB-CG 4.49Å; R419-Y696 HydrophobicContact CG-CD1 4.31Å; R419-Y696 HydrophobicContact CG-CE1 3.78Å; R419-Y696 PolarHBondContact N-O 3.34Å; R419-Y696 PolarHBondContact O-OH 2.93Å; K422-Y696 PolarHBondContact O-OH 2.87Å; N433-Y696 HydrophobicContact CB-CD1 4.39Å; N433-Y696 HydrophobicContact CB-CD2 3.81Å; N433-Y696 HydrophobicContact CB-CE1 4.21Å; N433-Y696 HydrophobicContact CB-CE2 3.64Å; N433-Y696 HydrophobicContact CB-CG 4.2Å; N433-Y696 WeakPolarHBondContact ND2-CD1 3.37Å; D639-Y696 WeakPolarHBondContact O-CE1 3.47Å; L641-Y696 HydrophobicContact CD1-CD1 4.12Å; L641-Y696 HydrophobicContact CD2-CD1 3.87Å; L641-Y696 HydrophobicContact CG-CD1 4.02Å; L692-Y696 PolarHBondContact O-N 3.02Å; L692-Y696 VanDerWaalsContact O-N 3.12Å; A693-Y696 PolarHBondContact O-N 3.32Å; L694-Y696 PolarHBondContact O-N 3.28Å |
| 697 | G | 79.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -112.8 | -4.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A693 S699 R727 | A693-G697 WeakPolarHBondContact O-CA 3.5Å; A693-G697 PolarHBondContact O-N 3.03Å; G697-S699 VanDerWaalsContact C-N 3.28Å; G697-S699 PolarHBondContact O-N 3.13Å; G697-R727 WeakPolarHBondContact O-CG 3.21Å |
| 698 | G | 78.1 | Confident | 80.4 | Confident | 6 Ų | 6 | 20 Ų | 20 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 79.3 | 4.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | A693 L694 S730 | A693-G698 PolarHBondContact O-N 2.84Å; L694-G698 VanDerWaalsContact O-CA 3.23Å; L694-G698 WeakPolarHBondContact O-CA 3.47Å; L694-G698 PolarHBondContact O-N 2.88Å; G698-S730 PolarHBondContact O-OG 3.42Å |
| 699 | S | 74.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -139.5 | 163.8 | 174.4 | 82.3 | 0 | 0 | 0 | 0 | 109.3 | A693 L694 G697 Q723 R727 | A693-S699 CarbonylContact C-O 3.59Å; A693-S699 WeakPolarHBondContact CB-O 3.48Å; A693-S699 VanDerWaalsContact O-O 3.11Å; L694-S699 VanDerWaalsContact CA-O 3.31Å; L694-S699 WeakPolarHBondContact CA-O 3.3Å; L694-S699 PolarHBondContact N-O 3.02Å; G697-S699 VanDerWaalsContact C-N 3.28Å; G697-S699 PolarHBondContact O-N 3.13Å; S699-Q723 PolarHBondContact OG-O 2.85Å; S699-R727 WeakPolarHBondContact OG-CD 3.32Å; S699-R727 WeakPolarHBondContact OG-CG 3.25Å; S699-R727 PolarHBondContact OG-NE 2.92Å |
| 700 | Q | 72.9 | Confident | 78.6 | Confident | 69 Ų | 69 | 24 Ų | 24 | 32% | 0.322 | 12% | 0.12 | S | C | . | . | trans | -65.1 | 179.4 | 167.9 | -67.9 | 178.5 | -16.1 | 0 | 0 | 111.1 | D690 V702 Q723 R727 | D690-Q700 HydrophobicContact CB-CB 4.16Å; D690-Q700 HydrophobicContact CB-CG 4.03Å; Q700-V702 PolarHBondContact O-N 3.42Å; Q700-Q723 HydrophobicContact CB-CG 4.5Å; Q700-Q723 VanDerWaalsContact N-OE1 3.08Å; Q700-R727 PolarHBondContact O-NH2 2.78Å; Q700-R727 VanDerWaalsContact O-NH2 3.14Å | ||
| 701 | L | 62.5 | Low | 77.3 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -60.5 | 139.9 | 174.4 | -65.3 | 177.4 | 0 | 0 | 0 | 110.6 | L641 D642 N645 D690 A693 | L641-L701 HydrophobicContact CB-CD2 4.41Å; D642-L701 HydrophobicContact CB-CD2 4.48Å; D642-L701 WeakPolarHBondContact OD1-CA 3.29Å; D642-L701 WeakPolarHBondContact OD1-CD2 3.35Å; N645-L701 HydrophobicContact CB-CD1 4.06Å; D690-L701 VanDerWaalsContact OD1-CB 3.25Å; D690-L701 WeakPolarHBondContact OD1-CB 3.46Å; D690-L701 WeakPolarHBondContact OD1-CG 3.09Å; D690-L701 PolarHBondContact OD1-N 2.93Å; A693-L701 HydrophobicContact CB-CD2 3.69Å; A693-L701 HydrophobicContact CB-CG 4.13Å | ||
| 702 | V | 59.6 | Low | 75.8 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -86.5 | -32.6 | 173.1 | 173 | 0 | 0 | 0 | 0 | 109.5 | D642 Q700 D720 Q723 T724 | D642-V702 PolarHBondContact OD1-N 3.42Å; Q700-V702 PolarHBondContact O-N 3.42Å; V702-D720 HydrophobicContact CG1-CB 4.33Å; V702-Q723 HydrophobicContact CG2-CB 3.91Å; V702-T724 WeakPolarHBondContact CG1-OG1 3.08Å |
| 703 | H | 68.3 | Low | 74 | Confident | 75 Ų | 75 | 38.8 Ų | 38.8 | 35% | 0.347 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -125.8 | 111.5 | 174.2 | -60.3 | -41.6 | 0 | 0 | 0 | 109.4 | D642 T707 Y708 D720 | D642-H703 HydrophobicContact CB-CB 4.24Å; D642-H703 PolarHBondContact OD1-N 3.44Å; H703-T707 HydrophobicContact CB-CG2 4.22Å; H703-Y708 HydrophobicContact CB-CE2 3.93Å; H703-D720 IonicContact ND1-OD2 3.18Å |
| 704 | N | 78.6 | Confident | 72.3 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | trans | -84.9 | 174 | 176.9 | -68.6 | 43.4 | 0 | 0 | 0 | 110.9 | N706 T707 Y708 | N704-N706 PolarHBondContact O-N 3.16Å; N704-T707 VanDerWaalsContact O-CB 3.28Å; N704-T707 WeakPolarHBondContact O-CB 2.97Å; N704-T707 PolarHBondContact O-N 3.01Å; N704-Y708 WeakPolarHBondContact O-CD2 3.14Å | ||
| 705 | I | 74 | Confident | 71.1 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.4 | -38.6 | -177.6 | -64.4 | 160 | 0 | 0 | 0 | 111.5 | F649 Q682 D686 T707 Y708 R709 | F649-I705 HydrophobicContact CB-CD1 3.6Å; F649-I705 HydrophobicContact CB-CG1 4.12Å; F649-I705 HydrophobicContact CD1-CD1 4.12Å; F649-I705 HydrophobicContact CD1-CG1 4.31Å; F649-I705 HydrophobicContact CD1-CG2 3.52Å; F649-I705 HydrophobicContact CD2-CD1 3.92Å; F649-I705 HydrophobicContact CE1-CG2 3.66Å; F649-I705 HydrophobicContact CG-CD1 3.59Å; F649-I705 HydrophobicContact CG-CG1 4.21Å; F649-I705 HydrophobicContact CG-CG2 4.17Å; F649-I705 HydrophobicContact CZ-CG2 4.41Å; Q682-I705 HydrophobicContact CG-CB 4.05Å; Q682-I705 HydrophobicContact CG-CD1 3.83Å; Q682-I705 HydrophobicContact CG-CG2 3.93Å; D686-I705 WeakPolarHBondContact OD1-CD1 2.91Å; D686-I705 PolarHBondContact OD1-N 2.98Å; I705-T707 PolarHBondContact O-N 3.1Å; I705-Y708 PolarHBondContact O-N 2.85Å; I705-R709 PolarHBondContact O-N 2.88Å |
| 706 | N | 77.4 | Confident | 70.2 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.6 | -34.4 | 176 | -74.1 | -38.4 | 0 | 0 | 0 | 113.7 | Q682 N704 Y708 R709 K710 I711 | Q682-N706 PolarHBondContact NE2-ND2 3.48Å; Q682-N706 PolarHBondContact NE2-OD1 3.49Å; N704-N706 PolarHBondContact O-N 3.16Å; N706-Y708 VanDerWaalsContact C-N 3.27Å; N706-Y708 PolarHBondContact O-N 3.13Å; N706-R709 PolarHBondContact O-N 3.02Å; N706-K710 PolarHBondContact O-N 3.25Å; N706-K710 VanDerWaalsContact O-N 3.16Å; N706-I711 PolarHBondContact O-N 2.94Å; N706-I711 VanDerWaalsContact O-N 3.12Å |
| 707 | T | 70.3 | Confident | 69.2 | Low | 18 Ų | 18 | 51.2 Ų | 51.2 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | Q578 H703 N704 I705 K710 | Q578-T707 PolarHBondContact NE2-O 3.42Å; H703-T707 HydrophobicContact CB-CG2 4.22Å; N704-T707 VanDerWaalsContact O-CB 3.28Å; N704-T707 WeakPolarHBondContact O-CB 2.97Å; N704-T707 PolarHBondContact O-N 3.01Å; I705-T707 PolarHBondContact O-N 3.1Å; T707-K710 PolarHBondContact O-N 3.04Å |
| 708 | Y | 74.1 | Confident | 69 | Low | 13 Ų | 13 | 54.9 Ų | 54.9 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -84.9 | -22.3 | 179.4 | -64 | -86.1 | 0 | 0 | 0 | 113.7 | I574 Q578 V585 R643 T646 H703 N704 I705 N706 K710 | I574-Y708 HydrophobicContact CD1-CD1 4.22Å; I574-Y708 HydrophobicContact CD1-CE1 4.09Å; I574-Y708 HydrophobicContact CG1-CD1 4.33Å; I574-Y708 HydrophobicContact CG1-CE1 4.22Å; Q578-Y708 HydrophobicContact CG-CD1 4.46Å; V585-Y708 HydrophobicContact CG2-CD1 4.37Å; R643-Y708 HydrophobicContact CG-CE1 4.48Å; R643-Y708 VanDerWaalsContact CG-OH 3.29Å; R643-Y708 WeakPolarHBondContact CG-OH 3.29Å; T646-Y708 HydrophobicContact CG2-CD1 4.38Å; T646-Y708 HydrophobicContact CG2-CD2 3.72Å; T646-Y708 HydrophobicContact CG2-CE2 4.44Å; T646-Y708 HydrophobicContact CG2-CG 3.67Å; T646-Y708 WeakPolarHBondContact OG1-CD2 3.13Å; T646-Y708 WeakPolarHBondContact OG1-CE2 3.29Å; H703-Y708 HydrophobicContact CB-CE2 3.93Å; N704-Y708 WeakPolarHBondContact O-CD2 3.14Å; I705-Y708 PolarHBondContact O-N 2.85Å; N706-Y708 VanDerWaalsContact C-N 3.27Å; N706-Y708 PolarHBondContact O-N 3.13Å; Y708-K710 PolarHBondContact O-N 3.06Å |
| 709 | R | 77.4 | Confident | 69.1 | Low | 21 Ų | 21 | 58.6 Ų | 58.6 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -6.7 | 166.2 | -162.3 | 173.9 | -97.5 | 173.6 | 0.6 | 112.6 | L586 N674 D678 I705 N706 I711 | L586-R709 HydrophobicContact CD2-CB 4.44Å; N674-R709 PolarHBondContact OD1-NH1 3.23Å; D678-R709 IonicContact OD1-NH2 3.5Å; D678-R709 PolarHBondContact OD1-NH2 3.1Å; D678-R709 IonicContact OD2-CZ 3.16Å; D678-R709 VanDerWaalsContact OD2-CZ 3.25Å; D678-R709 IonicContact OD2-NH1 3.25Å; D678-R709 PolarHBondContact OD2-NH1 3.25Å; D678-R709 IonicContact OD2-NH2 2.64Å; D678-R709 PolarHBondContact OD2-NH2 3.14Å; I705-R709 PolarHBondContact O-N 2.88Å; N706-R709 PolarHBondContact O-N 3.02Å; R709-I711 HydrophobicContact CB-CD1 4.33Å; R709-I711 HydrophobicContact CB-CG1 4.22Å; R709-I711 HydrophobicContact CG-CD1 3.76Å; R709-I711 HydrophobicContact CG-CG1 3.96Å; R709-I711 PolarHBondContact O-N 3.23Å |
| 710 | K | 72 | Confident | 69.3 | Low | 65 Ų | 65 | 59.5 Ų | 59.5 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 20.8 | -174.4 | -62.7 | 177.6 | 170.7 | 171.3 | 0 | 114.5 | M580 K581 T583 N706 T707 Y708 K712 | M580-K710 PolarHBondContact O-NZ 2.84Å; K581-K710 PolarHBondContact O-NZ 3.25Å; T583-K710 VanDerWaalsContact O-CE 3.31Å; T583-K710 WeakPolarHBondContact O-CE 3.43Å; T583-K710 PolarHBondContact O-NZ 2.97Å; N706-K710 PolarHBondContact O-N 3.25Å; N706-K710 VanDerWaalsContact O-N 3.16Å; T707-K710 PolarHBondContact O-N 3.04Å; Y708-K710 PolarHBondContact O-N 3.06Å; K710-K712 VanDerWaalsContact C-N 3.26Å; K710-K712 PolarHBondContact O-N 2.94Å; K710-K712 VanDerWaalsContact O-N 3.09Å |
| 711 | I | 65 | Low | 69.5 | Low | 75 Ų | 75 | 62.4 Ų | 62.4 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | trans | -85.8 | 74.5 | 170.3 | -54.6 | 177.1 | 0 | 0 | 0 | 107 | N706 R709 K713 | N706-I711 PolarHBondContact O-N 2.94Å; N706-I711 VanDerWaalsContact O-N 3.12Å; R709-I711 HydrophobicContact CB-CD1 4.33Å; R709-I711 HydrophobicContact CB-CG1 4.22Å; R709-I711 HydrophobicContact CG-CD1 3.76Å; R709-I711 HydrophobicContact CG-CG1 3.96Å; R709-I711 PolarHBondContact O-N 3.23Å; I711-K713 PolarHBondContact O-N 3.41Å | ||
| 712 | K | 60.1 | Low | 70.4 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | trans | -83.2 | 104.5 | 177.5 | -73.7 | -173.5 | 177.6 | -178.6 | 0 | 109.8 | K710 | K710-K712 VanDerWaalsContact C-N 3.26Å; K710-K712 PolarHBondContact O-N 2.94Å; K710-K712 VanDerWaalsContact O-N 3.09Å | ||
| 713 | K | 57.5 | Low | 71.5 | Confident | 153 Ų | 153 | 67.1 Ų | 67.1 | 67% | 0.665 | 34% | 0.338 | S | S | * | . | trans | -73.2 | 129.9 | 161.3 | -67.1 | -178.5 | 179.8 | 177.7 | 0 | 107.2 | I711 S715 S716 | I711-K713 PolarHBondContact O-N 3.41Å; K713-S715 PolarHBondContact O-N 2.71Å; K713-S716 WeakPolarHBondContact O-CB 3.32Å; K713-S716 PolarHBondContact O-N 2.66Å; K713-S716 PolarHBondContact O-OG 2.79Å | ||
| 714 | L | 54.5 | Low | 72.2 | Confident | 154 Ų | 154 | 67 Ų | 67 | 81% | 0.806 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -30.1 | 179.5 | -170.5 | 69.5 | 0 | 0 | 0 | 112.5 | S716 H717 | L714-S716 VanDerWaalsContact C-N 3.26Å; L714-S716 PolarHBondContact O-N 3.43Å; L714-H717 PolarHBondContact O-N 3.08Å |
| 715 | S | 62.4 | Low | 72.3 | Confident | 84 Ų | 84 | 70 Ų | 70 | 59% | 0.587 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -17.6 | 174.9 | 60.5 | 0 | 0 | 0 | 0 | 115.3 | K713 H717 S718 | K713-S715 PolarHBondContact O-N 2.71Å; S715-H717 VanDerWaalsContact C-N 3.32Å; S715-S718 PolarHBondContact O-OG 2.95Å; S715-S718 VanDerWaalsContact O-OG 3.1Å |
| 716 | S | 68.7 | Low | 72.6 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -73.4 | -26 | 179.4 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | K713 L714 S718 R719 D720 | K713-S716 WeakPolarHBondContact O-CB 3.32Å; K713-S716 PolarHBondContact O-N 2.66Å; K713-S716 PolarHBondContact O-OG 2.79Å; L714-S716 VanDerWaalsContact C-N 3.26Å; L714-S716 PolarHBondContact O-N 3.43Å; S716-S718 VanDerWaalsContact C-N 3.33Å; S716-S718 PolarHBondContact O-N 2.59Å; S716-R719 PolarHBondContact O-N 3.04Å; S716-D720 VanDerWaalsContact O-CG 3.32Å; S716-D720 PolarHBondContact O-N 2.87Å; S716-D720 VanDerWaalsContact O-OD1 3.12Å |
| 717 | H | 66.6 | Low | 72.8 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | -177.8 | -78.4 | -59.9 | 0 | 0 | 0 | 113.4 | L714 S715 F721 | L714-H717 PolarHBondContact O-N 3.08Å; S715-H717 VanDerWaalsContact C-N 3.32Å; H717-F721 WeakPolarHBondContact O-CB 3.37Å; H717-F721 PolarHBondContact O-N 3.04Å; H717-F721 VanDerWaalsContact O-N 3.13Å |
| 718 | S | 74.7 | Confident | 73.2 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 54% | 0.538 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.5 | -40.2 | 177 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | S715 S716 F721 V722 | S715-S718 PolarHBondContact O-OG 2.95Å; S715-S718 VanDerWaalsContact O-OG 3.1Å; S716-S718 VanDerWaalsContact C-N 3.33Å; S716-S718 PolarHBondContact O-N 2.59Å; S718-F721 PolarHBondContact O-N 3.13Å; S718-V722 VanDerWaalsContact O-CG2 3.28Å; S718-V722 WeakPolarHBondContact O-CG2 3.01Å; S718-V722 PolarHBondContact O-N 3.41Å |
| 719 | R | 79.1 | Confident | 73.6 | Confident | 84 Ų | 84 | 81 Ų | 81 | 32% | 0.317 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 173.8 | 176.2 | -178.1 | 156.3 | 106.3 | -1.7 | 110.9 | D690 S716 F721 V722 Q723 | D690-R719 IonicContact OD1-NH2 3Å; D690-R719 PolarHBondContact OD1-NH2 3.27Å; D690-R719 IonicContact OD2-CZ 3.84Å; D690-R719 IonicContact OD2-NH2 3.44Å; D690-R719 PolarHBondContact OD2-NH2 3.01Å; S716-R719 PolarHBondContact O-N 3.04Å; R719-F721 VanDerWaalsContact C-N 3.27Å; R719-F721 PolarHBondContact O-N 2.82Å; R719-V722 PolarHBondContact O-N 3.46Å; R719-V722 VanDerWaalsContact O-N 3.15Å; R719-Q723 HydrophobicContact CG-CG 4.18Å; R719-Q723 WeakPolarHBondContact O-CG 3.26Å; R719-Q723 PolarHBondContact O-N 3.3Å |
| 720 | D | 78.7 | Confident | 73.8 | Confident | 20 Ų | 20 | 80.3 Ų | 80.3 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.1 | -40.6 | -178.3 | -67.7 | 9.9 | 0 | 0 | 0 | 111.3 | V702 H703 S716 T724 | V702-D720 HydrophobicContact CG1-CB 4.33Å; H703-D720 IonicContact ND1-OD2 3.18Å; S716-D720 VanDerWaalsContact O-CG 3.32Å; S716-D720 PolarHBondContact O-N 2.87Å; S716-D720 VanDerWaalsContact O-OD1 3.12Å; D720-T724 WeakPolarHBondContact O-CB 3.47Å; D720-T724 PolarHBondContact O-N 2.88Å; D720-T724 PolarHBondContact O-OG1 3.49Å |
| 721 | F | 78.8 | Confident | 74.1 | Confident | 131 Ų | 131 | 78.3 Ų | 78.3 | 58% | 0.575 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.5 | -48.8 | 174.8 | 179.9 | -103.7 | 0 | 0 | 0 | 112 | H717 S718 R719 Q723 T724 L725 | H717-F721 WeakPolarHBondContact O-CB 3.37Å; H717-F721 PolarHBondContact O-N 3.04Å; H717-F721 VanDerWaalsContact O-N 3.13Å; S718-F721 PolarHBondContact O-N 3.13Å; R719-F721 VanDerWaalsContact C-N 3.27Å; R719-F721 PolarHBondContact O-N 2.82Å; F721-Q723 VanDerWaalsContact C-N 3.35Å; F721-Q723 PolarHBondContact O-N 3.47Å; F721-T724 WeakPolarHBondContact O-CB 3.35Å; F721-T724 PolarHBondContact O-N 2.85Å; F721-L725 HydrophobicContact CD1-CD1 3.91Å; F721-L725 HydrophobicContact CE1-CD1 3.33Å; F721-L725 HydrophobicContact CE1-CG 4.17Å; F721-L725 HydrophobicContact CE2-CD1 4.43Å; F721-L725 HydrophobicContact CE2-CG 4.5Å; F721-L725 HydrophobicContact CZ-CD1 3.64Å; F721-L725 HydrophobicContact CZ-CD2 4.43Å; F721-L725 HydrophobicContact CZ-CG 4.14Å; F721-L725 PolarHBondContact O-N 3.34Å |
| 722 | V | 79.9 | Confident | 74.6 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 52% | 0.515 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | S718 R719 T724 L725 S726 | S718-V722 VanDerWaalsContact O-CG2 3.28Å; S718-V722 WeakPolarHBondContact O-CG2 3.01Å; S718-V722 PolarHBondContact O-N 3.41Å; R719-V722 PolarHBondContact O-N 3.46Å; R719-V722 VanDerWaalsContact O-N 3.15Å; V722-T724 VanDerWaalsContact C-N 3.34Å; V722-T724 PolarHBondContact O-N 3.49Å; V722-L725 PolarHBondContact O-N 3.12Å; V722-S726 WeakPolarHBondContact O-CB 3.17Å; V722-S726 PolarHBondContact O-N 3.3Å |
| 723 | Q | 84.3 | Confident | 75.6 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 177.6 | -66.1 | -58.5 | -21.5 | 0 | 0 | 111.8 | S699 Q700 V702 R719 F721 S726 R727 | S699-Q723 PolarHBondContact OG-O 2.85Å; Q700-Q723 HydrophobicContact CB-CG 4.5Å; Q700-Q723 VanDerWaalsContact N-OE1 3.08Å; V702-Q723 HydrophobicContact CG2-CB 3.91Å; R719-Q723 HydrophobicContact CG-CG 4.18Å; R719-Q723 WeakPolarHBondContact O-CG 3.26Å; R719-Q723 PolarHBondContact O-N 3.3Å; F721-Q723 VanDerWaalsContact C-N 3.35Å; F721-Q723 PolarHBondContact O-N 3.47Å; Q723-S726 PolarHBondContact O-N 2.88Å; Q723-R727 PolarHBondContact O-N 3.05Å |
| 724 | T | 82.3 | Confident | 76.7 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.2 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | V702 D720 F721 V722 R727 Y728 | V702-T724 WeakPolarHBondContact CG1-OG1 3.08Å; D720-T724 WeakPolarHBondContact O-CB 3.47Å; D720-T724 PolarHBondContact O-N 2.88Å; D720-T724 PolarHBondContact O-OG1 3.49Å; F721-T724 WeakPolarHBondContact O-CB 3.35Å; F721-T724 PolarHBondContact O-N 2.85Å; V722-T724 VanDerWaalsContact C-N 3.34Å; V722-T724 PolarHBondContact O-N 3.49Å; T724-R727 WeakPolarHBondContact O-CB 3.38Å; T724-R727 PolarHBondContact O-N 3.44Å; T724-Y728 PolarHBondContact O-N 3.11Å |
| 725 | L | 81 | Confident | 78.1 | Confident | 87 Ų | 87 | 65.7 Ų | 65.7 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 174.5 | -72.1 | 178 | 0 | 0 | 0 | 112 | F721 V722 R727 Y728 Y729 | F721-L725 HydrophobicContact CD1-CD1 3.91Å; F721-L725 HydrophobicContact CE1-CD1 3.33Å; F721-L725 HydrophobicContact CE1-CG 4.17Å; F721-L725 HydrophobicContact CE2-CD1 4.43Å; F721-L725 HydrophobicContact CE2-CG 4.5Å; F721-L725 HydrophobicContact CZ-CD1 3.64Å; F721-L725 HydrophobicContact CZ-CD2 4.43Å; F721-L725 HydrophobicContact CZ-CG 4.14Å; F721-L725 PolarHBondContact O-N 3.34Å; V722-L725 PolarHBondContact O-N 3.12Å; L725-R727 VanDerWaalsContact C-N 3.33Å; L725-R727 PolarHBondContact O-N 2.98Å; L725-Y728 WeakPolarHBondContact O-CB 3.5Å; L725-Y728 PolarHBondContact O-N 2.88Å; L725-Y729 WeakPolarHBondContact O-CB 3.33Å; L725-Y729 PolarHBondContact O-N 3.36Å |
| 726 | S | 80.1 | Confident | 79 | Confident | 43 Ų | 43 | 64.7 Ų | 64.7 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 112 | V722 Q723 S730 | V722-S726 WeakPolarHBondContact O-CB 3.17Å; V722-S726 PolarHBondContact O-N 3.3Å; Q723-S726 PolarHBondContact O-N 2.88Å; S726-S730 VanDerWaalsContact O-CB 3.28Å; S726-S730 WeakPolarHBondContact O-CB 3.49Å; S726-S730 PolarHBondContact O-N 3.24Å; S726-S730 PolarHBondContact O-OG 3.35Å |
| 727 | R | 80.5 | Confident | 79.8 | Confident | 14 Ų | 14 | 69 Ų | 69 | 5% | 0.053 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -50.4 | 171.8 | -117.6 | 162.6 | -146.4 | -175.5 | 10 | 110.6 | D642 G697 S699 Q700 Q723 T724 L725 Y729 S730 N731 | D642-R727 IonicContact OD1-CZ 2.89Å; D642-R727 IonicContact OD1-NH1 2.82Å; D642-R727 PolarHBondContact OD1-NH1 2.81Å; D642-R727 IonicContact OD1-NH2 3.14Å; D642-R727 PolarHBondContact OD1-NH2 2.8Å; D642-R727 IonicContact OD2-CZ 3.37Å; D642-R727 IonicContact OD2-NH1 3.85Å; D642-R727 PolarHBondContact OD2-NH1 2.73Å; D642-R727 IonicContact OD2-NH2 3.85Å; G697-R727 WeakPolarHBondContact O-CG 3.21Å; S699-R727 WeakPolarHBondContact OG-CD 3.32Å; S699-R727 WeakPolarHBondContact OG-CG 3.25Å; S699-R727 PolarHBondContact OG-NE 2.92Å; Q700-R727 PolarHBondContact O-NH2 2.78Å; Q700-R727 VanDerWaalsContact O-NH2 3.14Å; Q723-R727 PolarHBondContact O-N 3.05Å; T724-R727 WeakPolarHBondContact O-CB 3.38Å; T724-R727 PolarHBondContact O-N 3.44Å; L725-R727 VanDerWaalsContact C-N 3.33Å; L725-R727 PolarHBondContact O-N 2.98Å; R727-Y729 VanDerWaalsContact C-N 3.33Å; R727-Y729 PolarHBondContact O-N 3.49Å; R727-S730 PolarHBondContact O-N 2.78Å; R727-N731 WeakPolarHBondContact O-CB 3.35Å; R727-N731 PolarHBondContact O-N 2.84Å; R727-N731 PolarHBondContact O-ND2 3.43Å |
| 728 | Y | 79.1 | Confident | 80.8 | Confident | 121 Ų | 121 | 68.3 Ų | 68.3 | 48% | 0.475 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.8 | -47.6 | 179.8 | 179.4 | -96.6 | 0 | 0 | 0 | 111.7 | T724 L725 N731 K732 | T724-Y728 PolarHBondContact O-N 3.11Å; L725-Y728 WeakPolarHBondContact O-CB 3.5Å; L725-Y728 PolarHBondContact O-N 2.88Å; Y728-N731 PolarHBondContact O-N 2.83Å; Y728-K732 HydrophobicContact CE1-CG 4.26Å; Y728-K732 HydrophobicContact CE2-CG 4.21Å; Y728-K732 WeakPolarHBondContact O-CB 3.46Å; Y728-K732 WeakPolarHBondContact O-CG 3.31Å; Y728-K732 PolarHBondContact O-N 2.92Å; Y728-K732 VanDerWaalsContact O-N 3.1Å |
| 729 | Y | 82.5 | Confident | 81.2 | Confident | 142 Ų | 142 | 64.6 Ų | 64.6 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 176.5 | -179 | -92.9 | 0 | 0 | 0 | 111.8 | L725 R727 N731 K732 F733 | L725-Y729 WeakPolarHBondContact O-CB 3.33Å; L725-Y729 PolarHBondContact O-N 3.36Å; R727-Y729 VanDerWaalsContact C-N 3.33Å; R727-Y729 PolarHBondContact O-N 3.49Å; Y729-N731 PolarHBondContact O-N 3.45Å; Y729-K732 PolarHBondContact O-N 2.96Å; Y729-F733 AromaticContact CD2-CD2 3.52Å; Y729-F733 HydrophobicContact CD2-CD2 3.52Å; Y729-F733 HydrophobicContact CD2-CE2 4.04Å; Y729-F733 HydrophobicContact CD2-CG 4.48Å; Y729-F733 HydrophobicContact CE1-CB 4.49Å; Y729-F733 HydrophobicContact CE2-CB 4.37Å; Y729-F733 AromaticContact CE2-CD2 3.61Å; Y729-F733 HydrophobicContact CE2-CD2 3.61Å; Y729-F733 HydrophobicContact CE2-CE2 4.23Å; Y729-F733 HydrophobicContact CE2-CG 4.21Å; Y729-F733 HydrophobicContact CG-CD2 4.16Å; Y729-F733 PolarHBondContact O-N 2.88Å |
| 730 | S | 82.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -60.4 | -46.4 | -179.6 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | G698 S726 R727 K732 S734 D735 | G698-S730 PolarHBondContact O-OG 3.42Å; S726-S730 VanDerWaalsContact O-CB 3.28Å; S726-S730 WeakPolarHBondContact O-CB 3.49Å; S726-S730 PolarHBondContact O-N 3.24Å; S726-S730 PolarHBondContact O-OG 3.35Å; R727-S730 PolarHBondContact O-N 2.78Å; S730-K732 VanDerWaalsContact C-N 3.31Å; S730-K732 PolarHBondContact O-N 3.46Å; S730-S734 VanDerWaalsContact CA-OG 3.26Å; S730-S734 WeakPolarHBondContact CA-OG 3.47Å; S730-S734 WeakPolarHBondContact CB-OG 3.46Å; S730-S734 CarbonylContact O-C 3.54Å; S730-S734 PolarHBondContact O-N 3.25Å; S730-S734 PolarHBondContact O-OG 2.81Å; S730-D735 WeakPolarHBondContact O-CB 3.41Å; S730-D735 VanDerWaalsContact O-CG 3.29Å; S730-D735 PolarHBondContact O-N 2.67Å |
| 731 | N | 78 | Confident | 81.8 | Confident | 24 Ų | 24 | 60 Ų | 60 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -60.9 | -37.9 | 177.8 | -65.7 | -38.1 | 0 | 0 | 0 | 112.4 | F420 R727 Y728 Y729 D735 | F420-N731 HydrophobicContact CD2-CB 3.87Å; F420-N731 HydrophobicContact CE2-CB 3.85Å; F420-N731 VanDerWaalsContact CE2-ND2 3.27Å; F420-N731 WeakPolarHBondContact CE2-ND2 3.43Å; R727-N731 WeakPolarHBondContact O-CB 3.35Å; R727-N731 PolarHBondContact O-N 2.84Å; R727-N731 PolarHBondContact O-ND2 3.43Å; Y728-N731 PolarHBondContact O-N 2.83Å; Y729-N731 PolarHBondContact O-N 3.45Å; N731-D735 PolarHBondContact OD1-OD2 3.07Å |
| 732 | K | 76 | Confident | 82.2 | Confident | 75 Ų | 75 | 54.7 Ų | 54.7 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -84.2 | -34.8 | -176.7 | -73 | -65 | -174.6 | -178.8 | 0 | 113.9 | S472 Y728 Y729 S730 | S472-K732 PolarHBondContact O-NZ 2.71Å; Y728-K732 HydrophobicContact CE1-CG 4.26Å; Y728-K732 HydrophobicContact CE2-CG 4.21Å; Y728-K732 WeakPolarHBondContact O-CB 3.46Å; Y728-K732 WeakPolarHBondContact O-CG 3.31Å; Y728-K732 PolarHBondContact O-N 2.92Å; Y728-K732 VanDerWaalsContact O-N 3.1Å; Y729-K732 PolarHBondContact O-N 2.96Å; S730-K732 VanDerWaalsContact C-N 3.31Å; S730-K732 PolarHBondContact O-N 3.46Å |
| 733 | F | 79.8 | Confident | 82.2 | Confident | 142 Ų | 142 | 50.6 Ų | 50.6 | 62% | 0.623 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -122.6 | -25 | -167.9 | -59.8 | -71.2 | 0 | 0 | 0 | 115.1 | Y729 | Y729-F733 AromaticContact CD2-CD2 3.52Å; Y729-F733 HydrophobicContact CD2-CD2 3.52Å; Y729-F733 HydrophobicContact CD2-CE2 4.04Å; Y729-F733 HydrophobicContact CD2-CG 4.48Å; Y729-F733 HydrophobicContact CE1-CB 4.49Å; Y729-F733 HydrophobicContact CE2-CB 4.37Å; Y729-F733 AromaticContact CE2-CD2 3.61Å; Y729-F733 HydrophobicContact CE2-CD2 3.61Å; Y729-F733 HydrophobicContact CE2-CE2 4.23Å; Y729-F733 HydrophobicContact CE2-CG 4.21Å; Y729-F733 HydrophobicContact CG-CD2 4.16Å; Y729-F733 PolarHBondContact O-N 2.88Å |
| 734 | S | 81.7 | Confident | 82.1 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -110.2 | -27.7 | -173.6 | 84.2 | 0 | 0 | 0 | 0 | 114.3 | S730 W736 E737 K738 | S730-S734 VanDerWaalsContact CA-OG 3.26Å; S730-S734 WeakPolarHBondContact CA-OG 3.47Å; S730-S734 WeakPolarHBondContact CB-OG 3.46Å; S730-S734 CarbonylContact O-C 3.54Å; S730-S734 PolarHBondContact O-N 3.25Å; S730-S734 PolarHBondContact O-OG 2.81Å; S734-W736 PolarHBondContact O-N 3.38Å; S734-E737 PolarHBondContact O-N 3.41Å; S734-K738 WeakPolarHBondContact O-CB 3.43Å; S734-K738 WeakPolarHBondContact O-CG 3.41Å; S734-K738 PolarHBondContact O-N 2.85Å; S734-K738 PolarHBondContact OG-NZ 3.49Å |
| 735 | D | 84.3 | Confident | 82.4 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.6 | -35.7 | -166.6 | -88.2 | 11.5 | 0 | 0 | 0 | 112.8 | R418 L421 S730 N731 K738 Q739 | R418-D735 HydrophobicContact CB-CB 4.06Å; R418-D735 HydrophobicContact CG-CB 4.24Å; R418-D735 WeakPolarHBondContact CG-O 3.45Å; R418-D735 IonicContact CZ-OD1 3.76Å; R418-D735 VanDerWaalsContact CZ-OD1 3.27Å; R418-D735 IonicContact NE-OD1 2.66Å; R418-D735 PolarHBondContact NE-OD1 2.79Å; R418-D735 IonicContact NE-OD2 3.25Å; R418-D735 IonicContact NH2-OD1 2.71Å; R418-D735 PolarHBondContact NH2-OD1 3.12Å; L421-D735 HydrophobicContact CD1-CB 4.44Å; S730-D735 WeakPolarHBondContact O-CB 3.41Å; S730-D735 VanDerWaalsContact O-CG 3.29Å; S730-D735 PolarHBondContact O-N 2.67Å; N731-D735 PolarHBondContact OD1-OD2 3.07Å; D735-K738 PolarHBondContact O-N 2.77Å; D735-Q739 WeakPolarHBondContact O-CB 3.31Å; D735-Q739 PolarHBondContact O-N 2.83Å |
| 736 | W | 81.7 | Confident | 82.5 | Confident | 62 Ų | 62 | 42.2 Ų | 42.2 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -53.6 | 176.1 | -179.6 | -113.9 | 0 | 0 | 0 | 111.7 | L421 S734 K738 Q739 C740 M813 D816 | L421-W736 HydrophobicContact CD1-CE3 3.92Å; L421-W736 HydrophobicContact CD2-CE3 4.12Å; L421-W736 HydrophobicContact CD2-CZ3 4.4Å; S734-W736 PolarHBondContact O-N 3.38Å; W736-K738 VanDerWaalsContact C-N 3.31Å; W736-K738 PolarHBondContact O-N 3.43Å; W736-Q739 WeakPolarHBondContact O-CB 3.26Å; W736-Q739 PolarHBondContact O-N 3.29Å; W736-C740 VanDerWaalsContact CE2-SG 3.58Å; W736-C740 PolarHBondContact O-N 3.17Å; W736-C740 PolarHBondContact O-SG 3.46Å; W736-M813 HydrophobicContact CD2-CG 3.87Å; W736-M813 HydrophobicContact CE3-CG 4Å; W736-M813 VanDerWaalsContact CH2-CA 3.46Å; W736-M813 HydrophobicContact CH2-CB 4.14Å; W736-M813 HydrophobicContact CH2-CG 3.81Å; W736-M813 VanDerWaalsContact CZ2-CA 3.43Å; W736-M813 HydrophobicContact CZ2-CB 4.15Å; W736-M813 HydrophobicContact CZ2-CG 3.66Å; W736-M813 HydrophobicContact CZ3-CG 3.96Å; W736-D816 HydrophobicContact CH2-CB 3.55Å; W736-D816 HydrophobicContact CZ3-CB 3.94Å |
| 737 | E | 84.3 | Confident | 82.4 | Confident | 119 Ų | 119 | 40.8 Ų | 40.8 | 56% | 0.556 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -59.6 | -42.4 | 178.5 | -174.1 | 174.8 | -158.8 | 0 | 0 | 111.6 | L302 S734 Q739 C740 A741 | L302-E737 HydrophobicContact CD1-CG 3.85Å; S734-E737 PolarHBondContact O-N 3.41Å; E737-Q739 VanDerWaalsContact C-N 3.32Å; E737-Q739 PolarHBondContact O-N 2.71Å; E737-C740 PolarHBondContact O-N 2.67Å; E737-A741 WeakPolarHBondContact O-CB 3.49Å; E737-A741 PolarHBondContact O-N 3.29Å |
| 738 | K | 87.2 | Confident | 81.8 | Confident | 80 Ų | 80 | 41.5 Ų | 41.5 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 174.3 | -72.9 | 175.3 | -178.8 | 169.3 | 0 | 112.5 | R418 S734 D735 W736 A741 I742 | R418-K738 HydrophobicContact CG-CB 4.19Å; S734-K738 WeakPolarHBondContact O-CB 3.43Å; S734-K738 WeakPolarHBondContact O-CG 3.41Å; S734-K738 PolarHBondContact O-N 2.85Å; S734-K738 PolarHBondContact OG-NZ 3.49Å; D735-K738 PolarHBondContact O-N 2.77Å; W736-K738 VanDerWaalsContact C-N 3.31Å; W736-K738 PolarHBondContact O-N 3.43Å; K738-A741 PolarHBondContact O-N 3.21Å; K738-I742 WeakPolarHBondContact O-CD1 3.41Å; K738-I742 VanDerWaalsContact O-CG1 3.23Å; K738-I742 WeakPolarHBondContact O-CG1 3.47Å; K738-I742 PolarHBondContact O-N 3.37Å |
| 739 | Q | 84.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65 | -47.3 | 175.4 | -176.4 | 62.1 | 47.4 | 0 | 0 | 110.7 | R418 L421 K422 D735 W736 E737 A741 I742 S743 | R418-Q739 HydrophobicContact CG-CB 4.32Å; L421-Q739 HydrophobicContact CB-CG 4.35Å; L421-Q739 HydrophobicContact CD1-CB 3.52Å; L421-Q739 HydrophobicContact CD1-CG 3.93Å; K422-Q739 VanDerWaalsContact CE-NE2 3.33Å; D735-Q739 WeakPolarHBondContact O-CB 3.31Å; D735-Q739 PolarHBondContact O-N 2.83Å; W736-Q739 WeakPolarHBondContact O-CB 3.26Å; W736-Q739 PolarHBondContact O-N 3.29Å; E737-Q739 VanDerWaalsContact C-N 3.32Å; E737-Q739 PolarHBondContact O-N 2.71Å; Q739-A741 VanDerWaalsContact C-N 3.27Å; Q739-A741 PolarHBondContact O-N 3.01Å; Q739-I742 PolarHBondContact O-N 2.84Å; Q739-S743 PolarHBondContact NE2-OG 3.44Å; Q739-S743 WeakPolarHBondContact O-CB 3.02Å; Q739-S743 PolarHBondContact O-N 3.31Å; Q739-S743 PolarHBondContact O-OG 2.99Å |
| 740 | C | 83.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.027 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | L302 W736 E737 S743 L744 I810 | L302-C740 HydrophobicContact CD1-CB 4.18Å; L302-C740 HydrophobicContact CD2-CB 3.86Å; W736-C740 VanDerWaalsContact CE2-SG 3.58Å; W736-C740 PolarHBondContact O-N 3.17Å; W736-C740 PolarHBondContact O-SG 3.46Å; E737-C740 PolarHBondContact O-N 2.67Å; C740-S743 PolarHBondContact O-N 3.31Å; C740-L744 WeakPolarHBondContact O-CB 3.41Å; C740-L744 PolarHBondContact O-N 3.19Å; C740-I810 HydrophobicContact CB-CD1 3.87Å; C740-I810 HydrophobicContact CB-CG1 4Å; C740-I810 VanDerWaalsContact O-CD1 3.27Å; C740-I810 WeakPolarHBondContact O-CD1 3.46Å; C740-I810 PolarHBondContact SG-O 3.35Å |
| 741 | A | 87.5 | Confident | 80 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.017 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L302 S305 V306 E737 K738 Q739 L744 F745 | L302-A741 HydrophobicContact CD1-CB 3.85Å; L302-A741 HydrophobicContact CG-CB 4.13Å; L302-A741 WeakPolarHBondContact O-CB 3.34Å; S305-A741 VanDerWaalsContact OG-CB 3.23Å; S305-A741 WeakPolarHBondContact OG-CB 3.5Å; V306-A741 HydrophobicContact CG2-CB 3.75Å; E737-A741 WeakPolarHBondContact O-CB 3.49Å; E737-A741 PolarHBondContact O-N 3.29Å; K738-A741 PolarHBondContact O-N 3.21Å; Q739-A741 VanDerWaalsContact C-N 3.27Å; Q739-A741 PolarHBondContact O-N 3.01Å; A741-L744 PolarHBondContact O-N 3.17Å; A741-F745 WeakPolarHBondContact O-CB 3.4Å; A741-F745 PolarHBondContact O-N 3.07Å |
| 742 | I | 85.6 | Confident | 79.3 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 175.1 | -69.9 | 164.3 | 0 | 0 | 0 | 110.8 | W355 K738 Q739 L744 F745 L746 | W355-I742 HydrophobicContact CZ3-CG2 4.49Å; K738-I742 WeakPolarHBondContact O-CD1 3.41Å; K738-I742 VanDerWaalsContact O-CG1 3.23Å; K738-I742 WeakPolarHBondContact O-CG1 3.47Å; K738-I742 PolarHBondContact O-N 3.37Å; Q739-I742 PolarHBondContact O-N 2.84Å; I742-L744 VanDerWaalsContact C-N 3.29Å; I742-L744 PolarHBondContact O-N 3.29Å; I742-F745 PolarHBondContact O-N 3.23Å; I742-L746 HydrophobicContact CG2-CD1 3.68Å; I742-L746 HydrophobicContact CG2-CG 4.24Å; I742-L746 WeakPolarHBondContact O-CB 3.31Å; I742-L746 WeakPolarHBondContact O-CG 3.28Å; I742-L746 PolarHBondContact O-N 3.38Å |
| 743 | S | 81.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 180 | -65 | 0 | 0 | 0 | 0 | 111.9 | Q739 C740 R747 I748 Y749 D816 | Q739-S743 PolarHBondContact NE2-OG 3.44Å; Q739-S743 WeakPolarHBondContact O-CB 3.02Å; Q739-S743 PolarHBondContact O-N 3.31Å; Q739-S743 PolarHBondContact O-OG 2.99Å; C740-S743 PolarHBondContact O-N 3.31Å; S743-R747 PolarHBondContact O-N 3.3Å; S743-I748 PolarHBondContact O-N 2.76Å; S743-Y749 PolarHBondContact O-N 3.2Å; S743-Y749 VanDerWaalsContact O-N 3.08Å; S743-D816 PolarHBondContact OG-OD1 3.35Å |
| 744 | L | 81.5 | Confident | 77 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.1 | -45.8 | 173.9 | -176.2 | 66.7 | 0 | 0 | 0 | 112 | F196 Y299 L302 F303 C740 A741 I742 R747 Y749 P751 I810 | F196-L744 HydrophobicContact CD1-CD1 4.14Å; F196-L744 HydrophobicContact CD1-CD2 4.49Å; F196-L744 HydrophobicContact CE1-CD1 4.06Å; F196-L744 HydrophobicContact CE1-CD2 3.92Å; F196-L744 HydrophobicContact CE1-CG 4.11Å; Y299-L744 HydrophobicContact CD1-CD1 4.38Å; Y299-L744 HydrophobicContact CD1-CD2 4.2Å; L302-L744 HydrophobicContact CB-CD2 4.34Å; L302-L744 HydrophobicContact CD2-CD2 4.14Å; L302-L744 HydrophobicContact CG-CD2 4.31Å; F303-L744 HydrophobicContact CB-CD2 3.93Å; F303-L744 HydrophobicContact CD2-CD2 4.3Å; F303-L744 HydrophobicContact CD2-CG 4.21Å; C740-L744 WeakPolarHBondContact O-CB 3.41Å; C740-L744 PolarHBondContact O-N 3.19Å; A741-L744 PolarHBondContact O-N 3.17Å; I742-L744 VanDerWaalsContact C-N 3.29Å; I742-L744 PolarHBondContact O-N 3.29Å; L744-R747 PolarHBondContact O-N 3.18Å; L744-R747 VanDerWaalsContact O-N 3.14Å; L744-Y749 HydrophobicContact CD1-CD1 4.11Å; L744-P751 HydrophobicContact CD1-CG 3.71Å; L744-I810 HydrophobicContact CB-CD1 4.48Å |
| 745 | F | 87.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 179.7 | -179.5 | -90.1 | 0 | 0 | 0 | 112.4 | F303 V306 L308 F312 W355 L359 A741 I742 R747 | F303-F745 HydrophobicContact CE1-CD2 4.32Å; F303-F745 HydrophobicContact CE2-CB 4.29Å; F303-F745 AromaticContact CE2-CD2 3.74Å; F303-F745 HydrophobicContact CE2-CD2 3.74Å; F303-F745 HydrophobicContact CE2-CG 4.4Å; F303-F745 AromaticContact CZ-CD2 3.6Å; F303-F745 HydrophobicContact CZ-CD2 3.6Å; F303-F745 HydrophobicContact CZ-CE2 4.01Å; V306-F745 HydrophobicContact CB-CD2 4.42Å; V306-F745 HydrophobicContact CG1-CD2 4.13Å; V306-F745 HydrophobicContact CG1-CG 4.27Å; V306-F745 HydrophobicContact CG2-CB 4.09Å; L308-F745 HydrophobicContact CD2-CE2 3.76Å; L308-F745 HydrophobicContact CD2-CZ 3.84Å; F312-F745 HydrophobicContact CE1-CE1 4.35Å; F312-F745 HydrophobicContact CE1-CZ 4.43Å; W355-F745 HydrophobicContact CB-CE1 4.3Å; W355-F745 HydrophobicContact CE3-CE1 4.47Å; L359-F745 HydrophobicContact CD1-CD2 4.13Å; L359-F745 HydrophobicContact CD1-CE1 4.36Å; L359-F745 HydrophobicContact CD1-CE2 3.65Å; L359-F745 HydrophobicContact CD1-CZ 3.78Å; A741-F745 WeakPolarHBondContact O-CB 3.4Å; A741-F745 PolarHBondContact O-N 3.07Å; I742-F745 PolarHBondContact O-N 3.23Å; F745-R747 PolarHBondContact O-N 3.38Å |
| 746 | L | 84.3 | Confident | 73.2 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -3.5 | 177.5 | -65.4 | 179.1 | 0 | 0 | 0 | 113.3 | W355 R413 A416 I742 I748 | W355-L746 HydrophobicContact CD2-CD2 4.24Å; W355-L746 HydrophobicContact CE3-CD2 3.82Å; W355-L746 HydrophobicContact CZ3-CD1 4.45Å; W355-L746 HydrophobicContact CZ3-CD2 4.31Å; W355-L746 WeakPolarHBondContact O-CD2 3.34Å; R413-L746 HydrophobicContact CB-CD2 4.05Å; A416-L746 HydrophobicContact CB-CD1 4.01Å; I742-L746 HydrophobicContact CG2-CD1 3.68Å; I742-L746 HydrophobicContact CG2-CG 4.24Å; I742-L746 WeakPolarHBondContact O-CB 3.31Å; I742-L746 WeakPolarHBondContact O-CG 3.28Å; I742-L746 PolarHBondContact O-N 3.38Å; L746-I748 HydrophobicContact CB-CD1 4.09Å; L746-I748 HydrophobicContact CB-CG1 3.94Å; L746-I748 HydrophobicContact CD1-CD1 4.14Å; L746-I748 PolarHBondContact O-N 3Å |
| 747 | R | 78.1 | Confident | 71.4 | Confident | 13 Ų | 13 | 33 Ų | 33 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 28.9 | -175.4 | -58.6 | -70.4 | -130 | 154.8 | 2.4 | 113.6 | R195 R358 L359 S743 L744 F745 Y749 | R195-R747 PolarHBondContact O-NH1 3.05Å; R195-R747 PolarHBondContact O-NH2 3.13Å; R358-R747 HydrophobicContact CB-CB 3.71Å; R358-R747 HydrophobicContact CB-CG 3.91Å; R358-R747 HydrophobicContact CG-CB 4.4Å; L359-R747 HydrophobicContact CD2-CG 3.8Å; S743-R747 PolarHBondContact O-N 3.3Å; L744-R747 PolarHBondContact O-N 3.18Å; L744-R747 VanDerWaalsContact O-N 3.14Å; F745-R747 PolarHBondContact O-N 3.38Å; R747-Y749 VanDerWaalsContact C-N 3.3Å |
| 748 | I | 68.3 | Low | 69.6 | Low | 30 Ų | 30 | 28.7 Ų | 28.7 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -69.3 | -39.3 | 167.2 | -59 | 176.4 | 0 | 0 | 0 | 108.3 | S743 L746 L819 D823 | S743-I748 PolarHBondContact O-N 2.76Å; L746-I748 HydrophobicContact CB-CD1 4.09Å; L746-I748 HydrophobicContact CB-CG1 3.94Å; L746-I748 HydrophobicContact CD1-CD1 4.14Å; L746-I748 PolarHBondContact O-N 3Å; I748-L819 HydrophobicContact CG2-CB 4.45Å; I748-D823 HydrophobicContact CG2-CB 4.48Å |
| 749 | Y | 67.9 | Low | 67.6 | Low | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -100.8 | 135.8 | 164.9 | -177.5 | -102.3 | 0 | 0 | 0 | 110.6 | Y299 S743 L744 R747 P751 I810 L819 | Y299-Y749 AromaticContact CE1-CE1 3.73Å; Y299-Y749 HydrophobicContact CE1-CE1 3.73Å; Y299-Y749 PolarHBondContact OH-OH 3.47Å; S743-Y749 PolarHBondContact O-N 3.2Å; S743-Y749 VanDerWaalsContact O-N 3.08Å; L744-Y749 HydrophobicContact CD1-CD1 4.11Å; R747-Y749 VanDerWaalsContact C-N 3.3Å; Y749-P751 HydrophobicContact CD1-CG 4.21Å; Y749-P751 HydrophobicContact CE1-CB 4.23Å; Y749-P751 HydrophobicContact CE1-CG 3.83Å; Y749-I810 HydrophobicContact CD1-CB 3.83Å; Y749-I810 HydrophobicContact CD1-CD1 3.68Å; Y749-I810 HydrophobicContact CD1-CG1 4.16Å; Y749-I810 HydrophobicContact CD1-CG2 4.3Å; Y749-I810 HydrophobicContact CD2-CB 4.14Å; Y749-I810 HydrophobicContact CD2-CD1 4.46Å; Y749-I810 HydrophobicContact CD2-CG1 4.34Å; Y749-I810 HydrophobicContact CE1-CB 3.66Å; Y749-I810 HydrophobicContact CE1-CD1 4.38Å; Y749-I810 HydrophobicContact CE1-CG1 4.49Å; Y749-I810 HydrophobicContact CE1-CG2 3.98Å; Y749-I810 HydrophobicContact CE2-CB 3.97Å; Y749-I810 HydrophobicContact CG-CB 4.04Å; Y749-I810 HydrophobicContact CG-CD1 3.7Å; Y749-I810 HydrophobicContact CG-CG1 4.05Å; Y749-I810 PolarHBondContact OH-N 3.48Å; Y749-L819 HydrophobicContact CD2-CD1 3.54Å; Y749-L819 HydrophobicContact CD2-CD2 3.7Å; Y749-L819 HydrophobicContact CD2-CG 4.24Å; Y749-L819 HydrophobicContact CE2-CD1 4.45Å; Y749-L819 HydrophobicContact CG-CD1 4.15Å |
| 750 | R | 68 | Low | 65.9 | Low | 70 Ų | 70 | 34.7 Ų | 34.7 | 26% | 0.264 | 18% | 0.18 | S | C | . | . | trans | -122.5 | 117.6 | 170.9 | -63.9 | -173.3 | -176.3 | 112.3 | 1.6 | 108.2 | E64 N752 | E64-R750 IonicContact OE2-NH2 3.75Å; R750-N752 PolarHBondContact O-N 2.92Å; R750-N752 PolarHBondContact O-ND2 3Å; R750-N752 PolarHBondContact O-OD1 3.01Å; R750-N752 VanDerWaalsContact O-OD1 3.05Å | ||
| 751 | P | 68.5 | Low | 64.4 | Low | 11 Ų | 11 | 35.7 Ų | 35.7 | 7% | 0.071 | 18% | 0.184 | C | C | . | . | trans | -58.2 | 136.5 | 173.6 | -23.1 | 33.3 | 0 | 0 | 0 | 111.1 | F196 L197 Y299 L744 Y749 | F196-P751 HydrophobicContact CB-CG 4.29Å; F196-P751 HydrophobicContact CD1-CG 4.09Å; L197-P751 HydrophobicContact CD2-CB 3.74Å; L197-P751 HydrophobicContact CG-CB 4.39Å; Y299-P751 HydrophobicContact CD1-CB 4.43Å; Y299-P751 HydrophobicContact CD1-CG 3.73Å; Y299-P751 HydrophobicContact CD2-CB 4.03Å; Y299-P751 HydrophobicContact CD2-CG 4.08Å; Y299-P751 HydrophobicContact CE1-CB 4.08Å; Y299-P751 HydrophobicContact CE1-CG 3.67Å; Y299-P751 HydrophobicContact CE2-CB 3.65Å; Y299-P751 HydrophobicContact CE2-CG 4.02Å; Y299-P751 HydrophobicContact CG-CB 4.41Å; Y299-P751 HydrophobicContact CG-CG 3.94Å; L744-P751 HydrophobicContact CD1-CG 3.71Å; Y749-P751 HydrophobicContact CD1-CG 4.21Å; Y749-P751 HydrophobicContact CE1-CB 4.23Å; Y749-P751 HydrophobicContact CE1-CG 3.83Å | ||
| 752 | N | 64.4 | Low | 62.5 | Low | 45 Ų | 45 | 38.5 Ų | 38.5 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | trans | -130.1 | 144.7 | -173.1 | 6 | 35.8 | 0 | 0 | 0 | 107.7 | R750 W754 A804 S807 | R750-N752 PolarHBondContact O-N 2.92Å; R750-N752 PolarHBondContact O-ND2 3Å; R750-N752 PolarHBondContact O-OD1 3.01Å; R750-N752 VanDerWaalsContact O-OD1 3.05Å; N752-W754 VanDerWaalsContact C-N 3.3Å; N752-A804 WeakPolarHBondContact ND2-CA 3.38Å; N752-A804 WeakPolarHBondContact ND2-CB 3.31Å; N752-A804 PolarHBondContact ND2-O 3.49Å; N752-S807 PolarHBondContact ND2-OG 2.82Å; N752-S807 VanDerWaalsContact ND2-OG 3.13Å; N752-S807 PolarHBondContact OD1-OG 3.39Å | ||
| 753 | L | 56.3 | Low | 60.9 | Low | 34 Ų | 34 | 42.2 Ų | 42.2 | 18% | 0.178 | 21% | 0.213 | C | C | . | . | trans | -83.3 | -10.5 | -172.9 | -152.2 | 71.5 | 0 | 0 | 0 | 112.8 | L197 I283 I287 L292 S755 | L197-L753 HydrophobicContact CB-CD1 3.88Å; L197-L753 HydrophobicContact CD2-CD1 4.18Å; L197-L753 HydrophobicContact CG-CD1 4.47Å; I283-L753 HydrophobicContact CG2-CD2 3.22Å; I283-L753 HydrophobicContact CG2-CG 4.1Å; I287-L753 HydrophobicContact CD1-CD1 4.49Å; I287-L753 HydrophobicContact CD1-CD2 4.47Å; I287-L753 HydrophobicContact CD1-CG 3.84Å; I287-L753 VanDerWaalsContact CD1-O 3.22Å; I287-L753 WeakPolarHBondContact CD1-O 3.08Å; L292-L753 HydrophobicContact CD1-CD1 3.38Å; L753-S755 PolarHBondContact O-N 2.69Å | ||
| 754 | W | 50.4 | Low | 59.6 | Low | 80 Ų | 80 | 46.2 Ų | 46.2 | 30% | 0.303 | 23% | 0.234 | S | C | . | . | trans | -66.8 | 126.2 | -173.8 | -174.4 | -103.6 | 0 | 0 | 0 | 111 | N752 G756 T757 D760 F761 H765 | N752-W754 VanDerWaalsContact C-N 3.3Å; W754-G756 PolarHBondContact NE1-O 3.36Å; W754-T757 PolarHBondContact NE1-O 2.94Å; W754-D760 HydrophobicContact CZ2-CB 4.03Å; W754-F761 HydrophobicContact CD2-CD2 4.23Å; W754-F761 HydrophobicContact CE3-CD2 4.34Å; W754-F761 HydrophobicContact CH2-CB 4.3Å; W754-F761 HydrophobicContact CH2-CD2 4.37Å; W754-F761 HydrophobicContact CZ2-CB 3.6Å; W754-F761 HydrophobicContact CZ2-CD2 4.27Å; W754-F761 HydrophobicContact CZ2-CG 4.45Å; W754-F761 HydrophobicContact CZ3-CD2 4.4Å; W754-H765 AromaticContact CH2-CD2 3.57Å; W754-H765 AromaticContact CH2-NE2 3.66Å; W754-H765 AromaticContact CZ3-CD2 3.51Å; W754-H765 AromaticContact CZ3-NE2 3.37Å; W754-H765 WeakPolarHBondContact CZ3-NE2 3.36Å | ||
| 755 | S | 43 | Very low | 58.3 | Low | 84 Ų | 84 | 48.1 Ų | 48.1 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | trans | -120.4 | 0.3 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | L753 | L753-S755 PolarHBondContact O-N 2.69Š| ||
| 756 | G | 42.7 | Very low | 56.5 | Low | 33 Ų | 33 | 49.1 Ų | 49.1 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -83.8 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W754 | W754-G756 PolarHBondContact NE1-O 3.36Š|
| 757 | T | 45.1 | Very low | 54.9 | Low | 57 Ų | 57 | 53 Ų | 53 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | trans | -75.6 | 162.4 | 174.1 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | W754 Y759 D760 F761 | W754-T757 PolarHBondContact NE1-O 2.94Å; T757-Y759 PolarHBondContact O-N 3.47Å; T757-D760 PolarHBondContact N-OD2 3.15Å; T757-D760 PolarHBondContact O-N 3.29Å; T757-D760 PolarHBondContact OG1-N 3.07Å; T757-D760 PolarHBondContact OG1-OD2 2.9Å; T757-F761 PolarHBondContact O-N 3.2Å; T757-F761 VanDerWaalsContact O-N 3.08Å | ||
| 758 | L | 47.2 | Very low | 53.7 | Low | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.8 | -41.5 | 169.8 | 176.8 | 68.1 | 0 | 0 | 0 | 110.6 | D760 F761 I762 V802 L806 V904 | L758-D760 PolarHBondContact O-N 3.07Å; L758-F761 WeakPolarHBondContact O-CB 3.41Å; L758-F761 PolarHBondContact O-N 3.48Å; L758-F761 VanDerWaalsContact O-N 3.16Å; L758-I762 HydrophobicContact CD1-CD1 3.99Å; L758-I762 HydrophobicContact CD1-CG1 4.17Å; L758-I762 HydrophobicContact CD2-CD1 4.1Å; L758-I762 HydrophobicContact CG-CD1 3.72Å; L758-I762 HydrophobicContact CG-CG1 4.27Å; L758-I762 WeakPolarHBondContact O-CG1 3.5Å; L758-I762 PolarHBondContact O-N 3.41Å; L758-V802 HydrophobicContact CD1-CG1 3.9Å; L758-L806 HydrophobicContact CB-CD2 4.2Å; L758-L806 HydrophobicContact CD1-CD2 4.28Å; L758-L806 HydrophobicContact CD1-CG 4.21Å; L758-L806 HydrophobicContact CD2-CD2 3.98Å; L758-L806 HydrophobicContact CG-CD2 4.36Å; L758-V904 HydrophobicContact CD2-CG2 3.58Å |
| 759 | Y | 44.5 | Very low | 52.8 | Low | 148 Ų | 148 | 60.5 Ų | 60.5 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.4 | -46.9 | 177.4 | 178.5 | -95.6 | 0 | 0 | 0 | 111.7 | T757 F761 I762 K763 | T757-Y759 PolarHBondContact O-N 3.47Å; Y759-F761 VanDerWaalsContact C-N 3.28Å; Y759-F761 PolarHBondContact O-N 2.72Å; Y759-I762 PolarHBondContact O-N 3.33Å; Y759-K763 HydrophobicContact CD1-CD 4.48Å; Y759-K763 HydrophobicContact CE1-CB 4.41Å; Y759-K763 HydrophobicContact CE1-CD 3.6Å; Y759-K763 WeakPolarHBondContact O-CB 3.4Å; Y759-K763 PolarHBondContact O-N 2.9Å |
| 760 | D | 49.1 | Very low | 52 | Low | 57 Ų | 57 | 65.1 Ų | 65.1 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 177 | -65.1 | -46.4 | 0 | 0 | 0 | 111.8 | W754 T757 L758 N764 | W754-D760 HydrophobicContact CZ2-CB 4.03Å; T757-D760 PolarHBondContact N-OD2 3.15Å; T757-D760 PolarHBondContact O-N 3.29Å; T757-D760 PolarHBondContact OG1-N 3.07Å; T757-D760 PolarHBondContact OG1-OD2 2.9Å; L758-D760 PolarHBondContact O-N 3.07Å; D760-N764 WeakPolarHBondContact O-CB 3.12Å; D760-N764 PolarHBondContact O-N 2.84Å; D760-N764 PolarHBondContact O-ND2 3.09Å; D760-N764 VanDerWaalsContact O-ND2 3.13Å |
| 761 | F | 50.2 | Low | 51 | Low | 25 Ų | 25 | 65 Ų | 65 | 11% | 0.11 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -49 | 176.6 | -178.5 | -103.6 | 0 | 0 | 0 | 111.1 | W754 T757 L758 Y759 H765 L766 S801 V802 | W754-F761 HydrophobicContact CD2-CD2 4.23Å; W754-F761 HydrophobicContact CE3-CD2 4.34Å; W754-F761 HydrophobicContact CH2-CB 4.3Å; W754-F761 HydrophobicContact CH2-CD2 4.37Å; W754-F761 HydrophobicContact CZ2-CB 3.6Å; W754-F761 HydrophobicContact CZ2-CD2 4.27Å; W754-F761 HydrophobicContact CZ2-CG 4.45Å; W754-F761 HydrophobicContact CZ3-CD2 4.4Å; T757-F761 PolarHBondContact O-N 3.2Å; T757-F761 VanDerWaalsContact O-N 3.08Å; L758-F761 WeakPolarHBondContact O-CB 3.41Å; L758-F761 PolarHBondContact O-N 3.48Å; L758-F761 VanDerWaalsContact O-N 3.16Å; Y759-F761 VanDerWaalsContact C-N 3.28Å; Y759-F761 PolarHBondContact O-N 2.72Å; F761-H765 HydrophobicContact CD2-CB 4.3Å; F761-H765 HydrophobicContact CE2-CB 4.24Å; F761-H765 WeakPolarHBondContact O-CA 3.45Å; F761-H765 WeakPolarHBondContact O-CB 3.37Å; F761-H765 PolarHBondContact O-N 3.2Å; F761-L766 HydrophobicContact CD1-CD1 3.82Å; F761-L766 HydrophobicContact CD1-CG 4.14Å; F761-L766 HydrophobicContact CE1-CD1 3.58Å; F761-L766 HydrophobicContact CE1-CD2 4.13Å; F761-L766 HydrophobicContact CE1-CG 3.71Å; F761-L766 HydrophobicContact CZ-CD2 4.49Å; F761-L766 HydrophobicContact CZ-CG 4.34Å; F761-L766 PolarHBondContact O-N 3.49Å; F761-S801 WeakPolarHBondContact CE1-OG 3.31Å; F761-S801 WeakPolarHBondContact CZ-OG 3.41Å; F761-V802 HydrophobicContact CE1-CG2 4.25Å |
| 762 | I | 49 | Very low | 49.5 | Very low | 61 Ų | 61 | 70.9 Ų | 70.9 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | I | π-helix | trans | -61.6 | -53.8 | 178.9 | -65.8 | 170.1 | 0 | 0 | 0 | 109.7 | L758 Y759 L766 I767 | L758-I762 HydrophobicContact CD1-CD1 3.99Å; L758-I762 HydrophobicContact CD1-CG1 4.17Å; L758-I762 HydrophobicContact CD2-CD1 4.1Å; L758-I762 HydrophobicContact CG-CD1 3.72Å; L758-I762 HydrophobicContact CG-CG1 4.27Å; L758-I762 WeakPolarHBondContact O-CG1 3.5Å; L758-I762 PolarHBondContact O-N 3.41Å; Y759-I762 PolarHBondContact O-N 3.33Å; I762-L766 HydrophobicContact CB-CD1 4.4Å; I762-L766 HydrophobicContact CG1-CD1 3.87Å; I762-L766 WeakPolarHBondContact O-CB 3.5Å; I762-L766 PolarHBondContact O-N 2.78Å; I762-L766 VanDerWaalsContact O-N 3.12Å; I762-I767 HydrophobicContact CG2-CD1 4.14Å; I762-I767 HydrophobicContact CG2-CG1 4.11Å; I762-I767 WeakPolarHBondContact O-CG1 3.23Å; I762-I767 PolarHBondContact O-N 2.86Å |
| 763 | K | 51.7 | Low | 48.2 | Very low | 99 Ų | 99 | 73.8 Ų | 73.8 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | I | π-helix | trans | -64.2 | -43.5 | -175.7 | -177.6 | 179.5 | 179.7 | 174.2 | 0 | 113.9 | Y759 P768 | Y759-K763 HydrophobicContact CD1-CD 4.48Å; Y759-K763 HydrophobicContact CE1-CB 4.41Å; Y759-K763 HydrophobicContact CE1-CD 3.6Å; Y759-K763 WeakPolarHBondContact O-CB 3.4Å; Y759-K763 PolarHBondContact O-N 2.9Å; K763-P768 VanDerWaalsContact O-CD 3.23Å; K763-P768 WeakPolarHBondContact O-CD 3.19Å; K763-P768 WeakPolarHBondContact O-CG 3.43Å |
| 764 | N | 54.9 | Low | 47.3 | Very low | 83 Ų | 83 | 80 Ų | 80 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | I | π-helix | trans | -95.7 | -18.9 | -170.7 | -56.6 | -37.4 | 0 | 0 | 0 | 113.1 | D760 | D760-N764 WeakPolarHBondContact O-CB 3.12Å; D760-N764 PolarHBondContact O-N 2.84Å; D760-N764 PolarHBondContact O-ND2 3.09Å; D760-N764 VanDerWaalsContact O-ND2 3.13Å |
| 765 | H | 52.7 | Low | 46.8 | Very low | 40 Ų | 40 | 81.4 Ų | 81.4 | 19% | 0.185 | 42% | 0.424 | C | S | . | . | I | π-helix | trans | -126.1 | -36.2 | -174.6 | -64.2 | -51.9 | 0 | 0 | 0 | 115.3 | W754 F761 R769 | W754-H765 AromaticContact CH2-CD2 3.57Å; W754-H765 AromaticContact CH2-NE2 3.66Å; W754-H765 AromaticContact CZ3-CD2 3.51Å; W754-H765 AromaticContact CZ3-NE2 3.37Å; W754-H765 WeakPolarHBondContact CZ3-NE2 3.36Å; F761-H765 HydrophobicContact CD2-CB 4.3Å; F761-H765 HydrophobicContact CE2-CB 4.24Å; F761-H765 WeakPolarHBondContact O-CA 3.45Å; F761-H765 WeakPolarHBondContact O-CB 3.37Å; F761-H765 PolarHBondContact O-N 3.2Å; H765-R769 WeakPolarHBondContact O-CB 3.46Å; H765-R769 WeakPolarHBondContact O-CD 3.48Å; H765-R769 VanDerWaalsContact O-CG 3.26Å; H765-R769 WeakPolarHBondContact O-CG 3.4Å |
| 766 | L | 50.5 | Low | 46.4 | Very low | 22 Ų | 22 | 83.6 Ų | 83.6 | 12% | 0.115 | 43% | 0.429 | C | S | . | . | I | π-helix | trans | -82.6 | -55.5 | 176.6 | -68.9 | 170.5 | 0 | 0 | 0 | 110.5 | F761 I762 R769 Y770 I798 V802 | F761-L766 HydrophobicContact CD1-CD1 3.82Å; F761-L766 HydrophobicContact CD1-CG 4.14Å; F761-L766 HydrophobicContact CE1-CD1 3.58Å; F761-L766 HydrophobicContact CE1-CD2 4.13Å; F761-L766 HydrophobicContact CE1-CG 3.71Å; F761-L766 HydrophobicContact CZ-CD2 4.49Å; F761-L766 HydrophobicContact CZ-CG 4.34Å; F761-L766 PolarHBondContact O-N 3.49Å; I762-L766 HydrophobicContact CB-CD1 4.4Å; I762-L766 HydrophobicContact CG1-CD1 3.87Å; I762-L766 WeakPolarHBondContact O-CB 3.5Å; I762-L766 PolarHBondContact O-N 2.78Å; I762-L766 VanDerWaalsContact O-N 3.12Å; L766-R769 PolarHBondContact O-N 2.94Å; L766-R769 VanDerWaalsContact O-N 3.08Å; L766-Y770 HydrophobicContact CB-CD2 4.3Å; L766-Y770 HydrophobicContact CD2-CD2 4.1Å; L766-Y770 HydrophobicContact CD2-CE2 3.61Å; L766-Y770 WeakPolarHBondContact O-CD2 3.48Å; L766-Y770 PolarHBondContact O-N 3.36Å; L766-I798 HydrophobicContact CD1-CG2 4.35Å; L766-I798 HydrophobicContact CD2-CG1 4.21Å; L766-I798 HydrophobicContact CD2-CG2 4.04Å; L766-V802 HydrophobicContact CD1-CG2 3.89Å |
| 767 | I | 50.5 | Low | 46.1 | Very low | 88 Ų | 88 | 86.2 Ų | 86.2 | 45% | 0.451 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56 | -50.9 | -176.6 | -65.1 | 172.8 | 0 | 0 | 0 | 111.9 | I762 R769 Y770 S771 | I762-I767 HydrophobicContact CG2-CD1 4.14Å; I762-I767 HydrophobicContact CG2-CG1 4.11Å; I762-I767 WeakPolarHBondContact O-CG1 3.23Å; I762-I767 PolarHBondContact O-N 2.86Å; I767-R769 PolarHBondContact O-N 3.18Å; I767-R769 VanDerWaalsContact O-N 3.15Å; I767-Y770 PolarHBondContact O-N 2.88Å; I767-S771 WeakPolarHBondContact O-CA 3.18Å; I767-S771 WeakPolarHBondContact O-CB 3.31Å; I767-S771 PolarHBondContact O-N 3.46Å; I767-S771 PolarHBondContact O-OG 3.5Å |
| 768 | P | 53 | Low | 45.7 | Very low | 81 Ų | 81 | 90.2 Ų | 90.2 | 53% | 0.526 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.6 | -20.8 | -177.8 | -20.8 | 35.6 | 0 | 0 | 0 | 113.4 | K763 | K763-P768 VanDerWaalsContact O-CD 3.23Å; K763-P768 WeakPolarHBondContact O-CD 3.19Å; K763-P768 WeakPolarHBondContact O-CG 3.43Å |
| 769 | R | 50 | Low | 45 | Very low | 120 Ų | 120 | 97.7 Ų | 97.7 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -86.7 | -34.5 | 178 | -78.6 | -170.2 | 177.4 | 126.2 | -0.5 | 113.2 | H765 L766 I767 | H765-R769 WeakPolarHBondContact O-CB 3.46Å; H765-R769 WeakPolarHBondContact O-CD 3.48Å; H765-R769 VanDerWaalsContact O-CG 3.26Å; H765-R769 WeakPolarHBondContact O-CG 3.4Å; L766-R769 PolarHBondContact O-N 2.94Å; L766-R769 VanDerWaalsContact O-N 3.08Å; I767-R769 PolarHBondContact O-N 3.18Å; I767-R769 VanDerWaalsContact O-N 3.15Å |
| 770 | Y | 51.1 | Low | 44.4 | Very low | 99 Ų | 99 | 95.1 Ų | 95.1 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -101.2 | -6.7 | -178.9 | -66.6 | -72.2 | 0 | 0 | 0 | 113.4 | L766 I767 I772 D794 I798 | L766-Y770 HydrophobicContact CB-CD2 4.3Å; L766-Y770 HydrophobicContact CD2-CD2 4.1Å; L766-Y770 HydrophobicContact CD2-CE2 3.61Å; L766-Y770 WeakPolarHBondContact O-CD2 3.48Å; L766-Y770 PolarHBondContact O-N 3.36Å; I767-Y770 PolarHBondContact O-N 2.88Å; Y770-I772 PolarHBondContact O-N 3.37Å; Y770-D794 HydrophobicContact CE1-CB 4.46Å; Y770-I798 HydrophobicContact CD1-CD1 4.5Å; Y770-I798 HydrophobicContact CD2-CD1 4.35Å; Y770-I798 HydrophobicContact CE1-CD1 3.82Å; Y770-I798 HydrophobicContact CE1-CG1 4.4Å; Y770-I798 HydrophobicContact CE2-CD1 3.67Å; Y770-I798 HydrophobicContact CE2-CG1 3.65Å; Y770-I798 VanDerWaalsContact CZ-CG1 3.49Å; Y770-I798 WeakPolarHBondContact OH-CD1 3.17Å; Y770-I798 WeakPolarHBondContact OH-CG1 3.41Å |
| 771 | S | 45.6 | Very low | 43.7 | Very low | 68 Ų | 68 | 100.6 Ų | 100.6 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | trans | -59.9 | 92.6 | 164.3 | -82.9 | 0 | 0 | 0 | 0 | 107.7 | I767 N773 | I767-S771 WeakPolarHBondContact O-CA 3.18Å; I767-S771 WeakPolarHBondContact O-CB 3.31Å; I767-S771 PolarHBondContact O-N 3.46Å; I767-S771 PolarHBondContact O-OG 3.5Å; S771-N773 PolarHBondContact O-N 3.41Å | ||
| 772 | I | 37.3 | Very low | 42.9 | Very low | 134 Ų | 134 | 104 Ų | 104 | 69% | 0.687 | 55% | 0.548 | S | S | * | . | trans | -51.6 | 111.7 | 164.5 | -60.4 | 164.6 | 0 | 0 | 0 | 104.5 | Y770 E774 | Y770-I772 PolarHBondContact O-N 3.37Å; I772-E774 VanDerWaalsContact C-N 3.29Å; I772-E774 PolarHBondContact O-N 3.27Å | ||
| 773 | N | 37.4 | Very low | 42.1 | Very low | 107 Ų | 107 | 109.1 Ų | 109.1 | 57% | 0.572 | 56% | 0.564 | S | S | * | * | trans | -59.7 | 102.2 | 166.5 | -76.5 | -21.3 | 0 | 0 | 0 | 105.8 | S771 T775 D776 | S771-N773 PolarHBondContact O-N 3.41Å; N773-T775 PolarHBondContact O-N 3.41Å; N773-D776 PolarHBondContact O-N 3.1Å | ||
| 774 | E | 38.3 | Very low | 41.3 | Very low | 165 Ų | 165 | 109 Ų | 109 | 77% | 0.771 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -12.7 | 174.5 | -73.9 | -175.8 | 153 | 0 | 0 | 112.3 | I772 T777 | I772-E774 VanDerWaalsContact C-N 3.29Å; I772-E774 PolarHBondContact O-N 3.27Å; E774-T777 PolarHBondContact O-OG1 3.07Å |
| 775 | T | 38.5 | Very low | 40.4 | Very low | 109 Ų | 109 | 110.6 Ų | 110.6 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -19.3 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 114.8 | N773 T777 | N773-T775 PolarHBondContact O-N 3.41Å; T775-T777 VanDerWaalsContact C-N 3.35Å |
| 776 | D | 36.2 | Very low | 39.4 | Very low | 129 Ų | 129 | 114.6 Ų | 114.6 | 69% | 0.69 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -84.8 | -10.2 | -179.3 | -72 | -15.5 | 0 | 0 | 0 | 113.2 | N773 I778 | N773-D776 PolarHBondContact O-N 3.1Å; D776-I778 VanDerWaalsContact C-N 3.29Å; D776-I778 PolarHBondContact O-N 3.23Å |
| 777 | T | 34.7 | Very low | 38.6 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 55% | 0.546 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -77.2 | -1 | 178 | 30.5 | 0 | 0 | 0 | 0 | 115.6 | E774 T775 | E774-T777 PolarHBondContact O-OG1 3.07Å; T775-T777 VanDerWaalsContact C-N 3.35Å |
| 778 | I | 36.5 | Very low | 37.6 | Very low | 141 Ų | 141 | 120.1 Ų | 120.1 | 72% | 0.723 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -99.9 | -6 | -175.9 | -59.9 | -179.9 | 0 | 0 | 0 | 113.9 | D776 | D776-I778 VanDerWaalsContact C-N 3.29Å; D776-I778 PolarHBondContact O-N 3.23Å |
| 779 | K | 34.2 | Very low | 36.6 | Very low | 187 Ų | 187 | 119.9 Ų | 119.9 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -142.7 | 77.9 | -179.4 | -65.7 | -173.9 | -177.8 | 176.8 | 0 | 114 | ||
| 780 | S | 30.2 | Very low | 35.7 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 66% | 0.657 | 65% | 0.65 | S | S | * | * | trans | 176.8 | 108 | 133.4 | 40.9 | 0 | 0 | 0 | 0 | 111 | S782 | S780-S782 VanDerWaalsContact C-N 3.28Å; S780-S782 PolarHBondContact O-N 2.89Å | ||
| 781 | D | 35 | Very low | 34.7 | Very low | 172 Ų | 172 | 119.5 Ų | 119.5 | 92% | 0.92 | 66% | 0.656 | S | S | * | * | trans | -69.9 | 82.2 | 167.1 | -69.5 | -41.4 | 0 | 0 | 0 | 109.9 | ||||
| 782 | S | 33.3 | Very low | 34.2 | Very low | 96 Ų | 96 | 119.8 Ų | 119.8 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | trans | -173.3 | 95 | 152.5 | 51.7 | 0 | 0 | 0 | 0 | 109.6 | S780 P784 | S780-S782 VanDerWaalsContact C-N 3.28Å; S780-S782 PolarHBondContact O-N 2.89Å; S782-P784 VanDerWaalsContact O-CD 3.26Å; S782-P784 WeakPolarHBondContact O-CD 3.49Å | ||
| 783 | Y | 32.9 | Very low | 34.4 | Very low | 169 Ų | 169 | 116.3 Ų | 116.3 | 66% | 0.663 | 64% | 0.637 | S | S | * | * | trans | -88.9 | 113.8 | 176.5 | -78.5 | -87.7 | 0 | 0 | 0 | 110.5 | I787 | Y783-I787 HydrophobicContact CD1-CD1 3.98Å; Y783-I787 HydrophobicContact CE1-CD1 4.14Å | ||
| 784 | P | 34.1 | Very low | 34.7 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 62% | 0.617 | 62% | 0.618 | S | S | * | * | trans | -85 | 135.2 | 162.3 | 30 | -22.1 | 0 | 0 | 0 | 109.3 | S782 N786 | S782-P784 VanDerWaalsContact O-CD 3.26Å; S782-P784 WeakPolarHBondContact O-CD 3.49Å; P784-N786 PolarHBondContact O-N 3.31Å | ||
| 785 | S | 35.5 | Very low | 35 | Very low | 118 Ų | 118 | 106.6 Ų | 106.6 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 17.7 | -169.6 | -29.5 | 0 | 0 | 0 | 0 | 117.6 | ||
| 786 | N | 33 | Very low | 35.3 | Very low | 124 Ų | 124 | 107.1 Ų | 107.1 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -2.2 | -173.9 | -78.8 | -18.2 | 0 | 0 | 0 | 114.9 | P784 | P784-N786 PolarHBondContact O-N 3.31Š|
| 787 | I | 32.9 | Very low | 35.8 | Very low | 88 Ų | 88 | 104.1 Ų | 104.1 | 45% | 0.451 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.8 | -37.1 | -179.3 | -69.1 | 178.2 | 0 | 0 | 0 | 111.9 | Y783 A789 L790 F791 | Y783-I787 HydrophobicContact CD1-CD1 3.98Å; Y783-I787 HydrophobicContact CE1-CD1 4.14Å; I787-A789 VanDerWaalsContact C-N 3.32Å; I787-A789 PolarHBondContact O-N 3.28Å; I787-L790 WeakPolarHBondContact O-CB 3.47Å; I787-L790 PolarHBondContact O-N 3.13Å; I787-L790 VanDerWaalsContact O-N 3.11Å; I787-F791 HydrophobicContact CG2-CD2 3.96Å; I787-F791 HydrophobicContact CG2-CE2 3.35Å; I787-F791 HydrophobicContact CG2-CZ 4.23Å; I787-F791 VanDerWaalsContact O-CD2 3.28Å; I787-F791 WeakPolarHBondContact O-CD2 3.38Å |
| 788 | L | 28.8 | Very low | 36.3 | Very low | 138 Ų | 138 | 101.7 Ų | 101.7 | 72% | 0.723 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.9 | -30.5 | -179.5 | -84.3 | 164.1 | 0 | 0 | 0 | 113.6 | L790 | L788-L790 VanDerWaalsContact C-N 3.29Å; L788-L790 PolarHBondContact O-N 2.87Å |
| 789 | A | 32.7 | Very low | 36.8 | Very low | 76 Ų | 76 | 98 Ų | 98 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.9 | -23.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I787 | I787-A789 VanDerWaalsContact C-N 3.32Å; I787-A789 PolarHBondContact O-N 3.28Å |
| 790 | L | 31.4 | Very low | 37.3 | Very low | 95 Ų | 95 | 90.9 Ų | 90.9 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.8 | -36.2 | 179 | -131.8 | 82.5 | 0 | 0 | 0 | 111.9 | W51 I787 L788 H792 S793 | W51-L790 HydrophobicContact CH2-CD2 4.46Å; W51-L790 HydrophobicContact CZ3-CD2 4.32Å; I787-L790 WeakPolarHBondContact O-CB 3.47Å; I787-L790 PolarHBondContact O-N 3.13Å; I787-L790 VanDerWaalsContact O-N 3.11Å; L788-L790 VanDerWaalsContact C-N 3.29Å; L788-L790 PolarHBondContact O-N 2.87Å; L790-H792 VanDerWaalsContact C-N 3.34Å; L790-H792 PolarHBondContact O-N 3.42Å; L790-S793 PolarHBondContact O-N 2.96Å; L790-S793 PolarHBondContact O-OG 2.63Å; L790-S793 VanDerWaalsContact O-OG 3.11Å |
| 791 | F | 30.5 | Very low | 38 | Very low | 116 Ų | 116 | 87.7 Ų | 87.7 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -28.8 | -175.5 | -77.2 | -65.8 | 0 | 0 | 0 | 114.2 | I787 D794 T795 | I787-F791 HydrophobicContact CG2-CD2 3.96Å; I787-F791 HydrophobicContact CG2-CE2 3.35Å; I787-F791 HydrophobicContact CG2-CZ 4.23Å; I787-F791 VanDerWaalsContact O-CD2 3.28Å; I787-F791 WeakPolarHBondContact O-CD2 3.38Å; F791-D794 PolarHBondContact O-N 2.95Å; F791-T795 PolarHBondContact O-N 3.24Å |
| 792 | H | 35.7 | Very low | 38.5 | Very low | 73 Ų | 73 | 80.2 Ų | 80.2 | 34% | 0.338 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.9 | -35.9 | -179.8 | -85.3 | -63.6 | 0 | 0 | 0 | 113.4 | L790 D794 T795 C864 V866 | L790-H792 VanDerWaalsContact C-N 3.34Å; L790-H792 PolarHBondContact O-N 3.42Å; H792-D794 PolarHBondContact O-N 2.68Å; H792-T795 PolarHBondContact O-OG1 3.29Å; H792-C864 PolarHBondContact CE1-SG 2.83Å; H792-C864 PolarHBondContact ND1-SG 2.95Å; H792-C864 VanDerWaalsContact ND1-SG 3.42Å; H792-V866 WeakPolarHBondContact NE2-CG2 3.13Å |
| 793 | S | 40.4 | Very low | 39.2 | Very low | 62 Ų | 62 | 76.5 Ų | 76.5 | 43% | 0.434 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.9 | -22 | 177.9 | 61 | 0 | 0 | 0 | 0 | 113.3 | L790 Q797 | L790-S793 PolarHBondContact O-N 2.96Å; L790-S793 PolarHBondContact O-OG 2.63Å; L790-S793 VanDerWaalsContact O-OG 3.11Å; S793-Q797 WeakPolarHBondContact O-CG 3.43Å; S793-Q797 PolarHBondContact O-NE2 3.19Å |
| 794 | D | 44.4 | Very low | 39.8 | Very low | 30 Ų | 30 | 69.9 Ų | 69.9 | 16% | 0.16 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -84.4 | -35.2 | -176.4 | -74.4 | -3.6 | 0 | 0 | 0 | 111.8 | Y770 F791 H792 D796 Q797 I798 | Y770-D794 HydrophobicContact CE1-CB 4.46Å; F791-D794 PolarHBondContact O-N 2.95Å; H792-D794 PolarHBondContact O-N 2.68Å; D794-D796 PolarHBondContact O-N 3.21Å; D794-Q797 WeakPolarHBondContact O-CB 3.22Å; D794-Q797 PolarHBondContact O-N 3.44Å; D794-Q797 VanDerWaalsContact O-N 3.15Å; D794-I798 VanDerWaalsContact O-CG1 3.24Å; D794-I798 WeakPolarHBondContact O-CG1 2.92Å; D794-I798 PolarHBondContact O-N 3.14Å |
| 795 | T | 45.1 | Very low | 40.4 | Very low | 38 Ų | 38 | 66.3 Ų | 66.3 | 23% | 0.233 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.4 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | F791 H792 Q797 I798 L799 | F791-T795 PolarHBondContact O-N 3.24Å; H792-T795 PolarHBondContact O-OG1 3.29Å; T795-Q797 VanDerWaalsContact C-N 3.28Å; T795-Q797 PolarHBondContact O-N 2.97Å; T795-I798 PolarHBondContact O-N 3.47Å; T795-L799 PolarHBondContact O-N 2.78Å |
| 796 | D | 44.3 | Very low | 40.8 | Very low | 119 Ų | 119 | 63.3 Ų | 63.3 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.1 | -36.3 | 175.5 | -75.9 | -17.1 | 0 | 0 | 0 | 112.2 | D794 A800 | D794-D796 PolarHBondContact O-N 3.21Å; D796-A800 WeakPolarHBondContact O-CB 3.38Å; D796-A800 PolarHBondContact O-N 3.47Å |
| 797 | Q | 45.6 | Very low | 41.5 | Very low | 66 Ų | 66 | 58.1 Ų | 58.1 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.5 | -41.9 | 176.3 | -77.6 | 175.7 | 71.5 | 0 | 0 | 112 | R71 S793 D794 T795 A800 S801 | R71-Q797 VanDerWaalsContact NH2-OE1 3.13Å; S793-Q797 WeakPolarHBondContact O-CG 3.43Å; S793-Q797 PolarHBondContact O-NE2 3.19Å; D794-Q797 WeakPolarHBondContact O-CB 3.22Å; D794-Q797 PolarHBondContact O-N 3.44Å; D794-Q797 VanDerWaalsContact O-N 3.15Å; T795-Q797 VanDerWaalsContact C-N 3.28Å; T795-Q797 PolarHBondContact O-N 2.97Å; Q797-A800 PolarHBondContact O-N 2.98Å; Q797-S801 VanDerWaalsContact O-CB 3.23Å; Q797-S801 WeakPolarHBondContact O-CB 2.89Å; Q797-S801 PolarHBondContact O-N 3.38Å; Q797-S801 PolarHBondContact O-OG 2.74Å |
| 798 | I | 46.1 | Very low | 42.4 | Very low | 38 Ų | 38 | 55.6 Ų | 55.6 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -52.6 | 174.5 | -65.4 | 164 | 0 | 0 | 0 | 108.8 | L766 Y770 D794 T795 A800 S801 V802 | L766-I798 HydrophobicContact CD1-CG2 4.35Å; L766-I798 HydrophobicContact CD2-CG1 4.21Å; L766-I798 HydrophobicContact CD2-CG2 4.04Å; Y770-I798 HydrophobicContact CD1-CD1 4.5Å; Y770-I798 HydrophobicContact CD2-CD1 4.35Å; Y770-I798 HydrophobicContact CE1-CD1 3.82Å; Y770-I798 HydrophobicContact CE1-CG1 4.4Å; Y770-I798 HydrophobicContact CE2-CD1 3.67Å; Y770-I798 HydrophobicContact CE2-CG1 3.65Å; Y770-I798 VanDerWaalsContact CZ-CG1 3.49Å; Y770-I798 WeakPolarHBondContact OH-CD1 3.17Å; Y770-I798 WeakPolarHBondContact OH-CG1 3.41Å; D794-I798 VanDerWaalsContact O-CG1 3.24Å; D794-I798 WeakPolarHBondContact O-CG1 2.92Å; D794-I798 PolarHBondContact O-N 3.14Å; T795-I798 PolarHBondContact O-N 3.47Å; I798-A800 VanDerWaalsContact C-N 3.35Å; I798-A800 PolarHBondContact O-N 3.26Å; I798-S801 PolarHBondContact O-N 3.13Å; I798-S801 VanDerWaalsContact O-N 3.07Å; I798-S801 PolarHBondContact O-OG 3.46Å; I798-V802 HydrophobicContact CG2-CG2 4.24Å; I798-V802 WeakPolarHBondContact O-CG2 2.98Å; I798-V802 PolarHBondContact O-N 2.85Å |
| 799 | L | 46.3 | Very low | 43.9 | Very low | 65 Ų | 65 | 51.7 Ų | 51.7 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | -179.7 | -122.2 | 92.5 | 0 | 0 | 0 | 111.4 | T795 S801 V802 A803 W825 | T795-L799 PolarHBondContact O-N 2.78Å; L799-S801 VanDerWaalsContact C-N 3.29Å; L799-S801 PolarHBondContact O-N 3.02Å; L799-V802 PolarHBondContact O-N 2.83Å; L799-A803 WeakPolarHBondContact O-CB 3.42Å; L799-A803 PolarHBondContact O-N 3.16Å; L799-W825 HydrophobicContact CD2-CE3 3.98Å; L799-W825 HydrophobicContact CD2-CZ3 4.12Å |
| 800 | A | 44.2 | Very low | 45.3 | Very low | 36 Ų | 36 | 48.1 Ų | 48.1 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A65 D796 Q797 I798 A804 | A65-A800 HydrophobicContact CB-CB 4.5Å; D796-A800 WeakPolarHBondContact O-CB 3.38Å; D796-A800 PolarHBondContact O-N 3.47Å; Q797-A800 PolarHBondContact O-N 2.98Å; I798-A800 VanDerWaalsContact C-N 3.35Å; I798-A800 PolarHBondContact O-N 3.26Å; A800-A804 WeakPolarHBondContact O-CB 3.02Å; A800-A804 PolarHBondContact O-N 3.23Å |
| 801 | S | 45.1 | Very low | 46.7 | Very low | 27 Ų | 27 | 46.7 Ų | 46.7 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 178.4 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | F761 Q797 I798 L799 A804 S805 | F761-S801 WeakPolarHBondContact CE1-OG 3.31Å; F761-S801 WeakPolarHBondContact CZ-OG 3.41Å; Q797-S801 VanDerWaalsContact O-CB 3.23Å; Q797-S801 WeakPolarHBondContact O-CB 2.89Å; Q797-S801 PolarHBondContact O-N 3.38Å; Q797-S801 PolarHBondContact O-OG 2.74Å; I798-S801 PolarHBondContact O-N 3.13Å; I798-S801 VanDerWaalsContact O-N 3.07Å; I798-S801 PolarHBondContact O-OG 3.46Å; L799-S801 VanDerWaalsContact C-N 3.29Å; L799-S801 PolarHBondContact O-N 3.02Å; S801-A804 WeakPolarHBondContact O-CB 3.31Å; S801-A804 PolarHBondContact O-N 2.86Å; S801-S805 PolarHBondContact O-N 3.44Å; S801-S805 PolarHBondContact O-OG 3.39Å |
| 802 | V | 45.8 | Very low | 47.9 | Very low | 16 Ų | 16 | 45 Ų | 45 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.1 | -45.7 | 173.7 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | L758 F761 L766 I798 L799 A804 S805 L806 | L758-V802 HydrophobicContact CD1-CG1 3.9Å; F761-V802 HydrophobicContact CE1-CG2 4.25Å; L766-V802 HydrophobicContact CD1-CG2 3.89Å; I798-V802 HydrophobicContact CG2-CG2 4.24Å; I798-V802 WeakPolarHBondContact O-CG2 2.98Å; I798-V802 PolarHBondContact O-N 2.85Å; L799-V802 PolarHBondContact O-N 2.83Å; V802-A804 VanDerWaalsContact C-N 3.26Å; V802-A804 PolarHBondContact O-N 2.81Å; V802-S805 WeakPolarHBondContact CA-OG 3.23Å; V802-S805 PolarHBondContact O-N 2.82Å; V802-S805 PolarHBondContact O-OG 3.48Å; V802-L806 HydrophobicContact CG1-CD1 3.78Å; V802-L806 HydrophobicContact CG1-CG 4.34Å; V802-L806 VanDerWaalsContact O-CB 3.29Å; V802-L806 WeakPolarHBondContact O-CB 3.46Å; V802-L806 VanDerWaalsContact O-CG 3.25Å; V802-L806 WeakPolarHBondContact O-CG 3.39Å; V802-L806 PolarHBondContact O-N 3.33Å |
| 803 | A | 47.5 | Very low | 48.6 | Very low | 18 Ų | 18 | 46.7 Ų | 46.7 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.3 | -41 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L799 L806 S807 L822 | L799-A803 WeakPolarHBondContact O-CB 3.42Å; L799-A803 PolarHBondContact O-N 3.16Å; A803-L806 PolarHBondContact O-N 3.37Å; A803-S807 WeakPolarHBondContact O-CB 3.38Å; A803-S807 PolarHBondContact O-N 3.29Å; A803-L822 HydrophobicContact CB-CD1 3.69Å; A803-L822 HydrophobicContact CB-CD2 3.81Å; A803-L822 HydrophobicContact CB-CG 4.27Å |
| 804 | A | 46.6 | Very low | 48.7 | Very low | 29 Ų | 29 | 46.7 Ų | 46.7 | 24% | 0.24 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N752 A800 S801 V802 S807 | N752-A804 WeakPolarHBondContact ND2-CA 3.38Å; N752-A804 WeakPolarHBondContact ND2-CB 3.31Å; N752-A804 PolarHBondContact ND2-O 3.49Å; A800-A804 WeakPolarHBondContact O-CB 3.02Å; A800-A804 PolarHBondContact O-N 3.23Å; S801-A804 WeakPolarHBondContact O-CB 3.31Å; S801-A804 PolarHBondContact O-N 2.86Å; V802-A804 VanDerWaalsContact C-N 3.26Å; V802-A804 PolarHBondContact O-N 2.81Å; A804-S807 PolarHBondContact O-OG 3.1Å |
| 805 | S | 46.8 | Very low | 48.8 | Very low | 21 Ų | 21 | 45.8 Ų | 45.8 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -75.1 | -28.3 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | S801 V802 | S801-S805 PolarHBondContact O-N 3.44Å; S801-S805 PolarHBondContact O-OG 3.39Å; V802-S805 WeakPolarHBondContact CA-OG 3.23Å; V802-S805 PolarHBondContact O-N 2.82Å; V802-S805 PolarHBondContact O-OG 3.48Å |
| 806 | L | 43.7 | Very low | 48.7 | Very low | 55 Ų | 55 | 44.3 Ų | 44.3 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -79 | -23.7 | 173.7 | -73.4 | 175.3 | 0 | 0 | 0 | 113.7 | L758 V802 A803 G808 Y818 V903 | L758-L806 HydrophobicContact CB-CD2 4.2Å; L758-L806 HydrophobicContact CD1-CD2 4.28Å; L758-L806 HydrophobicContact CD1-CG 4.21Å; L758-L806 HydrophobicContact CD2-CD2 3.98Å; L758-L806 HydrophobicContact CG-CD2 4.36Å; V802-L806 HydrophobicContact CG1-CD1 3.78Å; V802-L806 HydrophobicContact CG1-CG 4.34Å; V802-L806 VanDerWaalsContact O-CB 3.29Å; V802-L806 WeakPolarHBondContact O-CB 3.46Å; V802-L806 VanDerWaalsContact O-CG 3.25Å; V802-L806 WeakPolarHBondContact O-CG 3.39Å; V802-L806 PolarHBondContact O-N 3.33Å; A803-L806 PolarHBondContact O-N 3.37Å; L806-G808 VanDerWaalsContact C-N 3.33Å; L806-G808 PolarHBondContact O-N 2.95Å; L806-Y818 HydrophobicContact CB-CE1 3.92Å; L806-Y818 HydrophobicContact CD1-CE1 4.41Å; L806-Y818 VanDerWaalsContact CD1-OH 3.3Å; L806-Y818 WeakPolarHBondContact CD1-OH 3.11Å; L806-V903 HydrophobicContact CD1-CG1 4.39Å |
| 807 | S | 47.4 | Very low | 48.7 | Very low | 14 Ų | 14 | 42.3 Ų | 42.3 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | trans | -68.5 | 95.7 | 176.3 | 66 | 0 | 0 | 0 | 0 | 108.6 | N752 A803 A804 | N752-S807 PolarHBondContact ND2-OG 2.82Å; N752-S807 VanDerWaalsContact ND2-OG 3.13Å; N752-S807 PolarHBondContact OD1-OG 3.39Å; A803-S807 WeakPolarHBondContact O-CB 3.38Å; A803-S807 PolarHBondContact O-N 3.29Å; A804-S807 PolarHBondContact O-OG 3.1Å | ||
| 808 | G | 51.9 | Low | 48.6 | Very low | 35 Ų | 35 | 42.5 Ų | 42.5 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | trans | -54.4 | 171.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L806 I810 S815 | L806-G808 VanDerWaalsContact C-N 3.33Å; L806-G808 PolarHBondContact O-N 2.95Å; G808-I810 PolarHBondContact O-N 3.15Å; G808-S815 PolarHBondContact O-OG 2.92Å | ||
| 809 | C | 59.6 | Low | 48.7 | Very low | 57 Ų | 57 | 41.2 Ų | 41.2 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | trans | -58.5 | 138.1 | -179 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | W811 D812 S815 | C809-W811 HydrophobicContact CB-CD2 4Å; C809-W811 HydrophobicContact CB-CG 4.17Å; C809-W811 HydrophobicContact CB-CZ2 3.78Å; C809-W811 PolarHBondContact O-N 2.83Å; C809-D812 WeakPolarHBondContact O-CB 3.34Å; C809-D812 PolarHBondContact O-N 3.05Å; C809-S815 PolarHBondContact O-OG 2.86Å | ||
| 810 | I | 63.7 | Low | 48.6 | Very low | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.6 | -176.8 | -164.7 | 175.5 | 0 | 0 | 0 | 114.9 | Y299 L302 C740 L744 Y749 G808 D812 | Y299-I810 HydrophobicContact CE1-CG2 3.91Å; L302-I810 HydrophobicContact CD2-CG2 4.17Å; C740-I810 HydrophobicContact CB-CD1 3.87Å; C740-I810 HydrophobicContact CB-CG1 4Å; C740-I810 VanDerWaalsContact O-CD1 3.27Å; C740-I810 WeakPolarHBondContact O-CD1 3.46Å; C740-I810 PolarHBondContact SG-O 3.35Å; L744-I810 HydrophobicContact CB-CD1 4.48Å; Y749-I810 HydrophobicContact CD1-CB 3.83Å; Y749-I810 HydrophobicContact CD1-CD1 3.68Å; Y749-I810 HydrophobicContact CD1-CG1 4.16Å; Y749-I810 HydrophobicContact CD1-CG2 4.3Å; Y749-I810 HydrophobicContact CD2-CB 4.14Å; Y749-I810 HydrophobicContact CD2-CD1 4.46Å; Y749-I810 HydrophobicContact CD2-CG1 4.34Å; Y749-I810 HydrophobicContact CE1-CB 3.66Å; Y749-I810 HydrophobicContact CE1-CD1 4.38Å; Y749-I810 HydrophobicContact CE1-CG1 4.49Å; Y749-I810 HydrophobicContact CE1-CG2 3.98Å; Y749-I810 HydrophobicContact CE2-CB 3.97Å; Y749-I810 HydrophobicContact CG-CB 4.04Å; Y749-I810 HydrophobicContact CG-CD1 3.7Å; Y749-I810 HydrophobicContact CG-CG1 4.05Å; Y749-I810 PolarHBondContact OH-N 3.48Å; G808-I810 PolarHBondContact O-N 3.15Å; I810-D812 PolarHBondContact O-N 3.49Å |
| 811 | W | 59.8 | Low | 48.6 | Very low | 65 Ų | 65 | 42.8 Ų | 42.8 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -8.9 | 177.2 | 35.6 | 81.2 | 0 | 0 | 0 | 113.9 | R298 Y299 C809 | R298-W811 HydrophobicContact CG-CE3 4.46Å; R298-W811 HydrophobicContact CG-CH2 4.43Å; R298-W811 HydrophobicContact CG-CZ3 4.03Å; R298-W811 VanDerWaalsContact NH1-CD2 3.28Å; Y299-W811 HydrophobicContact CD1-CH2 4.33Å; Y299-W811 AromaticContact CD1-CZ3 3.86Å; Y299-W811 HydrophobicContact CD1-CZ3 3.86Å; Y299-W811 HydrophobicContact CD2-CH2 4.36Å; Y299-W811 HydrophobicContact CE1-CE3 4.34Å; Y299-W811 AromaticContact CE1-CH2 3.68Å; Y299-W811 HydrophobicContact CE1-CH2 3.68Å; Y299-W811 AromaticContact CE1-CZ3 3.35Å; Y299-W811 HydrophobicContact CE1-CZ3 3.35Å; Y299-W811 AromaticContact CE2-CH2 3.72Å; Y299-W811 HydrophobicContact CE2-CH2 3.72Å; Y299-W811 HydrophobicContact CE2-CZ3 4.22Å; Y299-W811 HydrophobicContact CG-CZ3 4.47Å; Y299-W811 AromaticContact CZ-CH2 3.34Å; Y299-W811 AromaticContact CZ-CZ3 3.58Å; Y299-W811 WeakPolarHBondContact OH-CH2 3.41Å; C809-W811 HydrophobicContact CB-CD2 4Å; C809-W811 HydrophobicContact CB-CG 4.17Å; C809-W811 HydrophobicContact CB-CZ2 3.78Å; C809-W811 PolarHBondContact O-N 2.83Å |
| 812 | D | 56.8 | Low | 48.4 | Very low | 80 Ų | 80 | 42.9 Ų | 42.9 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -82.5 | 124.8 | 167.9 | -169.7 | -3.8 | 0 | 0 | 0 | 109.9 | C809 I810 C814 S815 | C809-D812 WeakPolarHBondContact O-CB 3.34Å; C809-D812 PolarHBondContact O-N 3.05Å; I810-D812 PolarHBondContact O-N 3.49Å; D812-C814 PolarHBondContact O-N 3.07Å; D812-C814 PolarHBondContact OD1-N 3.49Å; D812-S815 WeakPolarHBondContact O-CB 3.45Å; D812-S815 PolarHBondContact O-N 3.09Å; D812-S815 VanDerWaalsContact O-N 3.11Å; D812-S815 PolarHBondContact O-OG 3.5Å |
| 813 | M | 48.5 | Very low | 48.4 | Very low | 108 Ų | 108 | 44 Ų | 44 | 53% | 0.532 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.7 | -30.7 | -176 | -88.7 | -177.6 | 66.8 | 0 | 0 | 113.3 | W736 S815 | W736-M813 HydrophobicContact CD2-CG 3.87Å; W736-M813 HydrophobicContact CE3-CG 4Å; W736-M813 VanDerWaalsContact CH2-CA 3.46Å; W736-M813 HydrophobicContact CH2-CB 4.14Å; W736-M813 HydrophobicContact CH2-CG 3.81Å; W736-M813 VanDerWaalsContact CZ2-CA 3.43Å; W736-M813 HydrophobicContact CZ2-CB 4.15Å; W736-M813 HydrophobicContact CZ2-CG 3.66Å; W736-M813 HydrophobicContact CZ3-CG 3.96Å; M813-S815 PolarHBondContact O-N 3.17Å |
| 814 | C | 44 | Very low | 48 | Very low | 63 Ų | 63 | 43.3 Ų | 43.3 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -28.5 | -179.9 | -55.5 | 0 | 0 | 0 | 0 | 112.5 | D812 C967 | D812-C814 PolarHBondContact O-N 3.07Å; D812-C814 PolarHBondContact OD1-N 3.49Å; C814-C967 PolarHBondContact SG-SG 2.8Å |
| 815 | S | 45 | Very low | 47.9 | Very low | 10 Ų | 10 | 47.5 Ų | 47.5 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.5 | -34.7 | -174.2 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | G808 C809 D812 M813 A817 Y818 L819 | G808-S815 PolarHBondContact O-OG 2.92Å; C809-S815 PolarHBondContact O-OG 2.86Å; D812-S815 WeakPolarHBondContact O-CB 3.45Å; D812-S815 PolarHBondContact O-N 3.09Å; D812-S815 VanDerWaalsContact O-N 3.11Å; D812-S815 PolarHBondContact O-OG 3.5Å; M813-S815 PolarHBondContact O-N 3.17Å; S815-A817 PolarHBondContact O-N 3.43Å; S815-Y818 PolarHBondContact O-N 2.96Å; S815-L819 WeakPolarHBondContact O-CG 3.32Å; S815-L819 PolarHBondContact O-N 3.22Å |
| 816 | D | 45 | Very low | 47.7 | Very low | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.5 | -34.3 | -171.5 | -168.9 | 67.6 | 0 | 0 | 0 | 113.7 | K422 W736 S743 Y818 H820 | K422-D816 WeakPolarHBondContact CE-OD2 3.41Å; K422-D816 IonicContact NZ-OD1 2.75Å; K422-D816 IonicContact NZ-OD2 3.16Å; K422-D816 PolarHBondContact NZ-OD2 3.01Å; W736-D816 HydrophobicContact CH2-CB 3.55Å; W736-D816 HydrophobicContact CZ3-CB 3.94Å; S743-D816 PolarHBondContact OG-OD1 3.35Å; D816-Y818 VanDerWaalsContact C-N 3.3Å; D816-Y818 PolarHBondContact O-N 3.44Å; D816-H820 PolarHBondContact O-CD2 3.44Å |
| 817 | A | 42.7 | Very low | 47.6 | Very low | 77 Ų | 77 | 50.9 Ų | 50.9 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.2 | -40.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S815 | S815-A817 PolarHBondContact O-N 3.43Å |
| 818 | Y | 44.7 | Very low | 47.4 | Very low | 69 Ų | 69 | 52.3 Ų | 52.3 | 27% | 0.271 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.9 | -39.1 | -179.5 | -164.8 | -114.1 | 0 | 0 | 0 | 112.5 | L806 S815 D816 H820 W821 L822 | L806-Y818 HydrophobicContact CB-CE1 3.92Å; L806-Y818 HydrophobicContact CD1-CE1 4.41Å; L806-Y818 VanDerWaalsContact CD1-OH 3.3Å; L806-Y818 WeakPolarHBondContact CD1-OH 3.11Å; S815-Y818 PolarHBondContact O-N 2.96Å; D816-Y818 VanDerWaalsContact C-N 3.3Å; D816-Y818 PolarHBondContact O-N 3.44Å; Y818-H820 PolarHBondContact O-N 2.91Å; Y818-W821 HydrophobicContact CE2-CE3 4.29Å; Y818-W821 HydrophobicContact CE2-CZ3 4.47Å; Y818-W821 WeakPolarHBondContact O-CB 3.32Å; Y818-W821 PolarHBondContact O-N 3.48Å; Y818-L822 HydrophobicContact CD1-CD1 3.4Å; Y818-L822 HydrophobicContact CD1-CG 4.04Å; Y818-L822 HydrophobicContact CE1-CD1 3.27Å; Y818-L822 HydrophobicContact CE1-CD2 4.08Å; Y818-L822 HydrophobicContact CE1-CG 3.83Å; Y818-L822 HydrophobicContact CG-CD1 4.28Å; Y818-L822 WeakPolarHBondContact O-CG 3.48Å; Y818-L822 PolarHBondContact O-N 3.39Å |
| 819 | L | 47 | Very low | 46.8 | Very low | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | -176.2 | -74.1 | 165.1 | 0 | 0 | 0 | 114.2 | I748 Y749 S815 D823 | I748-L819 HydrophobicContact CG2-CB 4.45Å; Y749-L819 HydrophobicContact CD2-CD1 3.54Å; Y749-L819 HydrophobicContact CD2-CD2 3.7Å; Y749-L819 HydrophobicContact CD2-CG 4.24Å; Y749-L819 HydrophobicContact CE2-CD1 4.45Å; Y749-L819 HydrophobicContact CG-CD1 4.15Å; S815-L819 WeakPolarHBondContact O-CG 3.32Å; S815-L819 PolarHBondContact O-N 3.22Å; L819-D823 PolarHBondContact O-N 3.32Å |
| 820 | H | 44.8 | Very low | 45.9 | Very low | 22 Ų | 22 | 55.1 Ų | 55.1 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.8 | -30.8 | 177.7 | -74.5 | -84.7 | 0 | 0 | 0 | 112.6 | K422 D816 Y818 L822 A824 | K422-H820 WeakPolarHBondContact CE-NE2 3.48Å; K422-H820 PolarHBondContact NZ-CD2 2.82Å; K422-H820 PolarHBondContact NZ-NE2 2.76Å; D816-H820 PolarHBondContact O-CD2 3.44Å; Y818-H820 PolarHBondContact O-N 2.91Å; H820-L822 VanDerWaalsContact C-N 3.34Å; H820-A824 WeakPolarHBondContact O-CB 3.45Å; H820-A824 PolarHBondContact O-N 3.41Å |
| 821 | W | 43.3 | Very low | 44.7 | Very low | 113 Ų | 113 | 55.4 Ų | 55.4 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 172.6 | -171.7 | 80.2 | 0 | 0 | 0 | 109.7 | Y818 A824 W825 | Y818-W821 HydrophobicContact CE2-CE3 4.29Å; Y818-W821 HydrophobicContact CE2-CZ3 4.47Å; Y818-W821 WeakPolarHBondContact O-CB 3.32Å; Y818-W821 PolarHBondContact O-N 3.48Å; W821-A824 PolarHBondContact O-N 2.99Å; W821-W825 AromaticContact CE2-CD1 3.69Å; W821-W825 AromaticContact CE2-NE1 3.79Å; W821-W825 HydrophobicContact CH2-CD2 4.05Å; W821-W825 AromaticContact CH2-CE2 3.73Å; W821-W825 HydrophobicContact CH2-CG 4.29Å; W821-W825 HydrophobicContact CH2-CZ2 4.11Å; W821-W825 AromaticContact CH2-NE1 3.77Å; W821-W825 AromaticContact CZ2-CD1 3.64Å; W821-W825 HydrophobicContact CZ2-CD2 4.31Å; W821-W825 AromaticContact CZ2-CE2 3.73Å; W821-W825 HydrophobicContact CZ2-CG 4.27Å; W821-W825 HydrophobicContact CZ2-CZ2 4.28Å; W821-W825 AromaticContact CZ2-NE1 3.29Å; W821-W825 VanDerWaalsContact CZ2-NE1 3.29Å; W821-W825 HydrophobicContact CZ3-CD2 4.44Å; W821-W825 HydrophobicContact CZ3-CG 4.47Å; W821-W825 VanDerWaalsContact O-CB 3.3Å; W821-W825 WeakPolarHBondContact O-CB 3.42Å; W821-W825 PolarHBondContact O-N 3.13Å |
| 822 | L | 43 | Very low | 43.7 | Very low | 29 Ų | 29 | 57.9 Ų | 57.9 | 15% | 0.152 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 175.2 | -70.2 | 170.2 | 0 | 0 | 0 | 113.5 | A803 Y818 H820 A824 W825 A826 | A803-L822 HydrophobicContact CB-CD1 3.69Å; A803-L822 HydrophobicContact CB-CD2 3.81Å; A803-L822 HydrophobicContact CB-CG 4.27Å; Y818-L822 HydrophobicContact CD1-CD1 3.4Å; Y818-L822 HydrophobicContact CD1-CG 4.04Å; Y818-L822 HydrophobicContact CE1-CD1 3.27Å; Y818-L822 HydrophobicContact CE1-CD2 4.08Å; Y818-L822 HydrophobicContact CE1-CG 3.83Å; Y818-L822 HydrophobicContact CG-CD1 4.28Å; Y818-L822 WeakPolarHBondContact O-CG 3.48Å; Y818-L822 PolarHBondContact O-N 3.39Å; H820-L822 VanDerWaalsContact C-N 3.34Å; L822-A824 VanDerWaalsContact C-N 3.3Å; L822-A824 PolarHBondContact O-N 3.35Å; L822-W825 PolarHBondContact O-N 2.96Å; L822-A826 WeakPolarHBondContact O-CB 3.31Å; L822-A826 PolarHBondContact O-N 3.17Å |
| 823 | D | 44.4 | Very low | 43 | Very low | 40 Ų | 40 | 60.2 Ų | 60.2 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -31.1 | 178 | 178 | 70.6 | 0 | 0 | 0 | 112.5 | I748 L819 R827 | I748-D823 HydrophobicContact CG2-CB 4.48Å; L819-D823 PolarHBondContact O-N 3.32Å; D823-R827 WeakPolarHBondContact O-CG 3.22Å; D823-R827 PolarHBondContact O-NE 3.33Å; D823-R827 VanDerWaalsContact O-NE 3.09Å; D823-R827 IonicContact OD2-CZ 2.84Å; D823-R827 IonicContact OD2-NE 3.64Å; D823-R827 PolarHBondContact OD2-NE 3.13Å; D823-R827 IonicContact OD2-NH2 3.59Å; D823-R827 PolarHBondContact OD2-NH2 2.95Å |
| 824 | A | 40.4 | Very low | 42.8 | Very low | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.8 | -44.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L427 H820 W821 L822 A826 R827 L828 | L427-A824 HydrophobicContact CB-CB 4.21Å; L427-A824 HydrophobicContact CD1-CB 4.23Å; H820-A824 WeakPolarHBondContact O-CB 3.45Å; H820-A824 PolarHBondContact O-N 3.41Å; W821-A824 PolarHBondContact O-N 2.99Å; L822-A824 VanDerWaalsContact C-N 3.3Å; L822-A824 PolarHBondContact O-N 3.35Å; A824-A826 PolarHBondContact O-N 3.37Å; A824-R827 CarbonylContact O-C 3.34Å; A824-R827 PolarHBondContact O-N 3.09Å; A824-L828 WeakPolarHBondContact O-CG 3.41Å; A824-L828 PolarHBondContact O-N 2.73Å; A824-L828 VanDerWaalsContact O-N 3.14Å |
| 825 | W | 43.8 | Very low | 43.1 | Very low | 116 Ų | 116 | 59.1 Ų | 59.1 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 178 | -121.4 | 62.1 | 0 | 0 | 0 | 112 | L799 W821 L822 R827 L828 | L799-W825 HydrophobicContact CD2-CE3 3.98Å; L799-W825 HydrophobicContact CD2-CZ3 4.12Å; W821-W825 AromaticContact CE2-CD1 3.69Å; W821-W825 AromaticContact CE2-NE1 3.79Å; W821-W825 HydrophobicContact CH2-CD2 4.05Å; W821-W825 AromaticContact CH2-CE2 3.73Å; W821-W825 HydrophobicContact CH2-CG 4.29Å; W821-W825 HydrophobicContact CH2-CZ2 4.11Å; W821-W825 AromaticContact CH2-NE1 3.77Å; W821-W825 AromaticContact CZ2-CD1 3.64Å; W821-W825 HydrophobicContact CZ2-CD2 4.31Å; W821-W825 AromaticContact CZ2-CE2 3.73Å; W821-W825 HydrophobicContact CZ2-CG 4.27Å; W821-W825 HydrophobicContact CZ2-CZ2 4.28Å; W821-W825 AromaticContact CZ2-NE1 3.29Å; W821-W825 VanDerWaalsContact CZ2-NE1 3.29Å; W821-W825 HydrophobicContact CZ3-CD2 4.44Å; W821-W825 HydrophobicContact CZ3-CG 4.47Å; W821-W825 VanDerWaalsContact O-CB 3.3Å; W821-W825 WeakPolarHBondContact O-CB 3.42Å; W821-W825 PolarHBondContact O-N 3.13Å; L822-W825 PolarHBondContact O-N 2.96Å; W825-R827 PolarHBondContact O-N 2.89Å; W825-L828 HydrophobicContact CG-CD1 4.39Å; W825-L828 PolarHBondContact O-N 3.24Å |
| 826 | A | 42.6 | Very low | 43.6 | Very low | 78 Ų | 78 | 61.9 Ų | 61.9 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -12.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L822 A824 | L822-A826 WeakPolarHBondContact O-CB 3.31Å; L822-A826 PolarHBondContact O-N 3.17Å; A824-A826 PolarHBondContact O-N 3.37Å |
| 827 | R | 41.9 | Very low | 44.6 | Very low | 70 Ų | 70 | 65 Ų | 65 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -5.5 | 176.3 | -70.1 | -172.5 | -77.3 | 150.9 | -5.5 | 113.4 | V428 D430 D823 A824 W825 | V428-R827 HydrophobicContact CG1-CB 4.31Å; D430-R827 IonicContact OD2-NH1 2.59Å; D823-R827 WeakPolarHBondContact O-CG 3.22Å; D823-R827 PolarHBondContact O-NE 3.33Å; D823-R827 VanDerWaalsContact O-NE 3.09Å; D823-R827 IonicContact OD2-CZ 2.84Å; D823-R827 IonicContact OD2-NE 3.64Å; D823-R827 PolarHBondContact OD2-NE 3.13Å; D823-R827 IonicContact OD2-NH2 3.59Å; D823-R827 PolarHBondContact OD2-NH2 2.95Å; A824-R827 CarbonylContact O-C 3.34Å; A824-R827 PolarHBondContact O-N 3.09Å; W825-R827 PolarHBondContact O-N 2.89Å |
| 828 | L | 41.9 | Very low | 46.2 | Very low | 43 Ų | 43 | 62.6 Ų | 62.6 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -73.5 | 128.8 | 177.5 | -73.6 | 173 | 0 | 0 | 0 | 109.2 | L427 V428 A824 W825 | L427-L828 HydrophobicContact CD1-CD1 4.42Å; V428-L828 HydrophobicContact CG1-CD2 4.43Å; A824-L828 WeakPolarHBondContact O-CG 3.41Å; A824-L828 PolarHBondContact O-N 2.73Å; A824-L828 VanDerWaalsContact O-N 3.14Å; W825-L828 HydrophobicContact CG-CD1 4.39Å; W825-L828 PolarHBondContact O-N 3.24Å |
| 829 | P | 40.9 | Very low | 48 | Very low | 66 Ų | 66 | 59.6 Ų | 59.6 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | trans | -63.6 | 145.9 | 173.9 | 23.1 | -29.2 | 0 | 0 | 0 | 110.8 | S831 | P829-S831 PolarHBondContact O-N 2.92Å; P829-S831 VanDerWaalsContact O-N 3.14Å | ||
| 830 | T | 39.5 | Very low | 49.6 | Very low | 85 Ų | 85 | 62 Ų | 62 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -63.4 | -19.4 | -176.5 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | C864 L865 | T830-C864 HydrophobicContact CG2-CB 4.48Å; T830-C864 WeakPolarHBondContact CG2-SG 3.38Å; T830-C864 WeakPolarHBondContact OG1-CA 3.44Å; T830-L865 PolarHBondContact OG1-N 2.71Å; T830-L865 VanDerWaalsContact OG1-N 3.07Å; T830-L865 PolarHBondContact OG1-O 3.2Å |
| 831 | S | 37.9 | Very low | 51.3 | Low | 8 Ų | 8 | 67.2 Ų | 67.2 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -129.7 | 132.6 | 173.8 | 72 | 0 | 0 | 0 | 0 | 110.5 | P829 L865 | P829-S831 PolarHBondContact O-N 2.92Å; P829-S831 VanDerWaalsContact O-N 3.14Å; S831-L865 WeakPolarHBondContact OG-CB 3.39Å; S831-L865 VanDerWaalsContact OG-CD1 3.3Å; S831-L865 WeakPolarHBondContact OG-CD1 3.35Å |
| 832 | R | 39.9 | Very low | 52.9 | Low | 117 Ų | 117 | 66.5 Ų | 66.5 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 138.6 | 172.7 | -65.6 | -172.6 | -178.5 | -162.3 | -1.4 | 110.7 | E492 | E492-R832 IonicContact OE1-CZ 3.8Å; E492-R832 IonicContact OE1-NE 3.36Å; E492-R832 IonicContact OE1-NH1 2.94Å; E492-R832 PolarHBondContact OE1-NH1 3.03Å; E492-R832 IonicContact OE2-CZ 3.17Å; E492-R832 IonicContact OE2-NH1 3.43Å; E492-R832 PolarHBondContact OE2-NH1 2.87Å |
| 833 | F | 43 | Very low | 54.7 | Low | 128 Ų | 128 | 65.5 Ų | 65.5 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 159.3 | 167.7 | -68 | -78.9 | 0 | 0 | 0 | 109.7 | L835 | F833-L835 PolarHBondContact O-N 3.12Š|
| 834 | S | 43.4 | Very low | 56.5 | Low | 72 Ų | 72 | 64.2 Ų | 64.2 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 139.6 | 176.2 | 85.1 | 0 | 0 | 0 | 0 | 110.1 | T836 D837 | S834-T836 PolarHBondContact O-N 3.36Å; S834-T836 PolarHBondContact OG-OG1 3.07Å; S834-D837 PolarHBondContact O-N 3.18Å |
| 835 | L | 50.1 | Low | 58.4 | Low | 76 Ų | 76 | 71.1 Ų | 71.1 | 40% | 0.398 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -58.2 | -16 | -171.9 | -70.7 | 158.1 | 0 | 0 | 0 | 113.8 | F490 E492 F833 D837 | F490-L835 HydrophobicContact CB-CD1 4.49Å; F490-L835 HydrophobicContact CB-CD2 4.25Å; F490-L835 HydrophobicContact CD1-CD1 4.44Å; F490-L835 HydrophobicContact CD2-CD1 3.53Å; F490-L835 HydrophobicContact CD2-CD2 4.38Å; F490-L835 HydrophobicContact CE2-CD1 3.72Å; F490-L835 HydrophobicContact CG-CD1 3.91Å; F490-L835 HydrophobicContact CZ-CD1 4.26Å; E492-L835 HydrophobicContact CB-CD2 4.42Å; E492-L835 HydrophobicContact CG-CD2 4.29Å; F833-L835 PolarHBondContact O-N 3.12Å; L835-D837 VanDerWaalsContact C-N 3.32Å |
| 836 | T | 56 | Low | 59.9 | Low | 69 Ų | 69 | 68.3 Ų | 68.3 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -76.2 | -15.1 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | F541 S834 | F541-T836 HydrophobicContact CD1-CG2 4.37Å; F541-T836 HydrophobicContact CE1-CG2 3.81Å; S834-T836 PolarHBondContact O-N 3.36Å; S834-T836 PolarHBondContact OG-OG1 3.07Å |
| 837 | D | 65.4 | Low | 61.6 | Low | 74 Ų | 74 | 64.9 Ų | 64.9 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -108.8 | 38.1 | -177.7 | -76.9 | -31.8 | 0 | 0 | 0 | 113 | S834 L835 C839 | S834-D837 PolarHBondContact O-N 3.18Å; L835-D837 VanDerWaalsContact C-N 3.32Å; D837-C839 PolarHBondContact O-N 3.02Å; D837-C839 VanDerWaalsContact O-N 3.1Å |
| 838 | W | 77.6 | Confident | 63.3 | Low | 26 Ų | 26 | 62.5 Ų | 62.5 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -58.5 | -22.4 | 174 | 67.4 | -93.8 | 0 | 0 | 0 | 112.9 | G495 F498 A499 L502 L538 F541 L542 I567 | G495-W838 VanDerWaalsContact CA-CE3 3.47Å; G495-W838 WeakPolarHBondContact O-CZ3 3.4Å; F498-W838 HydrophobicContact CB-CH2 4.12Å; F498-W838 HydrophobicContact CB-CZ3 3.86Å; A499-W838 HydrophobicContact CB-CE3 3.89Å; A499-W838 HydrophobicContact CB-CZ3 3.93Å; A499-W838 WeakPolarHBondContact CB-O 3.16Å; L502-W838 HydrophobicContact CD1-CH2 4.47Å; L538-W838 HydrophobicContact CB-CZ2 3.95Å; L538-W838 HydrophobicContact CD2-CD2 4.18Å; L538-W838 HydrophobicContact CD2-CG 4.23Å; L538-W838 HydrophobicContact CD2-CZ2 4.35Å; F541-W838 AromaticContact CD2-NE1 3.76Å; L542-W838 HydrophobicContact CD1-CH2 4.07Å; L542-W838 HydrophobicContact CD1-CZ2 4Å; L542-W838 HydrophobicContact CD2-CH2 3.87Å; L542-W838 HydrophobicContact CD2-CZ2 3.73Å; L542-W838 HydrophobicContact CG-CH2 4.25Å; L542-W838 HydrophobicContact CG-CZ2 3.84Å; I567-W838 HydrophobicContact CD1-CH2 4.09Å |
| 839 | C | 81.1 | Confident | 64.8 | Low | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -120 | 123 | 173.6 | -172 | 0 | 0 | 0 | 0 | 110 | A499 D837 R841 L844 | A499-C839 HydrophobicContact CB-CB 4.49Å; D837-C839 PolarHBondContact O-N 3.02Å; D837-C839 VanDerWaalsContact O-N 3.1Å; C839-R841 PolarHBondContact O-N 2.96Å; C839-L844 VanDerWaalsContact SG-CD2 3.58Å |
| 840 | S | 81.1 | Confident | 65.7 | Low | 61 Ų | 61 | 66 Ų | 66 | 43% | 0.427 | 34% | 0.336 | S | S | . | . | trans | -58.9 | 138.7 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | D842 L843 L844 | S840-D842 PolarHBondContact O-N 3.2Å; S840-D842 PolarHBondContact OG-N 2.94Å; S840-L843 WeakPolarHBondContact O-CB 3.47Å; S840-L843 PolarHBondContact O-N 3.33Å; S840-L843 VanDerWaalsContact O-N 3.16Å; S840-L844 PolarHBondContact O-N 3.42Å | ||
| 841 | R | 80 | Confident | 66.5 | Low | 132 Ų | 132 | 64.4 Ų | 64.4 | 50% | 0.498 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -35.1 | 174.1 | -65.5 | -68.5 | 175 | -173.1 | -3 | 112 | C839 L843 L844 Q845 | C839-R841 PolarHBondContact O-N 2.96Å; R841-L843 VanDerWaalsContact C-N 3.29Å; R841-L843 PolarHBondContact O-N 3.18Å; R841-L844 PolarHBondContact O-N 2.76Å; R841-L844 VanDerWaalsContact O-N 3.15Å; R841-Q845 WeakPolarHBondContact O-CG 3.34Å; R841-Q845 PolarHBondContact O-N 2.69Å |
| 842 | D | 77.8 | Confident | 67.2 | Low | 98 Ų | 98 | 65.8 Ų | 65.8 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.1 | -54.2 | -29.8 | 0 | 0 | 0 | 110.8 | S840 L844 Q845 C846 | S840-D842 PolarHBondContact O-N 3.2Å; S840-D842 PolarHBondContact OG-N 2.94Å; D842-L844 PolarHBondContact O-N 3.26Å; D842-Q845 PolarHBondContact O-N 3Å; D842-C846 PolarHBondContact O-N 3.07Å; D842-C846 PolarHBondContact O-SG 3.07Å |
| 843 | L | 80.5 | Confident | 67.7 | Low | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.3 | 175.3 | 59.3 | 0 | 0 | 0 | 111.4 | L502 K503 S840 R841 Q845 C846 L847 M851 | L502-L843 HydrophobicContact CB-CD2 4.12Å; K503-L843 HydrophobicContact CB-CD1 4.15Å; K503-L843 HydrophobicContact CB-CD2 3.94Å; K503-L843 HydrophobicContact CG-CD1 4.49Å; S840-L843 WeakPolarHBondContact O-CB 3.47Å; S840-L843 PolarHBondContact O-N 3.33Å; S840-L843 VanDerWaalsContact O-N 3.16Å; R841-L843 VanDerWaalsContact C-N 3.29Å; R841-L843 PolarHBondContact O-N 3.18Å; L843-Q845 VanDerWaalsContact C-N 3.28Å; L843-Q845 PolarHBondContact O-N 3.38Å; L843-C846 PolarHBondContact O-N 3.22Å; L843-L847 PolarHBondContact O-N 3.5Å; L843-M851 WeakPolarHBondContact CA-SD 3.41Å; L843-M851 HydrophobicContact CB-SD 3.73Å; L843-M851 HydrophobicContact CD1-CB 4.23Å; L843-M851 HydrophobicContact CD1-CG 3.6Å; L843-M851 HydrophobicContact CD1-SD 3.78Å; L843-M851 HydrophobicContact CG-SD 4.35Å |
| 844 | L | 82.1 | Confident | 67.5 | Low | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -32.3 | 178.9 | -64.6 | 176.5 | 0 | 0 | 0 | 112.4 | L542 C839 S840 R841 D842 L847 | L542-L844 HydrophobicContact CD2-CD1 4.43Å; L542-L844 HydrophobicContact CD2-CD2 3.6Å; C839-L844 VanDerWaalsContact SG-CD2 3.58Å; S840-L844 PolarHBondContact O-N 3.42Å; R841-L844 PolarHBondContact O-N 2.76Å; R841-L844 VanDerWaalsContact O-N 3.15Å; D842-L844 PolarHBondContact O-N 3.26Å; L844-L847 HydrophobicContact CD2-CD1 4Å; L844-L847 PolarHBondContact O-N 2.76Å |
| 845 | Q | 79.6 | Confident | 67.3 | Low | 148 Ų | 148 | 65.2 Ų | 65.2 | 69% | 0.692 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -72.2 | -27.1 | 175.5 | -71.1 | 174.7 | 4 | 0 | 0 | 113 | R841 D842 L843 L847 | R841-Q845 WeakPolarHBondContact O-CG 3.34Å; R841-Q845 PolarHBondContact O-N 2.69Å; D842-Q845 PolarHBondContact O-N 3Å; L843-Q845 VanDerWaalsContact C-N 3.28Å; L843-Q845 PolarHBondContact O-N 3.38Å; Q845-L847 VanDerWaalsContact C-N 3.33Å |
| 846 | C | 74.8 | Confident | 66.4 | Low | 57 Ų | 57 | 65.2 Ų | 65.2 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -78.3 | -15.3 | 176.5 | -64.6 | 0 | 0 | 0 | 0 | 113.9 | D842 L843 R849 M851 | D842-C846 PolarHBondContact O-N 3.07Å; D842-C846 PolarHBondContact O-SG 3.07Å; L843-C846 PolarHBondContact O-N 3.22Å; C846-R849 CarbonylContact C-O 3.57Å; C846-R849 PolarHBondContact O-N 3.32Å; C846-M851 HydrophobicContact CB-CG 3.98Å |
| 847 | L | 79.4 | Confident | 65.5 | Low | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 143.5 | 179.1 | -64.8 | -176.5 | 0 | 0 | 0 | 111.1 | L502 I546 P566 L843 L844 Q845 | L502-L847 HydrophobicContact CD2-CD1 4.36Å; L502-L847 HydrophobicContact CD2-CD2 4.3Å; I546-L847 HydrophobicContact CG2-CB 4.33Å; P566-L847 HydrophobicContact CB-CD1 4.01Å; P566-L847 HydrophobicContact CG-CD1 4.15Å; L843-L847 PolarHBondContact O-N 3.5Å; L844-L847 HydrophobicContact CD2-CD1 4Å; L844-L847 PolarHBondContact O-N 2.76Å; Q845-L847 VanDerWaalsContact C-N 3.33Å |
| 848 | P | 77.7 | Confident | 64.1 | Low | 19 Ų | 19 | 64.1 Ų | 64.1 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -78.9 | -6.9 | 11 | 28.4 | -33.2 | 0 | 0 | 0 | 115.6 | G506 S507 I546 C630 | G506-P848 WeakPolarHBondContact CA-O 3.34Å; S507-P848 PolarHBondContact N-O 2.96Å; I546-P848 HydrophobicContact CG2-CB 3.92Å; I546-P848 HydrophobicContact CG2-CG 4.24Å; C630-P848 HydrophobicContact CB-CB 4.27Å; C630-P848 VanDerWaalsContact O-O 3.06Å |
| 849 | R | 73.3 | Confident | 62.1 | Low | 163 Ų | 163 | 67.2 Ų | 67.2 | 62% | 0.615 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -80.6 | 138.9 | -178.7 | -63.4 | -177.7 | -177.2 | 169 | 4.5 | 110.7 | C846 | C846-R849 CarbonylContact C-O 3.57Å; C846-R849 PolarHBondContact O-N 3.32Å |
| 850 | G | 59.8 | Low | 59.9 | Low | 20 Ų | 20 | 75 Ų | 75 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | trans | -69.7 | 160.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K503 | K503-G850 CarbonylContact O-C 3.58Å; K503-G850 VanDerWaalsContact O-CA 3.31Å; K503-G850 WeakPolarHBondContact O-CA 3.38Å | ||
| 851 | M | 56 | Low | 57.7 | Low | 51 Ų | 51 | 76 Ų | 76 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | trans | -93.3 | 3.3 | 177.7 | -65.1 | 178.9 | 82.4 | 0 | 0 | 114.1 | K503 L843 C846 I853 T854 | K503-M851 HydrophobicContact CG-CB 4.19Å; K503-M851 PolarHBondContact O-N 2.88Å; L843-M851 WeakPolarHBondContact CA-SD 3.41Å; L843-M851 HydrophobicContact CB-SD 3.73Å; L843-M851 HydrophobicContact CD1-CB 4.23Å; L843-M851 HydrophobicContact CD1-CG 3.6Å; L843-M851 HydrophobicContact CD1-SD 3.78Å; L843-M851 HydrophobicContact CG-SD 4.35Å; C846-M851 HydrophobicContact CB-CG 3.98Å; M851-I853 PolarHBondContact O-N 2.81Å; M851-T854 PolarHBondContact O-N 3.26Å | ||
| 852 | D | 53.6 | Low | 55.3 | Low | 37 Ų | 37 | 76.1 Ų | 76.1 | 20% | 0.198 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 0.1 | -173.4 | -114.1 | 24.6 | 0 | 0 | 0 | 115.2 | K503 R504 T854 | K503-D852 PolarHBondContact O-N 2.94Å; K503-D852 VanDerWaalsContact O-N 3.12Å; R504-D852 VanDerWaalsContact CG-OD2 3.23Å; R504-D852 WeakPolarHBondContact CG-OD2 3.44Å; D852-T854 PolarHBondContact O-N 3.37Å |
| 853 | I | 49.6 | Very low | 52.9 | Low | 118 Ų | 118 | 78.1 Ų | 78.1 | 61% | 0.605 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.5 | 163.4 | -56.5 | 174.3 | 0 | 0 | 0 | 111.9 | M851 | M851-I853 PolarHBondContact O-N 2.81Š|
| 854 | T | 37.7 | Very low | 50.3 | Low | 72 Ų | 72 | 80.8 Ų | 80.8 | 44% | 0.442 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -152.3 | 129.1 | -171.7 | 39.1 | 0 | 0 | 0 | 0 | 115.8 | M851 D852 | M851-T854 PolarHBondContact O-N 3.26Å; D852-T854 PolarHBondContact O-N 3.37Å |
| 855 | Q | 40.5 | Very low | 47.8 | Very low | 115 Ų | 115 | 83.9 Ų | 83.9 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | trans | 71.4 | 66.9 | 146.6 | -58.9 | 171.9 | 7.7 | 0 | 0 | 119.1 | K503 D858 | K503-Q855 PolarHBondContact NZ-O 3.11Å; Q855-D858 HydrophobicContact CB-CB 4.33Å; Q855-D858 HydrophobicContact CG-CB 4.4Å | ||
| 856 | K | 31.2 | Very low | 45.5 | Very low | 76 Ų | 76 | 81.7 Ų | 81.7 | 33% | 0.33 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -85 | -30.1 | 156.6 | -111.7 | -174.5 | -178.5 | -176.3 | 0 | 113 | S500 Y860 | S500-K856 PolarHBondContact OG-NZ 2.96Å; K856-Y860 WeakPolarHBondContact O-CD2 3.24Å |
| 857 | S | 37.1 | Very low | 43.3 | Very low | 66 Ų | 66 | 81.2 Ų | 81.2 | 46% | 0.462 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.2 | -38.6 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | L859 | S857-L859 PolarHBondContact O-N 3.47Å |
| 858 | D | 35.6 | Very low | 41 | Very low | 54 Ų | 54 | 84.4 Ų | 84.4 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -79.7 | -22.9 | -167.8 | -58.8 | -5.2 | 0 | 0 | 0 | 112.2 | R370 Q855 | R370-D858 IonicContact NH1-OD1 3.78Å; R370-D858 PolarHBondContact NH1-OD1 3.15Å; R370-D858 IonicContact NH1-OD2 2.69Å; R370-D858 PolarHBondContact NH1-OD2 2.86Å; Q855-D858 HydrophobicContact CB-CB 4.33Å; Q855-D858 HydrophobicContact CG-CB 4.4Å |
| 859 | L | 35 | Very low | 38.9 | Very low | 91 Ų | 91 | 87.6 Ų | 87.6 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.6 | -29.1 | 179.5 | -80.8 | 167 | 0 | 0 | 0 | 113.7 | S857 | S857-L859 PolarHBondContact O-N 3.47Å |
| 860 | Y | 35 | Very low | 37.1 | Very low | 169 Ų | 169 | 86.4 Ų | 86.4 | 66% | 0.663 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -96.5 | -14.2 | -178.1 | -68.3 | -76.1 | 0 | 0 | 0 | 113.6 | K856 | K856-Y860 WeakPolarHBondContact O-CD2 3.24Å |
| 861 | S | 35.6 | Very low | 36.1 | Very low | 82 Ų | 82 | 87 Ų | 87 | 57% | 0.573 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -80.3 | -23.1 | 179 | 76 | 0 | 0 | 0 | 0 | 114 | ||
| 862 | N | 30.2 | Very low | 34.9 | Very low | 135 Ų | 135 | 92.5 Ų | 92.5 | 72% | 0.722 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -121.9 | 13.1 | -163.3 | -73 | 5.8 | 0 | 0 | 0 | 116.2 | ||
| 863 | R | 26.9 | Very low | 33.9 | Very low | 140 Ų | 140 | 98 Ų | 98 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | trans | -126.3 | 70.3 | 176.5 | -75.8 | -172.2 | 177.5 | 172.7 | -1.2 | 112.5 | L865 | R863-L865 PolarHBondContact O-N 3.28Š| ||
| 864 | C | 26.5 | Very low | 33 | Very low | 65 Ų | 65 | 95.5 Ų | 95.5 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | trans | -84.3 | 93 | 145.4 | -170.2 | 0 | 0 | 0 | 0 | 106.4 | H792 T830 V866 | H792-C864 PolarHBondContact CE1-SG 2.83Å; H792-C864 PolarHBondContact ND1-SG 2.95Å; H792-C864 VanDerWaalsContact ND1-SG 3.42Å; T830-C864 HydrophobicContact CG2-CB 4.48Å; T830-C864 WeakPolarHBondContact CG2-SG 3.38Å; T830-C864 WeakPolarHBondContact OG1-CA 3.44Å; C864-V866 PolarHBondContact O-N 2.9Å | ||
| 865 | L | 28.2 | Very low | 32.6 | Very low | 76 Ų | 76 | 98 Ų | 98 | 40% | 0.398 | 51% | 0.513 | S | S | . | . | trans | -79.7 | 111.6 | 168.3 | -88 | 161.9 | 0 | 0 | 0 | 106.5 | T830 S831 R863 L867 | T830-L865 PolarHBondContact OG1-N 2.71Å; T830-L865 VanDerWaalsContact OG1-N 3.07Å; T830-L865 PolarHBondContact OG1-O 3.2Å; S831-L865 WeakPolarHBondContact OG-CB 3.39Å; S831-L865 VanDerWaalsContact OG-CD1 3.3Å; S831-L865 WeakPolarHBondContact OG-CD1 3.35Å; R863-L865 PolarHBondContact O-N 3.28Å; L865-L867 PolarHBondContact O-N 2.92Å | ||
| 866 | V | 30.9 | Very low | 32.3 | Very low | 103 Ų | 103 | 102 Ų | 102 | 62% | 0.624 | 52% | 0.524 | S | S | * | . | trans | -76.4 | 97.3 | 171 | -173.1 | 0 | 0 | 0 | 0 | 106.8 | H792 C864 | H792-V866 WeakPolarHBondContact NE2-CG2 3.13Å; C864-V866 PolarHBondContact O-N 2.9Å | ||
| 867 | L | 29.5 | Very low | 32.2 | Very low | 46 Ų | 46 | 106.2 Ų | 106.2 | 24% | 0.241 | 54% | 0.542 | C | S | . | . | trans | -82.2 | 129.2 | 170.9 | -63.9 | -176.8 | 0 | 0 | 0 | 108.4 | L865 D871 | L865-L867 PolarHBondContact O-N 2.92Å; L867-D871 HydrophobicContact CB-CB 4.34Å | ||
| 868 | P | 31.2 | Very low | 32 | Very low | 74 Ų | 74 | 109.4 Ų | 109.4 | 48% | 0.481 | 55% | 0.554 | S | S | . | * | trans | -65.4 | 148.2 | 176.4 | 29.9 | -34.3 | 0 | 0 | 0 | 109.8 | N870 D871 | P868-N870 WeakPolarHBondContact CB-OD1 3.42Å; P868-N870 PolarHBondContact O-N 3.07Å; P868-D871 WeakPolarHBondContact O-CB 3.37Å; P868-D871 PolarHBondContact O-N 2.87Å | ||
| 869 | S | 34.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 114.4 Ų | 114.4 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -15.1 | -168.9 | 47.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 870 | N | 34.9 | Very low | 31.3 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 74% | 0.738 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 7.7 | 179.7 | 48.3 | -9.3 | 0 | 0 | 0 | 114 | P868 I872 | P868-N870 WeakPolarHBondContact CB-OD1 3.42Å; P868-N870 PolarHBondContact O-N 3.07Å; N870-I872 PolarHBondContact O-N 2.89Å |
| 871 | D | 39.1 | Very low | 30.9 | Very low | 32 Ų | 32 | 119 Ų | 119 | 17% | 0.171 | 59% | 0.592 | C | S | . | * | trans | -71.6 | 124.4 | 176.1 | -165.7 | -51.8 | 0 | 0 | 0 | 111.1 | L867 P868 R873 V874 | L867-D871 HydrophobicContact CB-CB 4.34Å; P868-D871 WeakPolarHBondContact O-CB 3.37Å; P868-D871 PolarHBondContact O-N 2.87Å; D871-R873 PolarHBondContact O-N 3.44Å; D871-R873 VanDerWaalsContact OD1-CB 3.3Å; D871-R873 WeakPolarHBondContact OD1-CB 3.33Å; D871-R873 WeakPolarHBondContact OD1-CG 3.47Å; D871-R873 IonicContact OD1-CZ 3.27Å; D871-R873 PolarHBondContact OD1-N 3.21Å; D871-R873 IonicContact OD1-NE 2.96Å; D871-R873 PolarHBondContact OD1-NE 3.15Å; D871-R873 IonicContact OD1-NH2 3.1Å; D871-R873 IonicContact OD2-CZ 3.84Å; D871-R873 IonicContact OD2-NE 2.68Å; D871-R873 PolarHBondContact OD2-NE 2.97Å; D871-R873 IonicContact OD2-NH2 3.63Å; D871-R873 PolarHBondContact OD2-NH2 3.38Å; D871-V874 HydrophobicContact CB-CG2 4.46Å; D871-V874 WeakPolarHBondContact O-CB 3.17Å; D871-V874 WeakPolarHBondContact O-CG2 3.48Å; D871-V874 PolarHBondContact O-N 2.64Å | ||
| 872 | I | 30.3 | Very low | 30.5 | Very low | 167 Ų | 167 | 123.1 Ų | 123.1 | 86% | 0.856 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -13.3 | -177.3 | -160.5 | 161.7 | 0 | 0 | 0 | 114 | N870 V874 | N870-I872 PolarHBondContact O-N 2.89Å; I872-V874 VanDerWaalsContact C-N 3.26Å |
| 873 | R | 33 | Very low | 30.5 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -12 | 172.8 | -65.2 | 175.5 | -71.5 | -178.2 | -7 | 113.3 | D871 D875 | D871-R873 PolarHBondContact O-N 3.44Å; D871-R873 VanDerWaalsContact OD1-CB 3.3Å; D871-R873 WeakPolarHBondContact OD1-CB 3.33Å; D871-R873 WeakPolarHBondContact OD1-CG 3.47Å; D871-R873 IonicContact OD1-CZ 3.27Å; D871-R873 PolarHBondContact OD1-N 3.21Å; D871-R873 IonicContact OD1-NE 2.96Å; D871-R873 PolarHBondContact OD1-NE 3.15Å; D871-R873 IonicContact OD1-NH2 3.1Å; D871-R873 IonicContact OD2-CZ 3.84Å; D871-R873 IonicContact OD2-NE 2.68Å; D871-R873 PolarHBondContact OD2-NE 2.97Å; D871-R873 IonicContact OD2-NH2 3.63Å; D871-R873 PolarHBondContact OD2-NH2 3.38Å; R873-D875 PolarHBondContact O-N 3.12Å |
| 874 | V | 30.3 | Very low | 30.8 | Very low | 66 Ų | 66 | 122 Ų | 122 | 40% | 0.4 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -76.1 | 105 | 167.6 | -172.1 | 0 | 0 | 0 | 0 | 105.8 | D871 I872 | D871-V874 HydrophobicContact CB-CG2 4.46Å; D871-V874 WeakPolarHBondContact O-CB 3.17Å; D871-V874 WeakPolarHBondContact O-CG2 3.48Å; D871-V874 PolarHBondContact O-N 2.64Å; I872-V874 VanDerWaalsContact C-N 3.26Å |
| 875 | D | 29.6 | Very low | 31 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 67% | 0.668 | 61% | 0.61 | S | S | * | * | trans | -82.7 | 113.5 | 177.4 | -170.6 | -8.9 | 0 | 0 | 0 | 109.2 | R873 F877 | R873-D875 PolarHBondContact O-N 3.12Å; D875-F877 WeakPolarHBondContact OD1-CD2 3.13Å; D875-F877 PolarHBondContact OD1-N 3.1Å | ||
| 876 | W | 34.5 | Very low | 31.2 | Very low | 200 Ų | 200 | 123.5 Ų | 123.5 | 76% | 0.758 | 61% | 0.613 | S | S | * | * | trans | -91.5 | 4.4 | -174.5 | -72.8 | 39.7 | 0 | 0 | 0 | 112.9 | N878 | W876-N878 PolarHBondContact O-N 2.87Å; W876-N878 VanDerWaalsContact O-N 3.1Å | ||
| 877 | F | 29 | Very low | 31.4 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 72% | 0.715 | 61% | 0.612 | S | S | * | * | trans | -70.1 | 109.2 | -178.2 | -78.6 | -70.5 | 0 | 0 | 0 | 112.3 | D875 | D875-F877 WeakPolarHBondContact OD1-CD2 3.13Å; D875-F877 PolarHBondContact OD1-N 3.1Å | ||
| 878 | N | 31.8 | Very low | 31.9 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | -161.1 | 119.4 | 107.5 | -126.2 | -7.4 | 0 | 0 | 0 | 112.5 | W876 F880 | W876-N878 PolarHBondContact O-N 2.87Å; W876-N878 VanDerWaalsContact O-N 3.1Å; N878-F880 PolarHBondContact O-N 3.48Å; N878-F880 VanDerWaalsContact O-N 3.15Å | |||
| 879 | E | 28.5 | Very low | 32 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | trans | -63.5 | 97.1 | 178.1 | -62.5 | 170.9 | 151.4 | 0 | 0 | 111.4 | ||||
| 880 | F | 27.1 | Very low | 32.4 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 83% | 0.833 | 62% | 0.618 | S | S | * | * | trans | -167.5 | 45.4 | 159.4 | -92 | -60.8 | 0 | 0 | 0 | 112.4 | N878 | N878-F880 PolarHBondContact O-N 3.48Å; N878-F880 VanDerWaalsContact O-N 3.15Å | ||
| 881 | Y | 27.2 | Very low | 33 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 66% | 0.659 | 62% | 0.617 | S | S | * | * | trans | -142.9 | 134.1 | -179.3 | -59 | -76.4 | 0 | 0 | 0 | 112.3 | ||||
| 882 | E | 27.9 | Very low | 32.9 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 78% | 0.78 | 63% | 0.633 | S | S | * | * | trans | -75.3 | 144 | -175.7 | -138.8 | 179.1 | -168.5 | 0 | 0 | 111.6 | T884 | E882-T884 PolarHBondContact O-N 2.69Å; E882-T884 VanDerWaalsContact O-N 3.07Å | ||
| 883 | L | 30.6 | Very low | 33.6 | Very low | 144 Ų | 144 | 131 Ų | 131 | 75% | 0.754 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -18.3 | -162.3 | -134.7 | 89.1 | 0 | 0 | 0 | 115.6 | Y886 | L883-Y886 PolarHBondContact O-N 3.04Š|
| 884 | T | 32 | Very low | 33.9 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 66% | 0.656 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.7 | -29.4 | -173.3 | 41.9 | 0 | 0 | 0 | 0 | 113.2 | E882 Y886 V887 | E882-T884 PolarHBondContact O-N 2.69Å; E882-T884 VanDerWaalsContact O-N 3.07Å; T884-Y886 PolarHBondContact O-N 3.18Å; T884-V887 PolarHBondContact O-N 3.05Å |
| 885 | A | 31.7 | Very low | 34.2 | Very low | 54 Ų | 54 | 127 Ų | 127 | 45% | 0.446 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63 | -31.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V887 L889 | A885-V887 PolarHBondContact O-N 3.08Å; A885-L889 HydrophobicContact CB-CD1 4.37Å; A885-L889 WeakPolarHBondContact O-CB 3.37Å; A885-L889 WeakPolarHBondContact O-CD1 3.34Å; A885-L889 WeakPolarHBondContact O-CG 3.06Å; A885-L889 PolarHBondContact O-N 3.21Å; A885-L889 VanDerWaalsContact O-N 3.16Å |
| 886 | Y | 31.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 126 Ų | 126 | 47% | 0.467 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.7 | -33 | -178.5 | -74.6 | -81.4 | 0 | 0 | 0 | 113.5 | L883 T884 D888 L889 D890 | L883-Y886 PolarHBondContact O-N 3.04Å; T884-Y886 PolarHBondContact O-N 3.18Å; Y886-D888 VanDerWaalsContact C-N 3.34Å; Y886-D888 PolarHBondContact O-N 3.27Å; Y886-L889 PolarHBondContact O-N 3.36Å; Y886-D890 WeakPolarHBondContact O-CB 3.44Å; Y886-D890 PolarHBondContact O-N 3.34Å |
| 887 | V | 36.3 | Very low | 34.6 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.1 | -32.5 | -174.9 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | T884 A885 | T884-V887 PolarHBondContact O-N 3.05Å; A885-V887 PolarHBondContact O-N 3.08Å |
| 888 | D | 38.7 | Very low | 34.8 | Very low | 96 Ų | 96 | 116 Ų | 116 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -85.9 | -31.9 | 175.3 | -71.6 | -32.5 | 0 | 0 | 0 | 111.9 | Y886 R891 | Y886-D888 VanDerWaalsContact C-N 3.34Å; Y886-D888 PolarHBondContact O-N 3.27Å; D888-R891 PolarHBondContact O-N 3.13Å |
| 889 | L | 34.7 | Very low | 34.9 | Very low | 47 Ų | 47 | 111.7 Ų | 111.7 | 25% | 0.246 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -66.3 | -35.1 | 174.1 | -80.3 | 162.4 | 0 | 0 | 0 | 113 | A885 Y886 R891 F892 Q898 | A885-L889 HydrophobicContact CB-CD1 4.37Å; A885-L889 WeakPolarHBondContact O-CB 3.37Å; A885-L889 WeakPolarHBondContact O-CD1 3.34Å; A885-L889 WeakPolarHBondContact O-CG 3.06Å; A885-L889 PolarHBondContact O-N 3.21Å; A885-L889 VanDerWaalsContact O-N 3.16Å; Y886-L889 PolarHBondContact O-N 3.36Å; L889-R891 PolarHBondContact O-N 3.25Å; L889-R891 VanDerWaalsContact O-N 3.16Å; L889-F892 PolarHBondContact O-N 3.44Å; L889-F892 VanDerWaalsContact O-N 3.13Å; L889-Q898 HydrophobicContact CD2-CB 4.14Å; L889-Q898 HydrophobicContact CD2-CG 4.03Å; L889-Q898 PolarHBondContact O-NE2 2.79Å |
| 890 | D | 41.4 | Very low | 35 | Very low | 131 Ų | 131 | 106.6 Ų | 106.6 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.5 | 176.8 | -99 | -1.1 | 0 | 0 | 0 | 113.5 | Y886 F892 | Y886-D890 WeakPolarHBondContact O-CB 3.44Å; Y886-D890 PolarHBondContact O-N 3.34Å; D890-F892 VanDerWaalsContact C-N 3.3Å |
| 891 | R | 47.6 | Very low | 35.1 | Very low | 189 Ų | 189 | 103.5 Ų | 103.5 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -14 | 173.8 | -65.2 | -173.8 | -172.8 | 177.9 | 7 | 113.5 | D888 L889 | D888-R891 PolarHBondContact O-N 3.13Å; L889-R891 PolarHBondContact O-N 3.25Å; L889-R891 VanDerWaalsContact O-N 3.16Å |
| 892 | F | 38 | Very low | 35.2 | Very low | 116 Ų | 116 | 102 Ų | 102 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | trans | -96.1 | 115.2 | -178.8 | -67.1 | -78.6 | 0 | 0 | 0 | 111.4 | L889 D890 N894 Q898 | L889-F892 PolarHBondContact O-N 3.44Å; L889-F892 VanDerWaalsContact O-N 3.13Å; D890-F892 VanDerWaalsContact C-N 3.3Å; F892-N894 PolarHBondContact O-N 3.26Å; F892-Q898 PolarHBondContact O-NE2 2.98Å | ||
| 893 | S | 44.4 | Very low | 35.4 | Very low | 129 Ų | 129 | 98.2 Ų | 98.2 | 90% | 0.902 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -65.4 | -9.4 | -178 | -42.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 894 | N | 39.6 | Very low | 35.2 | Very low | 65 Ų | 65 | 94.7 Ų | 94.7 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | trans | -110 | 111.2 | -173.7 | -170.2 | -27.9 | 0 | 0 | 0 | 111.6 | F892 H896 I897 Q898 | F892-N894 PolarHBondContact O-N 3.26Å; N894-H896 PolarHBondContact O-N 3.16Å; N894-H896 PolarHBondContact OD1-N 3.17Å; N894-I897 HydrophobicContact CB-CB 4.49Å; N894-I897 HydrophobicContact CB-CD1 4.03Å; N894-I897 HydrophobicContact CB-CG1 4.11Å; N894-I897 PolarHBondContact O-N 3.15Å; N894-I897 VanDerWaalsContact O-N 3.13Å; N894-Q898 PolarHBondContact O-N 3.43Å | ||
| 895 | P | 36.8 | Very low | 34.8 | Very low | 68 Ų | 68 | 96.9 Ų | 96.9 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -20.5 | -176.7 | 25.4 | -33.3 | 0 | 0 | 0 | 113.6 | S899 | P895-S899 PolarHBondContact O-N 3.22Å |
| 896 | H | 36 | Very low | 34.6 | Very low | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -77.2 | -29.1 | 176.8 | -66.6 | -62.8 | 0 | 0 | 0 | 112.7 | N894 S899 T900 | N894-H896 PolarHBondContact O-N 3.16Å; N894-H896 PolarHBondContact OD1-N 3.17Å; H896-S899 WeakPolarHBondContact CA-OG 3.09Å; H896-S899 PolarHBondContact O-N 3.26Å; H896-S899 PolarHBondContact O-OG 2.61Å; H896-T900 PolarHBondContact O-N 2.97Å; H896-T900 VanDerWaalsContact O-N 3.07Å; H896-T900 PolarHBondContact O-OG1 2.98Å |
| 897 | I | 35.9 | Very low | 34.4 | Very low | 90 Ų | 90 | 104.8 Ų | 104.8 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.4 | -42.1 | 173 | -62.2 | -180 | 0 | 0 | 0 | 109.7 | N894 S899 T900 | N894-I897 HydrophobicContact CB-CB 4.49Å; N894-I897 HydrophobicContact CB-CD1 4.03Å; N894-I897 HydrophobicContact CB-CG1 4.11Å; N894-I897 PolarHBondContact O-N 3.15Å; N894-I897 VanDerWaalsContact O-N 3.13Å; I897-S899 PolarHBondContact O-N 3.07Å; I897-T900 WeakPolarHBondContact CA-OG1 3.18Å; I897-T900 PolarHBondContact O-N 3.05Å; I897-T900 VanDerWaalsContact O-N 3.07Å; I897-T900 PolarHBondContact O-OG1 3.28Å |
| 898 | Q | 33.5 | Very low | 34 | Very low | 63 Ų | 63 | 108.1 Ų | 108.1 | 29% | 0.294 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -55.6 | -34.3 | 171 | -65.8 | 178.5 | -16.8 | 0 | 0 | 111.8 | L889 F892 N894 | L889-Q898 HydrophobicContact CD2-CB 4.14Å; L889-Q898 HydrophobicContact CD2-CG 4.03Å; L889-Q898 PolarHBondContact O-NE2 2.79Å; F892-Q898 PolarHBondContact O-NE2 2.98Å; N894-Q898 PolarHBondContact O-N 3.43Å |
| 899 | S | 34.3 | Very low | 33.5 | Very low | 43 Ų | 43 | 106.4 Ų | 106.4 | 30% | 0.301 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -81.6 | -19.1 | 178 | 75.9 | 0 | 0 | 0 | 0 | 115.5 | P895 H896 I897 L902 | P895-S899 PolarHBondContact O-N 3.22Å; H896-S899 WeakPolarHBondContact CA-OG 3.09Å; H896-S899 PolarHBondContact O-N 3.26Å; H896-S899 PolarHBondContact O-OG 2.61Å; I897-S899 PolarHBondContact O-N 3.07Å; S899-L902 WeakPolarHBondContact O-CB 3.3Å |
| 900 | T | 30.5 | Very low | 33.2 | Very low | 52 Ų | 52 | 111 Ų | 111 | 32% | 0.319 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -79.7 | -25.3 | -175.4 | -4.2 | 0 | 0 | 0 | 0 | 112.3 | H896 I897 | H896-T900 PolarHBondContact O-N 2.97Å; H896-T900 VanDerWaalsContact O-N 3.07Å; H896-T900 PolarHBondContact O-OG1 2.98Å; I897-T900 WeakPolarHBondContact CA-OG1 3.18Å; I897-T900 PolarHBondContact O-N 3.05Å; I897-T900 VanDerWaalsContact O-N 3.07Å; I897-T900 PolarHBondContact O-OG1 3.28Å |
| 901 | E | 29.2 | Very low | 32.4 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -83.8 | -10.1 | 178.5 | -133.7 | 171.1 | -155.6 | 0 | 0 | 113.8 | V903 V904 | E901-V903 PolarHBondContact O-N 2.94Å; E901-V904 HydrophobicContact CG-CB 4.28Å; E901-V904 PolarHBondContact O-N 3.02Å |
| 902 | L | 29.4 | Very low | 31.3 | Very low | 137 Ų | 137 | 113.2 Ų | 113.2 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -52.3 | -13.8 | 166.9 | -79.1 | 165.1 | 0 | 0 | 0 | 113.4 | S899 | S899-L902 WeakPolarHBondContact O-CB 3.3Š|
| 903 | V | 31.3 | Very low | 30.6 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 53% | 0.527 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -97.7 | -15.1 | -179 | -175.5 | 0 | 0 | 0 | 0 | 113.1 | L806 E901 | L806-V903 HydrophobicContact CD1-CG1 4.39Å; E901-V903 PolarHBondContact O-N 2.94Å |
| 904 | V | 26.1 | Very low | 29.6 | Very low | 70 Ų | 70 | 116.5 Ų | 116.5 | 42% | 0.424 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.6 | -25.5 | -158.9 | -174.3 | 0 | 0 | 0 | 0 | 116.6 | L758 E901 | L758-V904 HydrophobicContact CD2-CG2 3.58Å; E901-V904 HydrophobicContact CG-CB 4.28Å; E901-V904 PolarHBondContact O-N 3.02Å |
| 905 | E | 25.4 | Very low | 28.9 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | trans | -103.3 | 100.8 | -178.5 | -71 | -154.3 | 149.2 | 0 | 0 | 113.9 | ||||
| 906 | H | 25.9 | Very low | 28.2 | Very low | 184 Ų | 184 | 124 Ų | 124 | 85% | 0.852 | 64% | 0.642 | S | S | * | * | trans | -104 | 107.1 | 160 | -156.4 | -70.6 | 0 | 0 | 0 | 108.2 | L908 | H906-L908 PolarHBondContact O-N 3.44Š| ||
| 907 | H | 28.4 | Very low | 27.7 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | trans | -57.4 | 125.8 | -178.7 | -70.1 | -62.5 | 0 | 0 | 0 | 112 | G909 | H907-G909 PolarHBondContact O-N 2.56Å; H907-G909 VanDerWaalsContact O-N 3.07Å | ||
| 908 | L | 27.8 | Very low | 27.3 | Very low | 168 Ų | 168 | 130 Ų | 130 | 88% | 0.88 | 67% | 0.671 | S | S | * | * | trans | -64.6 | 98.9 | 157.3 | -82.1 | 107.5 | 0 | 0 | 0 | 107.4 | H906 D910 | H906-L908 PolarHBondContact O-N 3.44Å; L908-D910 VanDerWaalsContact C-N 3.31Å; L908-D910 PolarHBondContact O-N 3.23Å | ||
| 909 | G | 27.6 | Very low | 26.9 | Very low | 59 Ų | 59 | 134.3 Ų | 134.3 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | trans | -70.5 | 87.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H907 Y911 | H907-G909 PolarHBondContact O-N 2.56Å; H907-G909 VanDerWaalsContact O-N 3.07Å; G909-Y911 PolarHBondContact O-N 3.22Å | ||
| 910 | D | 27.6 | Very low | 26.6 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -70 | 105.1 | 152.5 | -83.1 | -23.5 | 0 | 0 | 0 | 106.9 | L908 I912 | L908-D910 VanDerWaalsContact C-N 3.31Å; L908-D910 PolarHBondContact O-N 3.23Å; D910-I912 PolarHBondContact O-N 3.46Å | ||
| 911 | Y | 25.2 | Very low | 26.4 | Very low | 221 Ų | 221 | 144 Ų | 144 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -59.3 | 81.9 | 172.7 | -86.6 | -99.8 | 0 | 0 | 0 | 110.1 | G909 M913 | G909-Y911 PolarHBondContact O-N 3.22Å; Y911-M913 PolarHBondContact O-N 2.65Å | ||
| 912 | I | 25.2 | Very low | 26.3 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -84.8 | 96.4 | 162.6 | -60.8 | 177 | 0 | 0 | 0 | 106.2 | D910 L914 | D910-I912 PolarHBondContact O-N 3.46Å; I912-L914 PolarHBondContact O-N 3.03Å | ||
| 913 | M | 21.8 | Very low | 26.2 | Very low | 165 Ų | 165 | 146.3 Ų | 146.3 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -50 | 104.3 | 166.9 | -82.1 | -77.8 | -162 | 0 | 0 | 109.2 | Y911 Q915 | Y911-M913 PolarHBondContact O-N 2.65Å; M913-Q915 PolarHBondContact O-N 2.98Å | ||
| 914 | L | 23.8 | Very low | 25.9 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -60.9 | 101 | 171.6 | -90.8 | 146.1 | 0 | 0 | 0 | 108.8 | I912 S916 Y917 | I912-L914 PolarHBondContact O-N 3.03Å; L914-S916 PolarHBondContact O-N 2.86Å; L914-Y917 HydrophobicContact CD2-CE2 4.12Å | ||
| 915 | Q | 24.9 | Very low | 25.8 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -57.3 | 128.3 | 166.2 | -75.6 | -176.8 | -18.8 | 0 | 0 | 108.8 | M913 Y917 | M913-Q915 PolarHBondContact O-N 2.98Å; Q915-Y917 PolarHBondContact O-N 2.92Å; Q915-Y917 VanDerWaalsContact O-N 3.12Å | ||
| 916 | S | 23.3 | Very low | 25.9 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -44.8 | 110.7 | 176 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | L914 | L914-S916 PolarHBondContact O-N 2.86Š| ||
| 917 | Y | 23.8 | Very low | 25.9 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124 | 167.9 | -79.4 | -88.2 | 0 | 0 | 0 | 109.5 | L914 Q915 | L914-Y917 HydrophobicContact CD2-CE2 4.12Å; Q915-Y917 PolarHBondContact O-N 2.92Å; Q915-Y917 VanDerWaalsContact O-N 3.12Å |
| 918 | P | 28.7 | Very low | 25.7 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 135.6 | 178.9 | 28.9 | -31.1 | 0 | 0 | 0 | 110.8 | ||
| 919 | N | 24.1 | Very low | 25.6 | Very low | 153 Ų | 153 | 149.1 Ų | 149.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 122.9 | -177.9 | -134.9 | -4.8 | 0 | 0 | 0 | 112.2 | Q921 | N919-Q921 PolarHBondContact O-N 3.32Å; N919-Q921 VanDerWaalsContact O-N 3.11Å |
| 920 | P | 28.4 | Very low | 25.6 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -75.8 | 102.9 | 176.4 | 28.7 | -29.6 | 0 | 0 | 0 | 109.4 | I922 | P920-I922 PolarHBondContact O-N 2.86Š| ||
| 921 | Q | 27.4 | Very low | 25.4 | Very low | 181 Ų | 181 | 150.8 Ų | 150.8 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -67.9 | 117.3 | 167.1 | -75.1 | -175.4 | -22.1 | 0 | 0 | 109.8 | N919 N923 | N919-Q921 PolarHBondContact O-N 3.32Å; N919-Q921 VanDerWaalsContact O-N 3.11Å; Q921-N923 PolarHBondContact O-N 2.91Å | ||
| 922 | I | 25.6 | Very low | 25.4 | Very low | 142 Ų | 142 | 147 Ų | 147 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | 11.2 | 108.4 | 137.3 | -55.8 | 166.1 | 0 | 0 | 0 | 113.7 | P920 | P920-I922 PolarHBondContact O-N 2.86Š| ||
| 923 | N | 28.4 | Very low | 25.4 | Very low | 169 Ų | 169 | 147 Ų | 147 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | trans | -139.6 | 96.3 | 147 | -106.6 | -8.9 | 0 | 0 | 0 | 108.2 | Q921 | Q921-N923 PolarHBondContact O-N 2.91Š| ||
| 924 | D | 24.1 | Very low | 25.7 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -62.3 | 157.4 | 159.6 | -76 | -45.7 | 0 | 0 | 0 | 110.4 | ||||
| 925 | Q | 24.2 | Very low | 25.8 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 84.7 | 108.3 | 163.7 | -44.7 | -177 | -2.6 | 0 | 0 | 116.3 | ||||
| 926 | I | 27.7 | Very low | 25.8 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | 171.1 | 115 | 101.6 | -81.7 | 162.1 | 0 | 0 | 0 | 109.5 | |||||
| 927 | H | 26.4 | Very low | 25.8 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 41 | 114.6 | 143.1 | -67.7 | -75.9 | 0 | 0 | 0 | 122.5 | ||||
| 928 | S | 23.3 | Very low | 25.8 | Very low | 85 Ų | 85 | 150.2 Ų | 150.2 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | 16.9 | 121.9 | 126.4 | 58.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 929 | H | 26.3 | Very low | 25.5 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | 178.8 | 130.8 | 120.1 | -92.3 | -67.1 | 0 | 0 | 0 | 112.6 | |||||
| 930 | H | 27.7 | Very low | 25.4 | Very low | 151 Ų | 151 | 151.4 Ų | 151.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 61.6 | 106 | 147.2 | -68.2 | -59.7 | 0 | 0 | 0 | 123.5 | ||||
| 931 | S | 23.3 | Very low | 25.3 | Very low | 88 Ų | 88 | 152.1 Ų | 152.1 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | 18.5 | 114.6 | 119 | 60.2 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 932 | N | 25 | Very low | 25.2 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | 161.7 | 132.6 | 109.4 | -93.8 | -18.2 | 0 | 0 | 0 | 112 | |||||
| 933 | N | 26.2 | Very low | 25.1 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 29.5 | 108.5 | 151.1 | -66.3 | -13.3 | 0 | 0 | 0 | 118.5 | ||||
| 934 | N | 27.1 | Very low | 24.9 | Very low | 163 Ų | 163 | 152.5 Ų | 152.5 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -139.9 | 119.2 | 149.4 | -92.5 | -36 | 0 | 0 | 0 | 112.2 | ||||
| 935 | I | 26.1 | Very low | 25 | Very low | 160 Ų | 160 | 152.9 Ų | 152.9 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | trans | -60.3 | 123.5 | 175.3 | -69.5 | 160.1 | 0 | 0 | 0 | 109 | K937 | I935-K937 PolarHBondContact O-N 3.24Å; I935-K937 VanDerWaalsContact O-N 3.12Å | ||
| 936 | I | 25.6 | Very low | 25 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | trans | -70.8 | 102.5 | 178.6 | -61.5 | 171.7 | 0 | 0 | 0 | 108.2 | Y938 | I936-Y938 PolarHBondContact O-N 3.36Š| ||
| 937 | K | 23.1 | Very low | 24.8 | Very low | 190 Ų | 190 | 154 Ų | 154 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -75.4 | 114.7 | 167.4 | -90.5 | 179.7 | 174.3 | 176.3 | 0 | 108.8 | I935 M939 | I935-K937 PolarHBondContact O-N 3.24Å; I935-K937 VanDerWaalsContact O-N 3.12Å; K937-M939 PolarHBondContact O-N 3.38Å | ||
| 938 | Y | 23.6 | Very low | 24.5 | Very low | 219 Ų | 219 | 151.2 Ų | 151.2 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -58.6 | 117.5 | 171.3 | -72.5 | -90 | 0 | 0 | 0 | 110.6 | I936 S940 | I936-Y938 PolarHBondContact O-N 3.36Å; Y938-S940 PolarHBondContact O-N 3.21Å | ||
| 939 | M | 22.6 | Very low | 24.5 | Very low | 180 Ų | 180 | 154.8 Ų | 154.8 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 115 | 170.2 | -81.4 | 175.8 | 60.5 | 0 | 0 | 109.4 | K937 V941 | K937-M939 PolarHBondContact O-N 3.38Å; M939-V941 PolarHBondContact O-N 3.43Å | ||
| 940 | S | 22 | Very low | 24.4 | Very low | 116 Ų | 116 | 155.7 Ų | 155.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 118 | 169.4 | 49.8 | 0 | 0 | 0 | 0 | 110.7 | Y938 | Y938-S940 PolarHBondContact O-N 3.21Š|
| 941 | V | 25.8 | Very low | 24.2 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 136.2 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | M939 | M939-V941 PolarHBondContact O-N 3.43Š|
| 942 | P | 25.1 | Very low | 24.3 | Very low | 118 Ų | 118 | 159 Ų | 159 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 137.6 | -163.2 | 0.7 | 18.2 | 0 | 0 | 0 | 113 | K944 | P942-K944 PolarHBondContact O-N 3.01Š|
| 943 | E | 24.2 | Very low | 24.4 | Very low | 191 Ų | 191 | 157.4 Ų | 157.4 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -62.5 | 115.5 | 167.9 | -68.7 | 174.8 | 145.7 | 0 | 0 | 111.2 | ||||
| 944 | K | 22.7 | Very low | 24.7 | Very low | 192 Ų | 192 | 155.8 Ų | 155.8 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -169.9 | 104.9 | 151.9 | -106.6 | 166.8 | -171.3 | -175.4 | 0 | 109.4 | P942 | P942-K944 PolarHBondContact O-N 3.01Š| ||
| 945 | D | 26.7 | Very low | 24.8 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 159.9 | 95 | 130.5 | -77.6 | -15.5 | 0 | 0 | 0 | 109 | L947 | D945-L947 PolarHBondContact O-N 3.32Š| ||
| 946 | Q | 24 | Very low | 24.9 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -66.2 | 92.7 | 172.5 | -69.2 | 175.4 | -5.6 | 0 | 0 | 109.2 | T948 | Q946-T948 PolarHBondContact O-N 3.03Š| ||
| 947 | L | 23.2 | Very low | 25 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -84.6 | 101.2 | 170.7 | -88.8 | 154 | 0 | 0 | 0 | 109.9 | D945 | D945-L947 PolarHBondContact O-N 3.32Š| ||
| 948 | T | 21.8 | Very low | 25.2 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | -68.1 | 137 | 177.7 | 49 | 0 | 0 | 0 | 0 | 113.4 | Q946 | Q946-T948 PolarHBondContact O-N 3.03Š| ||
| 949 | N | 23.2 | Very low | 25.5 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | trans | 54.9 | 75.3 | 149.8 | -65 | -13.2 | 0 | 0 | 0 | 118.4 | ||||
| 950 | F | 23.6 | Very low | 25.8 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | -86.5 | 108.7 | 152.7 | -82 | -81.5 | 0 | 0 | 0 | 109.7 | Y952 | F950-Y952 PolarHBondContact O-N 3.49Š| ||
| 951 | S | 23.6 | Very low | 26.2 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -69.9 | 104.4 | 169.3 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | P953 | S951-P953 WeakPolarHBondContact O-CD 3.4Š| ||
| 952 | Y | 25.1 | Very low | 26.4 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -58.5 | 118.5 | 174.2 | -78 | -92.7 | 0 | 0 | 0 | 110.5 | F950 T954 | F950-Y952 PolarHBondContact O-N 3.49Å; Y952-T954 PolarHBondContact O-N 3.08Å | ||
| 953 | P | 26.8 | Very low | 26.7 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 69% | 0.688 | 68% | 0.68 | S | S | * | * | trans | -65.3 | 129.2 | 162.2 | -5 | 21.5 | 0 | 0 | 0 | 107 | S951 L955 | S951-P953 WeakPolarHBondContact O-CD 3.4Å; P953-L955 PolarHBondContact O-N 2.99Å; P953-L955 VanDerWaalsContact O-N 3.15Å | ||
| 954 | T | 31.8 | Very low | 27 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 69% | 0.687 | 67% | 0.67 | S | S | * | * | trans | -44.4 | 115.7 | -174.3 | -1.9 | 0 | 0 | 0 | 0 | 111.8 | Y952 S956 N957 | Y952-T954 PolarHBondContact O-N 3.08Å; T954-S956 PolarHBondContact O-N 3.28Å; T954-N957 PolarHBondContact O-N 2.97Å; T954-N957 VanDerWaalsContact O-N 3.17Å | ||
| 955 | L | 29.2 | Very low | 27.3 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 49% | 0.492 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.7 | -16.6 | -177.7 | -93.1 | 96.8 | 0 | 0 | 0 | 115.1 | P953 N957 I958 Y959 | P953-L955 PolarHBondContact O-N 2.99Å; P953-L955 VanDerWaalsContact O-N 3.15Å; L955-N957 PolarHBondContact O-N 3.21Å; L955-I958 PolarHBondContact O-N 2.87Å; L955-Y959 HydrophobicContact CD2-CE2 3.93Å; L955-Y959 WeakPolarHBondContact O-CD2 3.49Å; L955-Y959 PolarHBondContact O-N 3.45Å |
| 956 | S | 29 | Very low | 27.5 | Very low | 82 Ų | 82 | 124.3 Ų | 124.3 | 57% | 0.573 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -56.9 | -28.3 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 113.9 | T954 M960 | T954-S956 PolarHBondContact O-N 3.28Å; S956-M960 WeakPolarHBondContact O-CG 3Å |
| 957 | N | 28.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 60% | 0.599 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.2 | -33.2 | 178.6 | -73.9 | -17.6 | 0 | 0 | 0 | 112.2 | T954 L955 M960 D961 | T954-N957 PolarHBondContact O-N 2.97Å; T954-N957 VanDerWaalsContact O-N 3.17Å; L955-N957 PolarHBondContact O-N 3.21Å; N957-M960 PolarHBondContact O-N 3.32Å; N957-D961 PolarHBondContact O-N 2.94Å |
| 958 | I | 27.6 | Very low | 28.2 | Very low | 112 Ų | 112 | 112 Ų | 112 | 57% | 0.574 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.3 | -39.5 | -176.7 | -60.9 | 172.7 | 0 | 0 | 0 | 111 | L955 D961 L962 | L955-I958 PolarHBondContact O-N 2.87Å; I958-D961 PolarHBondContact O-N 3.46Å; I958-L962 PolarHBondContact O-N 3.32Å |
| 959 | Y | 29 | Very low | 28.7 | Very low | 136 Ų | 136 | 110.9 Ų | 110.9 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.9 | -30.4 | 178.7 | -76.4 | -73.1 | 0 | 0 | 0 | 113.6 | L955 D961 L962 G963 | L955-Y959 HydrophobicContact CD2-CE2 3.93Å; L955-Y959 WeakPolarHBondContact O-CD2 3.49Å; L955-Y959 PolarHBondContact O-N 3.45Å; Y959-D961 VanDerWaalsContact C-N 3.26Å; Y959-D961 PolarHBondContact O-N 2.78Å; Y959-L962 HydrophobicContact CD1-CD2 4.13Å; Y959-L962 HydrophobicContact CE1-CD2 4.38Å; Y959-L962 PolarHBondContact O-N 3.23Å; Y959-G963 PolarHBondContact O-N 3.15Å; Y959-G963 VanDerWaalsContact O-N 3.12Å |
| 960 | M | 30 | Very low | 28.8 | Very low | 135 Ų | 135 | 110.6 Ų | 110.6 | 67% | 0.665 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.9 | -31.3 | 171.8 | -71.7 | -67.9 | -115.9 | 0 | 0 | 111.6 | S956 N957 R964 | S956-M960 WeakPolarHBondContact O-CG 3Å; N957-M960 PolarHBondContact O-N 3.32Å; M960-R964 PolarHBondContact O-N 2.84Å |
| 961 | D | 30 | Very low | 28.9 | Very low | 98 Ų | 98 | 105.9 Ų | 105.9 | 52% | 0.524 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76.5 | -30.8 | 171.9 | -75.3 | -19.7 | 0 | 0 | 0 | 112.4 | N957 I958 Y959 R964 S965 | N957-D961 PolarHBondContact O-N 2.94Å; I958-D961 PolarHBondContact O-N 3.46Å; Y959-D961 VanDerWaalsContact C-N 3.26Å; Y959-D961 PolarHBondContact O-N 2.78Å; D961-R964 CarbonylContact O-C 3.6Å; D961-R964 WeakPolarHBondContact O-CA 3.43Å; D961-R964 WeakPolarHBondContact O-CB 3.33Å; D961-R964 PolarHBondContact O-N 3.49Å; D961-R964 VanDerWaalsContact O-N 3.11Å; D961-S965 WeakPolarHBondContact O-CB 3.49Å; D961-S965 PolarHBondContact O-N 3.12Å |
| 962 | L | 29.9 | Very low | 29 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.7 | -42.2 | 174.2 | -163.2 | 75.9 | 0 | 0 | 0 | 112.1 | I958 Y959 R964 S965 I966 | I958-L962 PolarHBondContact O-N 3.32Å; Y959-L962 HydrophobicContact CD1-CD2 4.13Å; Y959-L962 HydrophobicContact CE1-CD2 4.38Å; Y959-L962 PolarHBondContact O-N 3.23Å; L962-R964 PolarHBondContact O-N 3.43Å; L962-S965 PolarHBondContact O-N 3.17Å; L962-S965 VanDerWaalsContact O-N 3.13Å; L962-I966 PolarHBondContact O-N 3.38Å |
| 963 | G | 30.1 | Very low | 28.9 | Very low | 36 Ų | 36 | 101.5 Ų | 101.5 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.4 | -35.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y959 C967 | Y959-G963 PolarHBondContact O-N 3.15Å; Y959-G963 VanDerWaalsContact O-N 3.12Å; G963-C967 PolarHBondContact O-SG 2.88Å |
| 964 | R | 30.7 | Very low | 28.9 | Very low | 185 Ų | 185 | 103.4 Ų | 103.4 | 70% | 0.698 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.4 | -33.6 | 174 | -67.2 | -178 | -166.5 | -148.3 | 6.8 | 113 | M960 D961 L962 C967 A968 | M960-R964 PolarHBondContact O-N 2.84Å; D961-R964 CarbonylContact O-C 3.6Å; D961-R964 WeakPolarHBondContact O-CA 3.43Å; D961-R964 WeakPolarHBondContact O-CB 3.33Å; D961-R964 PolarHBondContact O-N 3.49Å; D961-R964 VanDerWaalsContact O-N 3.11Å; L962-R964 PolarHBondContact O-N 3.43Å; R964-C967 WeakPolarHBondContact O-CB 3.06Å; R964-C967 PolarHBondContact O-N 3Å; R964-A968 PolarHBondContact O-N 3.12Å; R964-A968 VanDerWaalsContact O-N 3.14Å |
| 965 | S | 30.6 | Very low | 28.6 | Very low | 81 Ų | 81 | 106.4 Ų | 106.4 | 57% | 0.566 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.1 | -37.5 | -177.9 | -151.9 | 0 | 0 | 0 | 0 | 112.2 | D961 L962 C967 A968 | D961-S965 WeakPolarHBondContact O-CB 3.49Å; D961-S965 PolarHBondContact O-N 3.12Å; L962-S965 PolarHBondContact O-N 3.17Å; L962-S965 VanDerWaalsContact O-N 3.13Å; S965-C967 PolarHBondContact O-N 3.18Å; S965-A968 WeakPolarHBondContact O-CB 3.42Å; S965-A968 PolarHBondContact O-N 3.31Å |
| 966 | I | 30.6 | Very low | 28.5 | Very low | 122 Ų | 122 | 107 Ų | 107 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.1 | -33.9 | 170.5 | -65 | 170.9 | 0 | 0 | 0 | 110.5 | L962 A968 | L962-I966 PolarHBondContact O-N 3.38Å; I966-A968 VanDerWaalsContact C-N 3.32Å; I966-A968 PolarHBondContact O-N 3.42Å |
| 967 | C | 30.9 | Very low | 28.4 | Very low | 36 Ų | 36 | 111 Ų | 111 | 24% | 0.243 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -71.6 | -23.5 | 173.3 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | C814 G963 R964 S965 A969 H970 F972 | C814-C967 PolarHBondContact SG-SG 2.8Å; G963-C967 PolarHBondContact O-SG 2.88Å; R964-C967 WeakPolarHBondContact O-CB 3.06Å; R964-C967 PolarHBondContact O-N 3Å; S965-C967 PolarHBondContact O-N 3.18Å; C967-A969 VanDerWaalsContact C-N 3.29Å; C967-A969 PolarHBondContact O-N 3.35Å; C967-H970 PolarHBondContact O-N 3.49Å; C967-H970 VanDerWaalsContact O-N 3.13Å; C967-F972 VanDerWaalsContact C-CE2 3.47Å; C967-F972 HydrophobicContact CB-CE2 3.98Å; C967-F972 HydrophobicContact CB-CZ 3.9Å; C967-F972 WeakPolarHBondContact O-CE2 3.45Å |
| 968 | A | 30.3 | Very low | 28.4 | Very low | 53 Ų | 53 | 112.2 Ų | 112.2 | 44% | 0.438 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.5 | -19.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R964 S965 I966 H970 F972 | R964-A968 PolarHBondContact O-N 3.12Å; R964-A968 VanDerWaalsContact O-N 3.14Å; S965-A968 WeakPolarHBondContact O-CB 3.42Å; S965-A968 PolarHBondContact O-N 3.31Å; I966-A968 VanDerWaalsContact C-N 3.32Å; I966-A968 PolarHBondContact O-N 3.42Å; A968-H970 PolarHBondContact O-N 3.22Å; A968-H970 VanDerWaalsContact O-N 3.14Å; A968-F972 HydrophobicContact CB-CD2 4.24Å; A968-F972 HydrophobicContact CB-CE2 4.25Å |
| 969 | A | 31.8 | Very low | 28.3 | Very low | 86 Ų | 86 | 112.3 Ų | 112.3 | 71% | 0.711 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -11.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C967 | C967-A969 VanDerWaalsContact C-N 3.29Å; C967-A969 PolarHBondContact O-N 3.35Å |
| 970 | H | 26.9 | Very low | 28.3 | Very low | 153 Ų | 153 | 115 Ų | 115 | 71% | 0.708 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -106.9 | 65.8 | 172.5 | -64.5 | -54.1 | 0 | 0 | 0 | 111.8 | C967 A968 F972 | C967-H970 PolarHBondContact O-N 3.49Å; C967-H970 VanDerWaalsContact O-N 3.13Å; A968-H970 PolarHBondContact O-N 3.22Å; A968-H970 VanDerWaalsContact O-N 3.14Å; H970-F972 PolarHBondContact O-N 2.97Å |
| 971 | S | 25.8 | Very low | 28.2 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | trans | 32.8 | 81.1 | 160.4 | 68 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 972 | F | 24.7 | Very low | 28.3 | Very low | 132 Ų | 132 | 119 Ų | 119 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | trans | -80 | 149 | 165.8 | -70 | -72.2 | 0 | 0 | 0 | 111.4 | C967 A968 H970 N974 | C967-F972 VanDerWaalsContact C-CE2 3.47Å; C967-F972 HydrophobicContact CB-CE2 3.98Å; C967-F972 HydrophobicContact CB-CZ 3.9Å; C967-F972 WeakPolarHBondContact O-CE2 3.45Å; A968-F972 HydrophobicContact CB-CD2 4.24Å; A968-F972 HydrophobicContact CB-CE2 4.25Å; H970-F972 PolarHBondContact O-N 2.97Å; F972-N974 PolarHBondContact O-N 2.85Å | ||
| 973 | P | 24 | Very low | 28.2 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | trans | -69.6 | 128.5 | 175.6 | 28.8 | -31.8 | 0 | 0 | 0 | 110.4 | F975 | P973-F975 HydrophobicContact CG-CE2 4.43Å; P973-F975 WeakPolarHBondContact O-CD2 3.4Å; P973-F975 PolarHBondContact O-N 3.17Å | ||
| 974 | N | 26 | Very low | 28.3 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | trans | -56.3 | 106.4 | 174.8 | -81.4 | -18.9 | 0 | 0 | 0 | 110.8 | F972 T976 | F972-N974 PolarHBondContact O-N 2.85Å; N974-T976 PolarHBondContact O-N 2.96Å | ||
| 975 | F | 24.9 | Very low | 28.6 | Very low | 175 Ų | 175 | 121.7 Ų | 121.7 | 77% | 0.768 | 67% | 0.666 | S | S | * | * | trans | -77.5 | 44.8 | 169 | -84.9 | -84.3 | 0 | 0 | 0 | 112 | P973 | P973-F975 HydrophobicContact CG-CE2 4.43Å; P973-F975 WeakPolarHBondContact O-CD2 3.4Å; P973-F975 PolarHBondContact O-N 3.17Å | ||
| 976 | T | 28.1 | Very low | 28.7 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | trans | -102.9 | 68.6 | 174.1 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | N974 | N974-T976 PolarHBondContact O-N 2.96Š| ||
| 977 | D | 27.2 | Very low | 28.8 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | trans | -157.9 | 31.1 | 163.5 | -92.2 | -25.9 | 0 | 0 | 0 | 111.6 | ||||
| 978 | I | 26.9 | Very low | 29 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -104.2 | 115 | 167.5 | -57 | 176.9 | 0 | 0 | 0 | 107.1 | H980 | I978-H980 PolarHBondContact O-N 3.29Š|
| 979 | P | 27.2 | Very low | 29.2 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | -66 | 124.5 | -172.2 | 24.2 | -31.2 | 0 | 0 | 0 | 111.5 | F981 | P979-F981 PolarHBondContact O-N 3.47Š| ||
| 980 | H | 28.4 | Very low | 29.2 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 89% | 0.894 | 71% | 0.708 | S | S | * | * | trans | -4.8 | 95.8 | 164.5 | -84.7 | -91.5 | 0 | 0 | 0 | 115.6 | I978 | I978-H980 PolarHBondContact O-N 3.29Š| ||
| 981 | F | 27.8 | Very low | 29.3 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | trans | -93.2 | 107.3 | 163.6 | -142.5 | -99.2 | 0 | 0 | 0 | 107.6 | P979 W983 | P979-F981 PolarHBondContact O-N 3.47Å; F981-W983 PolarHBondContact O-N 3.43Å; F981-W983 VanDerWaalsContact O-N 3.13Å | ||
| 982 | D | 32.3 | Very low | 29.5 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | trans | -79.2 | 94.7 | -165.8 | -154.1 | -7.5 | 0 | 0 | 0 | 111.6 | A984 | D982-A984 PolarHBondContact O-N 3.29Š| ||
| 983 | W | 28.2 | Very low | 29.8 | Very low | 226 Ų | 226 | 136.3 Ų | 136.3 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -68.4 | -13.2 | -178 | -89.5 | 60.7 | 0 | 0 | 0 | 113.7 | F981 A985 | F981-W983 PolarHBondContact O-N 3.43Å; F981-W983 VanDerWaalsContact O-N 3.13Å; W983-A985 VanDerWaalsContact C-N 3.32Å; W983-A985 PolarHBondContact O-N 2.91Å |
| 984 | A | 32.1 | Very low | 30 | Very low | 71 Ų | 71 | 142.2 Ų | 142.2 | 59% | 0.587 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -71.2 | -22.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D982 K986 | D982-A984 PolarHBondContact O-N 3.29Å; A984-K986 VanDerWaalsContact C-N 3.31Å; A984-K986 PolarHBondContact O-N 2.97Å |
| 985 | A | 35.4 | Very low | 29.9 | Very low | 73 Ų | 73 | 146.2 Ų | 146.2 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -75.5 | -11 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W983 | W983-A985 VanDerWaalsContact C-N 3.32Å; W983-A985 PolarHBondContact O-N 2.91Å |
| 986 | K | 33.6 | Very low | 30 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -106.9 | -13.3 | -176.7 | -105 | -177.1 | 178.2 | 179.1 | 0 | 115.9 | A984 | A984-K986 VanDerWaalsContact C-N 3.31Å; A984-K986 PolarHBondContact O-N 2.97Å |
| 987 | Q | 32.3 | Very low | 30 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -76.7 | -24.9 | -177.3 | -124.6 | 170.9 | -3.3 | 0 | 0 | 113.3 | N989 | Q987-N989 VanDerWaalsContact C-N 3.33Å; Q987-N989 PolarHBondContact O-N 3.05Å |
| 988 | S | 34.5 | Very low | 29.8 | Very low | 84 Ų | 84 | 144.3 Ų | 144.3 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -78 | -10.9 | 178.2 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 989 | N | 35.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 65% | 0.647 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -100 | -1.7 | -178.1 | -82.6 | -31.5 | 0 | 0 | 0 | 114.7 | Q987 | Q987-N989 VanDerWaalsContact C-N 3.33Å; Q987-N989 PolarHBondContact O-N 3.05Å |
| 990 | L | 30.9 | Very low | 29.7 | Very low | 139 Ų | 139 | 146 Ų | 146 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -109.1 | -10.6 | -176.9 | -90.5 | 144.1 | 0 | 0 | 0 | 114.8 | ||
| 991 | S | 29 | Very low | 29.6 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -91.2 | -3.6 | 178.4 | 61 | 0 | 0 | 0 | 0 | 115.1 | ||
| 992 | S | 30.9 | Very low | 29.4 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -108.6 | 16.3 | -174.2 | 80.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 993 | K | 30.9 | Very low | 29.1 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -121.9 | 9.3 | -175.3 | -93.8 | -172.8 | 177.5 | -178.8 | 0 | 117.9 | ||
| 994 | Y | 26.9 | Very low | 29 | Very low | 209 Ų | 209 | 137.3 Ų | 137.3 | 82% | 0.82 | 75% | 0.748 | S | S | * | * | trans | -131.4 | 64.4 | 175.5 | -71.2 | -80.1 | 0 | 0 | 0 | 112.5 | ||||
| 995 | Y | 24.1 | Very low | 28.7 | Very low | 231 Ų | 231 | 140.4 Ų | 140.4 | 91% | 0.906 | 75% | 0.754 | S | S | * | * | trans | -147 | 98.3 | 154.2 | -89.6 | -80.4 | 0 | 0 | 0 | 107.2 | ||||
| 996 | K | 27.3 | Very low | 28.1 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 178.9 | 127.7 | 143.7 | -101.2 | 173.5 | -177.8 | -171.3 | 0 | 112.3 | ||||
| 997 | D | 29.2 | Very low | 27.8 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 71.1 | 96.6 | 143.3 | -52.7 | -23.9 | 0 | 0 | 0 | 119.7 | ||||
| 998 | G | 23.3 | Very low | 27.5 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | 57.9 | 129 | 101.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 999 | N | 24.8 | Very low | 27.1 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | 101.3 | 115.8 | 155 | -72.1 | -14.3 | 0 | 0 | 0 | 120.2 | ||||
| 1000 | N | 25.7 | Very low | 26.6 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | 76 | 114.6 | 133.1 | -70.5 | -8.9 | 0 | 0 | 0 | 121.9 | ||||
| 1001 | S | 26 | Very low | 26.3 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 66.5 | 109.7 | 131.9 | 62.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1002 | N | 24 | Very low | 26.2 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | 38 | 91 | 130.3 | -66.4 | -11.2 | 0 | 0 | 0 | 118 | ||||
| 1003 | E | 26.1 | Very low | 25.9 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 124.4 | 142 | -78.6 | -168.6 | 158.9 | 0 | 0 | 110.2 | L1005 | E1003-L1005 PolarHBondContact O-N 3.35Š| ||
| 1004 | A | 26.1 | Very low | 25.6 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -66.7 | 116.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1005 | L | 25.7 | Very low | 25.6 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | -110.9 | 89 | 167.1 | -101.7 | 152.8 | 0 | 0 | 0 | 109.4 | E1003 H1007 | E1003-L1005 PolarHBondContact O-N 3.35Å; L1005-H1007 PolarHBondContact O-N 3.15Å | ||
| 1006 | N | 23.1 | Very low | 25.7 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -56.9 | 95.6 | 157.8 | -76.9 | -33.5 | 0 | 0 | 0 | 109 | ||||
| 1007 | H | 28.3 | Very low | 25.6 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | trans | -95.6 | 93.4 | 161.6 | -86.2 | -63.6 | 0 | 0 | 0 | 109 | L1005 I1009 | L1005-H1007 PolarHBondContact O-N 3.15Å; H1007-I1009 PolarHBondContact O-N 3.4Å; H1007-I1009 VanDerWaalsContact O-N 3.12Å | ||
| 1008 | S | 25.2 | Very low | 25.5 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -51.2 | 110.9 | 159.4 | 39.6 | 0 | 0 | 0 | 0 | 109.2 | S1010 | S1008-S1010 PolarHBondContact O-N 2.67Š| ||
| 1009 | I | 26.5 | Very low | 25.7 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -66 | 99.4 | 172.9 | -64.9 | 169.2 | 0 | 0 | 0 | 106.5 | H1007 N1011 | H1007-I1009 PolarHBondContact O-N 3.4Å; H1007-I1009 VanDerWaalsContact O-N 3.12Å; I1009-N1011 PolarHBondContact O-N 3.39Å | ||
| 1010 | S | 24.8 | Very low | 25.6 | Very low | 104 Ų | 104 | 150.5 Ų | 150.5 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -70.7 | 123.1 | 173.1 | 48.1 | 0 | 0 | 0 | 0 | 109.3 | S1008 V1012 | S1008-S1010 PolarHBondContact O-N 2.67Å; S1010-V1012 PolarHBondContact O-N 2.88Å | ||
| 1011 | N | 25.4 | Very low | 25.7 | Very low | 153 Ų | 153 | 153.1 Ų | 153.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -48.9 | 115.7 | 176.7 | -72.4 | -43 | 0 | 0 | 0 | 111.5 | I1009 E1013 | I1009-N1011 PolarHBondContact O-N 3.39Å; N1011-E1013 VanDerWaalsContact C-N 3.34Å; N1011-E1013 PolarHBondContact O-N 3.49Å | ||
| 1012 | V | 26.8 | Very low | 25.6 | Very low | 135 Ų | 135 | 158 Ų | 158 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -71.8 | 92.4 | 167.3 | 177.3 | 0 | 0 | 0 | 0 | 107.5 | S1010 L1014 | S1010-V1012 PolarHBondContact O-N 2.88Å; V1012-L1014 PolarHBondContact O-N 3.21Å; V1012-L1014 VanDerWaalsContact O-N 3.13Å | ||
| 1013 | E | 23.7 | Very low | 25.7 | Very low | 165 Ų | 165 | 157 Ų | 157 | 77% | 0.771 | 82% | 0.816 | S | S | * | * | trans | -62.1 | 110.1 | 165.8 | -80.4 | -173.6 | 144.1 | 0 | 0 | 109.3 | N1011 N1015 | N1011-E1013 VanDerWaalsContact C-N 3.34Å; N1011-E1013 PolarHBondContact O-N 3.49Å; E1013-N1015 VanDerWaalsContact C-N 3.32Å; E1013-N1015 PolarHBondContact O-N 2.99Å | ||
| 1014 | L | 24.4 | Very low | 25.7 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -60.5 | 93.7 | 165.8 | -91.4 | 148.3 | 0 | 0 | 0 | 109 | V1012 K1016 | V1012-L1014 PolarHBondContact O-N 3.21Å; V1012-L1014 VanDerWaalsContact O-N 3.13Å; L1014-K1016 PolarHBondContact O-N 3.5Å | ||
| 1015 | N | 27.5 | Very low | 25.8 | Very low | 155 Ų | 155 | 159.6 Ų | 159.6 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -53.6 | 105.7 | 173.6 | -89.9 | -42.1 | 0 | 0 | 0 | 110.6 | E1013 | E1013-N1015 VanDerWaalsContact C-N 3.32Å; E1013-N1015 PolarHBondContact O-N 2.99Å | ||
| 1016 | K | 25.9 | Very low | 25.7 | Very low | 189 Ų | 189 | 162.3 Ų | 162.3 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -54.9 | 134.1 | 172.5 | -73.7 | 173.9 | 177.1 | 170 | 0 | 110.5 | L1014 | L1014-K1016 PolarHBondContact O-N 3.5Š| ||
| 1017 | T | 25.2 | Very low | 25.7 | Very low | 121 Ų | 121 | 160.6 Ų | 160.6 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | 55.2 | 82.1 | 148.3 | 56.3 | 0 | 0 | 0 | 0 | 117.3 | K1019 | T1017-K1019 VanDerWaalsContact C-N 3.28Å; T1017-K1019 PolarHBondContact O-N 3.42Å | ||
| 1018 | K | 27.4 | Very low | 25.8 | Very low | 214 Ų | 214 | 159.3 Ų | 159.3 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -63.1 | 92.9 | 152 | -78.5 | -175.9 | 178.2 | 177.1 | 0 | 108.9 | L1020 | K1018-L1020 PolarHBondContact O-N 2.89Š| ||
| 1019 | K | 26.7 | Very low | 25.7 | Very low | 187 Ų | 187 | 161.1 Ų | 161.1 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -48.7 | 123.8 | 163.4 | -78.8 | 178.2 | 174.1 | 175.8 | 0 | 108.7 | T1017 K1021 | T1017-K1019 VanDerWaalsContact C-N 3.28Å; T1017-K1019 PolarHBondContact O-N 3.42Å; K1019-K1021 PolarHBondContact O-N 3.2Å | ||
| 1020 | L | 23.7 | Very low | 25.8 | Very low | 177 Ų | 177 | 161 Ų | 161 | 93% | 0.927 | 83% | 0.827 | S | S | * | * | trans | -50.6 | 101.6 | 165.4 | -97.7 | 88.1 | 0 | 0 | 0 | 108.7 | K1018 K1022 | K1018-L1020 PolarHBondContact O-N 2.89Å; L1020-K1022 PolarHBondContact O-N 3Å | ||
| 1021 | K | 26.4 | Very low | 25.8 | Very low | 193 Ų | 193 | 162.1 Ų | 162.1 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -74.1 | 118.1 | 163.5 | -90.7 | -178.6 | 173.2 | 178.7 | 0 | 106.8 | K1019 V1023 | K1019-K1021 PolarHBondContact O-N 3.2Å; K1021-V1023 PolarHBondContact O-N 3.38Å; K1021-V1023 VanDerWaalsContact O-N 3.11Å | ||
| 1022 | K | 24.9 | Very low | 25.9 | Very low | 203 Ų | 203 | 161.8 Ų | 161.8 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -40.7 | 113.7 | 169.7 | -75.8 | 176.2 | 171.7 | 179.4 | 0 | 110 | L1020 K1024 | L1020-K1022 PolarHBondContact O-N 3Å; K1022-K1024 PolarHBondContact O-N 3.49Å | ||
| 1023 | V | 26.3 | Very low | 26 | Very low | 144 Ų | 144 | 165.4 Ų | 165.4 | 87% | 0.873 | 83% | 0.828 | S | S | * | * | trans | -67.4 | 100.7 | 166.8 | 176.8 | 0 | 0 | 0 | 0 | 105.9 | K1021 | K1021-V1023 PolarHBondContact O-N 3.38Å; K1021-V1023 VanDerWaalsContact O-N 3.11Å | ||
| 1024 | K | 25.2 | Very low | 26.4 | Very low | 185 Ų | 185 | 164.9 Ų | 164.9 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -83.3 | 136.5 | 165.6 | -104.6 | -174.9 | 173.2 | -173.9 | 0 | 107.5 | K1022 Q1026 | K1022-K1024 PolarHBondContact O-N 3.49Å; K1024-Q1026 PolarHBondContact O-N 3.06Å | ||
| 1025 | D | 27.8 | Very low | 26.7 | Very low | 155 Ų | 155 | 164.1 Ų | 164.1 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | -47.3 | 121.6 | 178.6 | -53.7 | -62.4 | 0 | 0 | 0 | 112.7 | ||||
| 1026 | Q | 24.3 | Very low | 26.8 | Very low | 193 Ų | 193 | 167.1 Ų | 167.1 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -130.9 | 80.1 | 159 | -78.4 | -175.2 | -11.8 | 0 | 0 | 106.9 | K1024 | K1024-Q1026 PolarHBondContact O-N 3.06Š| ||
| 1027 | C | 23.9 | Very low | 26.7 | Very low | 116 Ų | 116 | 167 Ų | 167 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | trans | -83.4 | 144 | 157.3 | -77.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1028 | P | 28.9 | Very low | 26.7 | Very low | 125 Ų | 125 | 167.9 Ų | 167.9 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | trans | -79 | 135.4 | -159.4 | 21.4 | -12.9 | 0 | 0 | 0 | 111.6 | N1030 | P1028-N1030 PolarHBondContact O-N 3.48Å; P1028-N1030 VanDerWaalsContact O-N 3.1Å | ||
| 1029 | I | 24.8 | Very low | 26.6 | Very low | 147 Ų | 147 | 166.8 Ų | 166.8 | 75% | 0.754 | 83% | 0.828 | S | S | * | * | trans | -61.2 | 105.8 | 173.9 | -64 | 159.9 | 0 | 0 | 0 | 107.9 | N1031 | I1029-N1031 VanDerWaalsContact CG2-OD1 3.22Å; I1029-N1031 WeakPolarHBondContact CG2-OD1 3.29Å | ||
| 1030 | N | 27.2 | Very low | 26.6 | Very low | 159 Ų | 159 | 169 Ų | 169 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -100.1 | 102.2 | 163.5 | -150.4 | 5.4 | 0 | 0 | 0 | 106.8 | P1028 N1032 | P1028-N1030 PolarHBondContact O-N 3.48Å; P1028-N1030 VanDerWaalsContact O-N 3.1Å; N1030-N1032 PolarHBondContact O-N 2.95Å | ||
| 1031 | N | 25.1 | Very low | 26.6 | Very low | 126 Ų | 126 | 169.5 Ų | 169.5 | 67% | 0.674 | 83% | 0.829 | S | S | * | * | trans | -65.6 | 114 | 175.7 | -68.7 | -32.8 | 0 | 0 | 0 | 108.5 | I1029 | I1029-N1031 VanDerWaalsContact CG2-OD1 3.22Å; I1029-N1031 WeakPolarHBondContact CG2-OD1 3.29Å | ||
| 1032 | N | 28.6 | Very low | 26.4 | Very low | 146 Ų | 146 | 168.7 Ų | 168.7 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | 174.4 | 105.7 | 148 | -87.2 | -22.7 | 0 | 0 | 0 | 105.9 | N1030 | N1030-N1032 PolarHBondContact O-N 2.95Š| ||
| 1033 | F | 28.7 | Very low | 26.4 | Very low | 212 Ų | 212 | 166.4 Ų | 166.4 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | 178.3 | 97.9 | 138.5 | -95.9 | -66.4 | 0 | 0 | 0 | 107.6 | ||||
| 1034 | D | 30.8 | Very low | 26.5 | Very low | 153 Ų | 153 | 168.3 Ų | 168.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -61.6 | 142.1 | 170.9 | -77.1 | -43.1 | 0 | 0 | 0 | 112.1 | ||||
| 1035 | D | 30.7 | Very low | 26.4 | Very low | 147 Ų | 147 | 164.1 Ų | 164.1 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | 28.7 | 107.8 | 149.5 | -71.4 | -27.8 | 0 | 0 | 0 | 119.6 | ||||
| 1036 | K | 30.4 | Very low | 26.3 | Very low | 217 Ų | 217 | 161.2 Ų | 161.2 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -160.6 | 91.9 | 132 | -106.5 | 163.4 | -167.5 | -179.5 | 0 | 110.9 | ||||
| 1037 | K | 23.7 | Very low | 26.8 | Very low | 186 Ų | 186 | 158.8 Ų | 158.8 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 152.5 | 164 | -97 | 179.7 | 175.2 | 176 | 0 | 111.4 | ||||
| 1038 | D | 26.1 | Very low | 27 | Very low | 140 Ų | 140 | 160.3 Ų | 160.3 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | 67.5 | 99.9 | 155.9 | -58.2 | -25.2 | 0 | 0 | 0 | 118.6 | ||||
| 1039 | K | 24.3 | Very low | 27 | Very low | 191 Ų | 191 | 157.5 Ų | 157.5 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | -178.3 | 143.5 | 119.9 | -103.5 | 167.9 | -175 | 178.4 | 0 | 113.1 | |||||
| 1040 | R | 27.5 | Very low | 27.3 | Very low | 234 Ų | 234 | 157.8 Ų | 157.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | 94.1 | 77 | 158.6 | -62.8 | 165.2 | -164.8 | -140.6 | 5.7 | 117 | ||||
| 1041 | Q | 22.4 | Very low | 27.6 | Very low | 188 Ų | 188 | 158 Ų | 158 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | -79.3 | 132.5 | 129.9 | -74.9 | 177 | -4.9 | 0 | 0 | 108.5 | |||||
| 1042 | Q | 23.7 | Very low | 27.8 | Very low | 176 Ų | 176 | 159.2 Ų | 159.2 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | 138.9 | 137.5 | 150.3 | -81.7 | 178.1 | -9.7 | 0 | 0 | 111.8 | ||||
| 1043 | E | 24.8 | Very low | 27.8 | Very low | 154 Ų | 154 | 155.1 Ų | 155.1 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | 77.5 | 103.8 | 160.7 | -73.9 | -179.2 | -164.5 | 0 | 0 | 118.2 | ||||
| 1044 | K | 27.1 | Very low | 27.9 | Very low | 185 Ų | 185 | 153.3 Ų | 153.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | 175.5 | 123 | 85 | -103.6 | 149.8 | -171.5 | -171.5 | 0 | 111.9 | |||||
| 1045 | A | 23.1 | Very low | 27.9 | Very low | 96 Ų | 96 | 152.7 Ų | 152.7 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -78.4 | 160.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1046 | A | 27.3 | Very low | 28 | Very low | 95 Ų | 95 | 153.7 Ų | 153.7 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | 81.9 | 99.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1047 | V | 32.9 | Very low | 27.9 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -143.3 | 103.3 | 131.2 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1048 | V | 28.1 | Very low | 28.1 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -97.4 | 122.1 | 153.7 | 168.2 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1049 | A | 28.9 | Very low | 28.3 | Very low | 67 Ų | 67 | 151.5 Ų | 151.5 | 55% | 0.554 | 80% | 0.803 | S | S | * | * | trans | 167.7 | 122.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1050 | D | 31.4 | Very low | 28.4 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 46.9 | 110.1 | 134.3 | -48.4 | -25.4 | 0 | 0 | 0 | 118.3 | ||||
| 1051 | D | 33.1 | Very low | 28.5 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -145.7 | 139.2 | 137.1 | -145.5 | -3.6 | 0 | 0 | 0 | 110.9 | ||||
| 1052 | D | 30.4 | Very low | 28.8 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -82.3 | 153.5 | -158.4 | -79 | -57.3 | 0 | 0 | 0 | 114.1 | ||||
| 1053 | G | 27.7 | Very low | 29 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | 31.5 | 107.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1054 | D | 31.9 | Very low | 29.2 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | -129.5 | 106.6 | 136.8 | -97.3 | -30.8 | 0 | 0 | 0 | 109.1 | D1056 | D1054-D1056 PolarHBondContact O-N 2.86Š| ||
| 1055 | N | 29.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -75 | 108.9 | 172.5 | -70.3 | -43.1 | 0 | 0 | 0 | 108.7 | ||||
| 1056 | D | 33.8 | Very low | 29.5 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -121.8 | 85 | 154.1 | -85.7 | -35.5 | 0 | 0 | 0 | 107.7 | D1054 | D1054-D1056 PolarHBondContact O-N 2.86Š| ||
| 1057 | E | 28.4 | Very low | 29.5 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | -66.3 | 160.3 | 168 | -74.3 | -175.9 | 146.4 | 0 | 0 | 111.6 | ||||
| 1058 | D | 28.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | 77.5 | 86.2 | 157.1 | -60.6 | -19.8 | 0 | 0 | 0 | 119.4 | ||||
| 1059 | K | 30.2 | Very low | 29.3 | Very low | 210 Ų | 210 | 139.1 Ų | 139.1 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | -146 | 70.8 | 115.4 | -71.9 | -158.3 | 178.2 | 161.8 | 0 | 111.4 | S1061 | K1059-S1061 PolarHBondContact O-N 3.34Å; K1059-S1061 VanDerWaalsContact O-N 3.1Å | |||
| 1060 | S | 26.4 | Very low | 29.5 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -70 | 92.2 | 159.7 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | S1062 | S1060-S1062 PolarHBondContact O-N 3.02Š| ||
| 1061 | S | 29.9 | Very low | 29.4 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -78.2 | 100.9 | 162.7 | 59.4 | 0 | 0 | 0 | 0 | 108.2 | K1059 D1063 | K1059-S1061 PolarHBondContact O-N 3.34Å; K1059-S1061 VanDerWaalsContact O-N 3.1Å; S1061-D1063 PolarHBondContact O-N 3.34Å | ||
| 1062 | S | 27.3 | Very low | 29.1 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -59.4 | 91.1 | 172.8 | 57 | 0 | 0 | 0 | 0 | 111.2 | S1060 S1064 | S1060-S1062 PolarHBondContact O-N 3.02Å; S1062-S1064 PolarHBondContact O-N 3.15Å; S1062-S1064 VanDerWaalsContact O-N 3.11Å | ||
| 1063 | D | 29.2 | Very low | 29 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -78.4 | 89.6 | 156.4 | -83.3 | -18.5 | 0 | 0 | 0 | 106.3 | S1061 D1065 | S1061-D1063 PolarHBondContact O-N 3.34Å; D1063-D1065 PolarHBondContact O-N 3.48Å; D1063-D1065 VanDerWaalsContact O-N 3.14Å | ||
| 1064 | S | 28.3 | Very low | 28.9 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 55% | 0.545 | 76% | 0.761 | S | S | . | * | trans | -52.6 | 114.5 | 173.6 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | S1062 Y1066 | S1062-S1064 PolarHBondContact O-N 3.15Å; S1062-S1064 VanDerWaalsContact O-N 3.11Å; S1064-Y1066 PolarHBondContact O-N 3.08Å | ||
| 1065 | D | 28.1 | Very low | 28.6 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -58.1 | 87.1 | 162.1 | -74.4 | -41.1 | 0 | 0 | 0 | 107.9 | D1063 E1067 | D1063-D1065 PolarHBondContact O-N 3.48Å; D1063-D1065 VanDerWaalsContact O-N 3.14Å; D1065-E1067 VanDerWaalsContact C-N 3.27Å; D1065-E1067 PolarHBondContact O-N 3Å | ||
| 1066 | Y | 29.1 | Very low | 28.6 | Very low | 203 Ų | 203 | 142.4 Ų | 142.4 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -68.1 | 96.3 | 162.2 | -90.2 | -85.4 | 0 | 0 | 0 | 106.5 | S1064 E1068 | S1064-Y1066 PolarHBondContact O-N 3.08Å; Y1066-E1068 PolarHBondContact O-N 3.11Å | ||
| 1067 | E | 25.9 | Very low | 28.2 | Very low | 190 Ų | 190 | 143 Ų | 143 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | trans | -60.5 | 80 | 157.7 | -71.3 | -172 | 153.1 | 0 | 0 | 108 | D1065 S1069 | D1065-E1067 VanDerWaalsContact C-N 3.27Å; D1065-E1067 PolarHBondContact O-N 3Å; E1067-S1069 PolarHBondContact O-N 3.32Å; E1067-S1069 VanDerWaalsContact O-N 3.12Å | ||
| 1068 | E | 30.2 | Very low | 28 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -67.7 | 108.2 | 163.3 | -93.9 | -176.3 | 161.7 | 0 | 0 | 107.7 | Y1066 | Y1066-E1068 PolarHBondContact O-N 3.11Š| ||
| 1069 | S | 26.9 | Very low | 27.9 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | trans | -36.4 | 136 | 170.2 | 50 | 0 | 0 | 0 | 0 | 112.8 | E1067 D1071 | E1067-S1069 PolarHBondContact O-N 3.32Å; E1067-S1069 VanDerWaalsContact O-N 3.12Å; S1069-D1071 PolarHBondContact O-N 3.49Å | ||
| 1070 | I | 32.9 | Very low | 27.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -63.8 | 10.7 | -170.5 | -74.6 | 168.7 | 0 | 0 | 0 | 115.2 | N1072 | I1070-N1072 PolarHBondContact O-N 3.39Š|
| 1071 | D | 29.9 | Very low | 27.7 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -91.4 | 9.2 | -173.9 | -68.5 | -25.7 | 0 | 0 | 0 | 115.9 | S1069 C1073 | S1069-D1071 PolarHBondContact O-N 3.49Å; D1071-C1073 PolarHBondContact O-N 2.92Å |
| 1072 | N | 25.9 | Very low | 27.5 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -86.8 | 24.1 | 167.2 | -79.4 | -21.9 | 0 | 0 | 0 | 113.6 | I1070 I1074 | I1070-N1072 PolarHBondContact O-N 3.39Å; N1072-I1074 PolarHBondContact O-N 3.44Å |
| 1073 | C | 28.8 | Very low | 27.5 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | trans | -68.7 | 90.9 | 155.5 | -76.3 | 0 | 0 | 0 | 0 | 107.6 | D1071 N1075 | D1071-C1073 PolarHBondContact O-N 2.92Å; C1073-N1075 PolarHBondContact O-N 3.37Å | ||
| 1074 | I | 26.3 | Very low | 27.3 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 65% | 0.651 | 74% | 0.74 | S | S | * | * | trans | -50 | 99 | 172 | -62.7 | 167 | 0 | 0 | 0 | 107.9 | N1072 F1076 | N1072-I1074 PolarHBondContact O-N 3.44Å; I1074-F1076 HydrophobicContact CG2-CD2 4.2Å; I1074-F1076 HydrophobicContact CG2-CE2 4.17Å; I1074-F1076 WeakPolarHBondContact O-CD2 3.45Å; I1074-F1076 PolarHBondContact O-N 3.44Å; I1074-F1076 VanDerWaalsContact O-N 3.11Å | ||
| 1075 | N | 25.9 | Very low | 27.2 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -69.3 | 104.4 | 165.5 | -79.2 | -32.1 | 0 | 0 | 0 | 106.6 | C1073 F1077 | C1073-N1075 PolarHBondContact O-N 3.37Å; N1075-F1077 HydrophobicContact CB-CE2 4.38Å; N1075-F1077 PolarHBondContact O-N 3.3Å; N1075-F1077 VanDerWaalsContact O-N 3.15Å | ||
| 1076 | F | 28.7 | Very low | 27.2 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 105.4 | 175.8 | -81.1 | -93.1 | 0 | 0 | 0 | 109.4 | I1074 | I1074-F1076 HydrophobicContact CG2-CD2 4.2Å; I1074-F1076 HydrophobicContact CG2-CE2 4.17Å; I1074-F1076 WeakPolarHBondContact O-CD2 3.45Å; I1074-F1076 PolarHBondContact O-N 3.44Å; I1074-F1076 VanDerWaalsContact O-N 3.11Å | ||
| 1077 | F | 24.5 | Very low | 27.2 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 123.8 | 153.3 | -70.4 | -80.6 | 0 | 0 | 0 | 107.4 | N1075 | N1075-F1077 HydrophobicContact CB-CE2 4.38Å; N1075-F1077 PolarHBondContact O-N 3.3Å; N1075-F1077 VanDerWaalsContact O-N 3.15Å |
| 1078 | P | 25.6 | Very low | 27.3 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.1 | 173.7 | 28.4 | -31.4 | 0 | 0 | 0 | 108.5 | D1080 | P1078-D1080 PolarHBondContact O-N 3.16Å; P1078-D1080 VanDerWaalsContact O-N 3.14Å |
| 1079 | P | 25.9 | Very low | 27.2 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 119.1 | -175.2 | 25.4 | -32 | 0 | 0 | 0 | 109.9 | L1081 | P1079-L1081 PolarHBondContact O-N 2.85Š|
| 1080 | D | 26.3 | Very low | 27.8 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -61.6 | 107.4 | 164.7 | -76.5 | -32.1 | 0 | 0 | 0 | 107.7 | P1078 N1082 | P1078-D1080 PolarHBondContact O-N 3.16Å; P1078-D1080 VanDerWaalsContact O-N 3.14Å; D1080-N1082 PolarHBondContact O-N 3.46Å | ||
| 1081 | L | 26.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 85 | 172.4 | -122.7 | 115 | 0 | 0 | 0 | 107.5 | P1079 L1083 | P1079-L1081 PolarHBondContact O-N 2.85Å; L1081-L1083 VanDerWaalsContact C-N 3.29Å; L1081-L1083 HydrophobicContact CD2-CD2 4.31Å; L1081-L1083 PolarHBondContact O-N 3.13Å | ||
| 1082 | N | 24 | Very low | 27.7 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | -66.6 | 94.4 | 165.8 | -81.3 | -33.8 | 0 | 0 | 0 | 107.9 | D1080 F1084 | D1080-N1082 PolarHBondContact O-N 3.46Å; N1082-F1084 VanDerWaalsContact C-N 3.26Å; N1082-F1084 HydrophobicContact CB-CD2 4.47Å; N1082-F1084 HydrophobicContact CB-CE2 4.15Å; N1082-F1084 WeakPolarHBondContact O-CD2 3.49Å; N1082-F1084 PolarHBondContact O-N 3.42Å | ||
| 1083 | L | 27 | Very low | 27.8 | Very low | 152 Ų | 152 | 139 Ų | 139 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -63.3 | 87.8 | 168.7 | -70.6 | 164.6 | 0 | 0 | 0 | 108 | L1081 P1085 | L1081-L1083 VanDerWaalsContact C-N 3.29Å; L1081-L1083 HydrophobicContact CD2-CD2 4.31Å; L1081-L1083 PolarHBondContact O-N 3.13Å; L1083-P1085 VanDerWaalsContact O-CD 3.29Å; L1083-P1085 WeakPolarHBondContact O-CD 3.28Å | ||
| 1084 | F | 26 | Very low | 27.8 | Very low | 170 Ų | 170 | 140 Ų | 140 | 75% | 0.746 | 76% | 0.761 | S | S | * | * | trans | -64.8 | 118.6 | 167.6 | -75.9 | -82.2 | 0 | 0 | 0 | 108.2 | N1082 L1086 | N1082-F1084 VanDerWaalsContact C-N 3.26Å; N1082-F1084 HydrophobicContact CB-CD2 4.47Å; N1082-F1084 HydrophobicContact CB-CE2 4.15Å; N1082-F1084 WeakPolarHBondContact O-CD2 3.49Å; N1082-F1084 PolarHBondContact O-N 3.42Å; F1084-L1086 PolarHBondContact O-N 3.35Å | ||
| 1085 | P | 25.8 | Very low | 27.8 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -71.8 | 101.4 | 172.3 | 28.9 | -28.7 | 0 | 0 | 0 | 107.4 | L1083 | L1083-P1085 VanDerWaalsContact O-CD 3.29Å; L1083-P1085 WeakPolarHBondContact O-CD 3.28Å | ||
| 1086 | L | 28.5 | Very low | 27.8 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -66.8 | 129.2 | 169.9 | -88.9 | 144.8 | 0 | 0 | 0 | 108.6 | F1084 L1088 | F1084-L1086 PolarHBondContact O-N 3.35Å; L1086-L1088 PolarHBondContact O-N 3.49Å | ||
| 1087 | P | 29.2 | Very low | 27.7 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | trans | -68.6 | 131.2 | -178.4 | -8.1 | 23.2 | 0 | 0 | 0 | 109.6 | D1089 | P1087-D1089 PolarHBondContact O-N 3.37Å; P1087-D1089 VanDerWaalsContact O-N 3.1Å | ||
| 1088 | L | 27.7 | Very low | 27.8 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -61.7 | 107.5 | 169 | -74.6 | 113.5 | 0 | 0 | 0 | 108.9 | L1086 P1090 | L1086-L1088 PolarHBondContact O-N 3.49Å; L1088-P1090 WeakPolarHBondContact O-CD 3.38Å | ||
| 1089 | D | 29.1 | Very low | 27.7 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -95.3 | 109.8 | 168.4 | -143.9 | -6.9 | 0 | 0 | 0 | 108.1 | P1087 D1091 | P1087-D1089 PolarHBondContact O-N 3.37Å; P1087-D1089 VanDerWaalsContact O-N 3.1Å; D1089-D1091 PolarHBondContact O-N 3.35Å | ||
| 1090 | P | 38 | Very low | 27.6 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | trans | -95.6 | 72.8 | -168.7 | 37 | -30.7 | 0 | 0 | 0 | 110.2 | L1088 | L1088-P1090 WeakPolarHBondContact O-CD 3.38Š| ||
| 1091 | D | 30.9 | Very low | 27.7 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -159.7 | 38.3 | 175 | -103.9 | -19.6 | 0 | 0 | 0 | 116.8 | D1089 | D1089-D1091 PolarHBondContact O-N 3.35Š| ||
| 1092 | L | 30.7 | Very low | 27.6 | Very low | 169 Ų | 169 | 149 Ų | 149 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -113.4 | 73.8 | 169.9 | -83.7 | 159.1 | 0 | 0 | 0 | 111.8 | ||||
| 1093 | S | 27.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 151.3 Ų | 151.3 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | -84.2 | 134 | 164.6 | 58.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1094 | V | 28.7 | Very low | 27.7 | Very low | 121 Ų | 121 | 155 Ų | 155 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 56.2 | 92.5 | 156.7 | -167.5 | 0 | 0 | 0 | 0 | 117.2 | Q1096 | V1094-Q1096 HydrophobicContact CG1-CG 4.22Š| ||
| 1095 | I | 26.9 | Very low | 27.8 | Very low | 155 Ų | 155 | 156.7 Ų | 156.7 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | -115.1 | 104.6 | 155.4 | -60.3 | 178.2 | 0 | 0 | 0 | 108.5 | ||||
| 1096 | Q | 27.1 | Very low | 28 | Very low | 158 Ų | 158 | 158.3 Ų | 158.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -66 | 146 | 174.1 | -71.7 | -179 | -13.3 | 0 | 0 | 111.7 | V1094 K1098 | V1094-Q1096 HydrophobicContact CG1-CG 4.22Å; Q1096-K1098 PolarHBondContact O-N 3.11Å | ||
| 1097 | P | 26 | Very low | 27.7 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -74.9 | 114 | -174 | 30.5 | -33.8 | 0 | 0 | 0 | 111.1 | R1099 | P1097-R1099 PolarHBondContact O-N 3.47Š| ||
| 1098 | K | 25.5 | Very low | 27.7 | Very low | 201 Ų | 201 | 161.2 Ų | 161.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.2 | 172.7 | -81.1 | 179.5 | 174.2 | 175 | 0 | 110.4 | Q1096 L1100 | Q1096-K1098 PolarHBondContact O-N 3.11Å; K1098-L1100 PolarHBondContact O-N 3.16Å |
| 1099 | R | 23.7 | Very low | 27.4 | Very low | 250 Ų | 250 | 156.9 Ų | 156.9 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 123.9 | 164.8 | -79 | 177 | 170.2 | 171.5 | -4.4 | 110.6 | P1097 | P1097-R1099 PolarHBondContact O-N 3.47Š|
| 1100 | L | 25.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 143.3 | 166.2 | -91.5 | 121.5 | 0 | 0 | 0 | 110 | K1098 | K1098-L1100 PolarHBondContact O-N 3.16Š|
| 1101 | P | 27.9 | Very low | 26.4 | Very low | 108 Ų | 108 | 159.1 Ų | 159.1 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 134.9 | -166.9 | 33.4 | -27 | 0 | 0 | 0 | 112.9 | K1103 | P1101-K1103 PolarHBondContact O-N 2.88Š|
| 1102 | D | 25.3 | Very low | 26.1 | Very low | 159 Ų | 159 | 157.8 Ų | 157.8 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 116.6 | 171.6 | -65.5 | -46.1 | 0 | 0 | 0 | 111.5 | ||
| 1103 | K | 26.7 | Very low | 25.6 | Very low | 174 Ų | 174 | 154.7 Ų | 154.7 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | -131.7 | 100.2 | 165.1 | -79.3 | -168.7 | 175.8 | -177.4 | 0 | 110.3 | P1101 F1105 | P1101-K1103 PolarHBondContact O-N 2.88Å; K1103-F1105 PolarHBondContact O-N 3.3Å | ||
| 1104 | Y | 26.2 | Very low | 25.3 | Very low | 231 Ų | 231 | 159.9 Ų | 159.9 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 5.7 | 107.6 | 146.4 | -71.3 | -93.6 | 0 | 0 | 0 | 115.8 | ||||
| 1105 | F | 28.5 | Very low | 25.1 | Very low | 204 Ų | 204 | 159.3 Ų | 159.3 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -106.2 | 107.6 | 160.8 | -92.2 | -86.4 | 0 | 0 | 0 | 108.9 | K1103 | K1103-F1105 PolarHBondContact O-N 3.3Š| ||
| 1106 | D | 28.6 | Very low | 24.8 | Very low | 159 Ų | 159 | 162.8 Ų | 162.8 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 126.1 | 171.2 | -102.3 | -28.2 | 0 | 0 | 0 | 110.5 | K1108 | D1106-K1108 PolarHBondContact O-N 3.49Š| ||
| 1107 | N | 23.7 | Very low | 24.7 | Very low | 162 Ų | 162 | 161.3 Ų | 161.3 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -68.7 | 104.3 | 173.5 | -79.3 | -29 | 0 | 0 | 0 | 110.9 | ||||
| 1108 | K | 27.4 | Very low | 24.5 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 74% | 0.735 | 81% | 0.808 | S | S | * | * | trans | -127.8 | 106.3 | 156.1 | -76.5 | -172 | 178.1 | 176.7 | 0 | 109.7 | D1106 Y1110 | D1106-K1108 PolarHBondContact O-N 3.49Å; K1108-Y1110 HydrophobicContact CB-CE2 4.1Å; K1108-Y1110 PolarHBondContact O-N 3.39Å | ||
| 1109 | G | 22.4 | Very low | 24.4 | Very low | 82 Ų | 82 | 157.6 Ų | 157.6 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -61.7 | 119.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1110 | Y | 24.7 | Very low | 24.4 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -116.4 | 112.9 | 164.5 | -77.9 | -81.8 | 0 | 0 | 0 | 108.2 | K1108 V1112 | K1108-Y1110 HydrophobicContact CB-CE2 4.1Å; K1108-Y1110 PolarHBondContact O-N 3.39Å; Y1110-V1112 PolarHBondContact O-N 2.77Å | ||
| 1111 | S | 21.9 | Very low | 24.3 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -66.1 | 104.8 | 168.2 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | S1113 | S1111-S1113 VanDerWaalsContact C-N 3.33Å; S1111-S1113 PolarHBondContact O-N 2.99Å | ||
| 1112 | V | 23.4 | Very low | 24.1 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | trans | -78.4 | 89.6 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 108 | Y1110 | Y1110-V1112 PolarHBondContact O-N 2.77Š| ||
| 1113 | S | 21.7 | Very low | 24 | Very low | 103 Ų | 103 | 158.7 Ų | 158.7 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -73.8 | 122.6 | 163 | 46.1 | 0 | 0 | 0 | 0 | 108.5 | S1111 P1115 | S1111-S1113 VanDerWaalsContact C-N 3.33Å; S1111-S1113 PolarHBondContact O-N 2.99Å; S1113-P1115 VanDerWaalsContact O-CD 3.28Å; S1113-P1115 WeakPolarHBondContact O-CD 3.22Å | ||
| 1114 | Y | 20.8 | Very low | 23.9 | Very low | 205 Ų | 205 | 159.3 Ų | 159.3 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -71.6 | 114.4 | -179.9 | -71.6 | -92.5 | 0 | 0 | 0 | 110.2 | Y1116 | Y1114-Y1116 PolarHBondContact O-N 3.04Š| ||
| 1115 | P | 24.1 | Very low | 23.7 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -85.9 | 113.7 | 173.6 | 30.9 | -22.2 | 0 | 0 | 0 | 108.6 | S1113 T1117 | S1113-P1115 VanDerWaalsContact O-CD 3.28Å; S1113-P1115 WeakPolarHBondContact O-CD 3.22Å; P1115-T1117 PolarHBondContact O-N 3.28Å; P1115-T1117 VanDerWaalsContact O-N 3.13Å | ||
| 1116 | Y | 20.8 | Very low | 23.4 | Very low | 229 Ų | 229 | 160.4 Ų | 160.4 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -50.6 | 115 | 161.8 | -85.3 | -95.1 | 0 | 0 | 0 | 109.3 | Y1114 | Y1114-Y1116 PolarHBondContact O-N 3.04Š| ||
| 1117 | T | 23.6 | Very low | 23.2 | Very low | 127 Ų | 127 | 162.1 Ų | 162.1 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | trans | -122 | 90.3 | 166.2 | 46.6 | 0 | 0 | 0 | 0 | 108.7 | P1115 N1119 | P1115-T1117 PolarHBondContact O-N 3.28Å; P1115-T1117 VanDerWaalsContact O-N 3.13Å; T1117-N1119 PolarHBondContact O-N 3.37Å | ||
| 1118 | S | 22.2 | Very low | 23.3 | Very low | 103 Ų | 103 | 163.3 Ų | 163.3 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | trans | -60.9 | 116.6 | 148.8 | 41.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1119 | N | 24.5 | Very low | 23.1 | Very low | 148 Ų | 148 | 162.7 Ų | 162.7 | 79% | 0.791 | 82% | 0.819 | S | S | * | * | trans | -173 | 126.4 | 136.1 | -92.9 | -23.7 | 0 | 0 | 0 | 111.7 | T1117 T1121 | T1117-N1119 PolarHBondContact O-N 3.37Å; N1119-T1121 PolarHBondContact O-N 3.4Å | ||
| 1120 | S | 22.3 | Very low | 23.2 | Very low | 113 Ų | 113 | 165 Ų | 165 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -49.5 | 121 | 165.9 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1121 | T | 24.5 | Very low | 23.2 | Very low | 125 Ų | 125 | 162.1 Ų | 162.1 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | trans | -138.4 | 114.8 | 154.8 | 41.1 | 0 | 0 | 0 | 0 | 109.8 | N1119 R1123 | N1119-T1121 PolarHBondContact O-N 3.4Å; T1121-R1123 PolarHBondContact O-N 2.67Å; T1121-R1123 VanDerWaalsContact O-N 3.1Å | ||
| 1122 | K | 23.8 | Very low | 23.3 | Very low | 219 Ų | 219 | 159.7 Ų | 159.7 | 95% | 0.952 | 81% | 0.813 | S | S | * | * | trans | -46.2 | 111.5 | 163.2 | -74.4 | 171 | 172.2 | 173.5 | 0 | 108.6 | ||||
| 1123 | R | 22 | Very low | 23.3 | Very low | 246 Ų | 246 | 163.2 Ų | 163.2 | 93% | 0.928 | 82% | 0.822 | S | S | * | * | trans | -109 | 116 | 171.9 | -138.8 | 174 | -176.8 | 178.8 | 1.5 | 109.9 | T1121 | T1121-R1123 PolarHBondContact O-N 2.67Å; T1121-R1123 VanDerWaalsContact O-N 3.1Å | ||
| 1124 | Q | 24.5 | Very low | 23.4 | Very low | 187 Ų | 187 | 166.7 Ų | 166.7 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -59.4 | 146.7 | -173.2 | -72.1 | 164.2 | -36.3 | 0 | 0 | 113.2 | R1126 | Q1124-R1126 PolarHBondContact O-N 3.08Å; Q1124-R1126 VanDerWaalsContact O-N 3.16Å | ||
| 1125 | K | 22.8 | Very low | 23.6 | Very low | 208 Ų | 208 | 163.1 Ų | 163.1 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | trans | -40.6 | 110.1 | 167.9 | -70.3 | 175.6 | 173.1 | 179 | 0 | 111.6 | K1127 | K1125-K1127 PolarHBondContact O-N 3.01Š| ||
| 1126 | R | 21.8 | Very low | 23.4 | Very low | 250 Ų | 250 | 167.6 Ų | 167.6 | 94% | 0.943 | 84% | 0.839 | S | S | * | * | trans | -80.4 | 110.4 | 162.3 | -116.1 | 177.3 | 177.1 | 175 | -2.4 | 107.7 | Q1124 Q1128 | Q1124-R1126 PolarHBondContact O-N 3.08Å; Q1124-R1126 VanDerWaalsContact O-N 3.16Å; R1126-Q1128 PolarHBondContact O-N 2.94Å | ||
| 1127 | K | 24.7 | Very low | 23.6 | Very low | 196 Ų | 196 | 162 Ų | 162 | 85% | 0.852 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 118.5 | 174.2 | -72.9 | 177 | 173.1 | -179.9 | 0 | 109.6 | K1125 I1129 | K1125-K1127 PolarHBondContact O-N 3.01Å; K1127-I1129 PolarHBondContact O-N 3.13Å |
| 1128 | Q | 25.2 | Very low | 23.6 | Very low | 187 Ų | 187 | 165.3 Ų | 165.3 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 124.6 | 164.1 | -93 | 171 | -21.7 | 0 | 0 | 108.3 | R1126 T1130 | R1126-Q1128 PolarHBondContact O-N 2.94Å; Q1128-T1130 PolarHBondContact O-N 2.78Å |
| 1129 | I | 24.6 | Very low | 23.7 | Very low | 155 Ų | 155 | 169.3 Ų | 169.3 | 80% | 0.795 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 117.2 | 175 | -68.2 | 167.4 | 0 | 0 | 0 | 107.3 | K1127 V1131 | K1127-I1129 PolarHBondContact O-N 3.13Å; I1129-V1131 HydrophobicContact CG2-CG2 4.49Å |
| 1130 | T | 23.2 | Very low | 23.9 | Very low | 131 Ų | 131 | 169.4 Ų | 169.4 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.3 | 174.9 | -43.4 | 0 | 0 | 0 | 0 | 109.5 | Q1128 | Q1128-T1130 PolarHBondContact O-N 2.78Š|
| 1131 | V | 25.1 | Very low | 24.4 | Very low | 133 Ų | 133 | 169.6 Ų | 169.6 | 81% | 0.806 | 84% | 0.843 | S | S | * | * | trans | -121.9 | 117 | 168.4 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | I1129 | I1129-V1131 HydrophobicContact CG2-CG2 4.49Š| ||
| 1132 | G | 24.8 | Very low | 24.3 | Very low | 64 Ų | 64 | 172.9 Ų | 172.9 | 66% | 0.66 | 85% | 0.85 | S | S | * | * | trans | 81.3 | 84.2 | 153 | 0 | 0 | 0 | 0 | 0 | 117.2 | L1134 | G1132-L1134 PolarHBondContact O-N 3.32Š| ||
| 1133 | Q | 22.6 | Very low | 24.4 | Very low | 191 Ų | 191 | 166.9 Ų | 166.9 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -58 | 113.5 | 155.3 | -76.7 | 172 | -44.4 | 0 | 0 | 109.3 | ||||
| 1134 | L | 23.4 | Very low | 24.4 | Very low | 175 Ų | 175 | 162.5 Ų | 162.5 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -88.3 | 124.1 | 157.2 | -119.2 | 98 | 0 | 0 | 0 | 108.3 | G1132 | G1132-L1134 PolarHBondContact O-N 3.32Š| ||
| 1135 | V | 24.8 | Very low | 24.5 | Very low | 131 Ų | 131 | 162.5 Ų | 162.5 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -61.7 | 129 | -170.5 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | S1137 | V1135-S1137 PolarHBondContact O-N 3.47Š| ||
| 1136 | K | 20.7 | Very low | 24.4 | Very low | 201 Ų | 201 | 157 Ų | 157 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -69 | 109.8 | 167.2 | -74.4 | 178.8 | 173.5 | -177.7 | 0 | 109.3 | ||||
| 1137 | S | 23.7 | Very low | 24.6 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -86.5 | 109.6 | 157 | 51 | 0 | 0 | 0 | 0 | 108.3 | V1135 | V1135-S1137 PolarHBondContact O-N 3.47Š| ||
| 1138 | K | 23.9 | Very low | 24.5 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -70.7 | 119 | 161.2 | -78.9 | 178.3 | 168.8 | -173.6 | 0 | 107.3 | ||||
| 1139 | E | 25.5 | Very low | 24.5 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -133.7 | 124.4 | 154.2 | -73.8 | -172.1 | 163.4 | 0 | 0 | 107.7 | ||||
| 1140 | D | 27.5 | Very low | 24.4 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -69.1 | 155.5 | -173.1 | -73.5 | -50.9 | 0 | 0 | 0 | 112.1 | ||||
| 1141 | P | 33.2 | Very low | 24.4 | Very low | 116 Ų | 116 | 143 Ų | 143 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | -90.3 | 112.4 | -175.3 | 33.8 | -26.7 | 0 | 0 | 0 | 110.3 | ||||
| 1142 | E | 22.8 | Very low | 24.3 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | -169.6 | 92.1 | 160.2 | -111.7 | 172.7 | -149 | 0 | 0 | 110.3 | ||||
| 1143 | S | 24.9 | Very low | 24.2 | Very low | 93 Ų | 93 | 147 Ų | 147 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -154.3 | 92.3 | 152.1 | 67.7 | 0 | 0 | 0 | 0 | 109.9 | Y1145 | S1143-Y1145 PolarHBondContact O-N 2.81Å; S1143-Y1145 VanDerWaalsContact O-N 3.14Å | ||
| 1144 | I | 22.7 | Very low | 24.3 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -50.1 | 108.7 | 158.3 | -64 | 160.5 | 0 | 0 | 0 | 107.7 | ||||
| 1145 | Y | 25.5 | Very low | 24.1 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 74% | 0.737 | 77% | 0.771 | S | S | * | * | trans | -109.9 | 79.6 | 162.2 | -89 | -78.5 | 0 | 0 | 0 | 109.1 | S1143 N1147 | S1143-Y1145 PolarHBondContact O-N 2.81Å; S1143-Y1145 VanDerWaalsContact O-N 3.14Å; Y1145-N1147 PolarHBondContact O-N 3.14Å; Y1145-N1147 VanDerWaalsContact O-N 3.16Å | ||
| 1146 | S | 21.4 | Very low | 24.1 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | trans | -65.4 | 93 | 153.6 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1147 | N | 25.4 | Very low | 24.3 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -102.3 | 89.6 | 161.2 | -84.5 | -16.5 | 0 | 0 | 0 | 108.4 | Y1145 V1149 | Y1145-N1147 PolarHBondContact O-N 3.14Å; Y1145-N1147 VanDerWaalsContact O-N 3.16Å; N1147-V1149 PolarHBondContact O-N 3.39Å; N1147-V1149 VanDerWaalsContact O-N 3.08Å | ||
| 1148 | C | 22.9 | Very low | 24.2 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -50 | 105.7 | 156.2 | -71 | 0 | 0 | 0 | 0 | 109.1 | L1150 | C1148-L1150 PolarHBondContact O-N 3.33Š| ||
| 1149 | V | 25.6 | Very low | 24.3 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | trans | -85.1 | 100.6 | 159.8 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | N1147 | N1147-V1149 PolarHBondContact O-N 3.39Å; N1147-V1149 VanDerWaalsContact O-N 3.08Å | ||
| 1150 | L | 23.5 | Very low | 24.2 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | -50.1 | 132.6 | 174.5 | -83 | 144.9 | 0 | 0 | 0 | 111.6 | C1148 S1152 | C1148-L1150 PolarHBondContact O-N 3.33Å; L1150-S1152 PolarHBondContact O-N 3.15Å; L1150-S1152 PolarHBondContact O-OG 3.38Å | ||
| 1151 | S | 22.9 | Very low | 24.2 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -24.8 | 100.2 | 153.1 | 49.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1152 | S | 23.3 | Very low | 23.8 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -97.7 | 93 | 162.1 | -54.5 | 0 | 0 | 0 | 0 | 106.4 | L1150 I1154 | L1150-S1152 PolarHBondContact O-N 3.15Å; L1150-S1152 PolarHBondContact O-OG 3.38Å; S1152-I1154 PolarHBondContact O-N 3.11Å | ||
| 1153 | E | 22.7 | Very low | 24 | Very low | 183 Ų | 183 | 136.7 Ų | 136.7 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | -58.3 | 88 | 165.8 | -73.4 | 178 | 147.7 | 0 | 0 | 108.8 | M1155 | E1153-M1155 VanDerWaalsContact C-N 3.26Å; E1153-M1155 PolarHBondContact O-N 2.67Å; E1153-M1155 VanDerWaalsContact O-N 3.11Å | ||
| 1154 | I | 23 | Very low | 24 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 86.9 | 165.5 | -65.6 | 176.9 | 0 | 0 | 0 | 106 | S1152 L1156 | S1152-I1154 PolarHBondContact O-N 3.11Å; I1154-L1156 VanDerWaalsContact C-N 3.28Å; I1154-L1156 HydrophobicContact CG2-CD1 3.66Å; I1154-L1156 HydrophobicContact CG2-CG 3.6Å; I1154-L1156 PolarHBondContact O-N 2.84Å | ||
| 1155 | M | 21.2 | Very low | 24.2 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | trans | -59.7 | 92.1 | 158.8 | -84.4 | -132.5 | -50.8 | 0 | 0 | 108.7 | E1153 N1157 | E1153-M1155 VanDerWaalsContact C-N 3.26Å; E1153-M1155 PolarHBondContact O-N 2.67Å; E1153-M1155 VanDerWaalsContact O-N 3.11Å; M1155-N1157 PolarHBondContact O-N 3.45Å | ||
| 1156 | L | 24 | Very low | 24.4 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -90.8 | 93.3 | 162.9 | -81.1 | 161.4 | 0 | 0 | 0 | 108.3 | I1154 L1158 | I1154-L1156 VanDerWaalsContact C-N 3.28Å; I1154-L1156 HydrophobicContact CG2-CD1 3.66Å; I1154-L1156 HydrophobicContact CG2-CG 3.6Å; I1154-L1156 PolarHBondContact O-N 2.84Å; L1156-L1158 PolarHBondContact O-N 3.46Å | ||
| 1157 | N | 24.3 | Very low | 24.6 | Very low | 132 Ų | 132 | 149 Ų | 149 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -41.7 | 122.8 | 162 | -84.7 | -38.8 | 0 | 0 | 0 | 110.4 | M1155 P1159 | M1155-N1157 PolarHBondContact O-N 3.45Å; N1157-P1159 WeakPolarHBondContact O-CD 3.21Å | ||
| 1158 | L | 22 | Very low | 24.7 | Very low | 142 Ų | 142 | 150.5 Ų | 150.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -50.1 | 133.6 | 166.2 | -82.5 | 81 | 0 | 0 | 0 | 110.7 | L1156 | L1156-L1158 PolarHBondContact O-N 3.46Š| ||
| 1159 | P | 25.4 | Very low | 24.7 | Very low | 110 Ų | 110 | 156 Ų | 156 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -104.2 | 103.5 | 142.5 | 28.2 | -13 | 0 | 0 | 0 | 107.9 | N1157 K1161 | N1157-P1159 WeakPolarHBondContact O-CD 3.21Å; P1159-K1161 VanDerWaalsContact C-N 3.33Å; P1159-K1161 PolarHBondContact O-N 2.9Å | ||
| 1160 | N | 24.4 | Very low | 24.8 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -55.7 | 98.8 | 156.4 | -81.5 | -26.1 | 0 | 0 | 0 | 108.2 | ||||
| 1161 | K | 26.6 | Very low | 24.8 | Very low | 177 Ų | 177 | 154.9 Ų | 154.9 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -132.5 | 96 | 164.2 | -86.4 | -171.3 | 174.1 | 179.9 | 0 | 109 | P1159 V1163 | P1159-K1161 VanDerWaalsContact C-N 3.33Å; P1159-K1161 PolarHBondContact O-N 2.9Å; K1161-V1163 VanDerWaalsContact C-N 3.31Å; K1161-V1163 HydrophobicContact CB-CG2 4.17Å; K1161-V1163 PolarHBondContact O-N 3.26Å | ||
| 1162 | H | 25.8 | Very low | 24.9 | Very low | 190 Ų | 190 | 159.1 Ų | 159.1 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | trans | -49.4 | 96.7 | 154 | -73.8 | -88.9 | 0 | 0 | 0 | 108.7 | ||||
| 1163 | V | 26.5 | Very low | 25 | Very low | 114 Ų | 114 | 159.7 Ų | 159.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -115.9 | 65.7 | 165.7 | -171.3 | 0 | 0 | 0 | 0 | 106.7 | K1161 | K1161-V1163 VanDerWaalsContact C-N 3.31Å; K1161-V1163 HydrophobicContact CB-CG2 4.17Å; K1161-V1163 PolarHBondContact O-N 3.26Å | ||
| 1164 | Y | 24.8 | Very low | 25 | Very low | 231 Ų | 231 | 160.7 Ų | 160.7 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -133.6 | 76.2 | 165.1 | -92.9 | -80 | 0 | 0 | 0 | 105.8 | ||||
| 1165 | E | 27.3 | Very low | 25.1 | Very low | 170 Ų | 170 | 162.4 Ų | 162.4 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -159.8 | -10.4 | 157.8 | -116.4 | 177.2 | -156.1 | 0 | 0 | 116.3 | Y1167 | E1165-Y1167 PolarHBondContact O-N 2.98Š|
| 1166 | D | 29 | Very low | 25.2 | Very low | 156 Ų | 156 | 160 Ų | 160 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 12.1 | -175.1 | -79.5 | -22.8 | 0 | 0 | 0 | 117.1 | ||
| 1167 | Y | 26 | Very low | 25.2 | Very low | 226 Ų | 226 | 161.6 Ų | 161.6 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 10.4 | 172.9 | -92.2 | -80.6 | 0 | 0 | 0 | 115.3 | E1165 | E1165-Y1167 PolarHBondContact O-N 2.98Š|
| 1168 | L | 26.6 | Very low | 25.1 | Very low | 163 Ų | 163 | 163.1 Ų | 163.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -106 | 22.5 | 174.7 | -73.9 | 175.9 | 0 | 0 | 0 | 114.7 | ||
| 1169 | R | 24.7 | Very low | 25.1 | Very low | 229 Ų | 229 | 162.2 Ų | 162.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -134.1 | 74.7 | 169 | -78.5 | -174.3 | 176.5 | 151.7 | -0.3 | 111.8 | ||||
| 1170 | T | 26.1 | Very low | 25 | Very low | 106 Ų | 106 | 162 Ų | 162 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -120.8 | 99.9 | 149.6 | 49.3 | 0 | 0 | 0 | 0 | 106.9 | F1172 | T1170-F1172 PolarHBondContact O-N 2.86Š| ||
| 1171 | D | 24.5 | Very low | 24.8 | Very low | 147 Ų | 147 | 162.2 Ų | 162.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -52.1 | 102.7 | 170.6 | -72.1 | -47.4 | 0 | 0 | 0 | 109 | T1173 | D1171-T1173 PolarHBondContact O-N 2.71Š| ||
| 1172 | F | 25.1 | Very low | 24.6 | Very low | 193 Ų | 193 | 163.3 Ų | 163.3 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -69.2 | 86.6 | 166.2 | -80.9 | -83 | 0 | 0 | 0 | 107.7 | T1170 K1174 | T1170-F1172 PolarHBondContact O-N 2.86Å; F1172-K1174 PolarHBondContact O-N 3.09Å | ||
| 1173 | T | 25.8 | Very low | 24.4 | Very low | 112 Ų | 112 | 164.2 Ų | 164.2 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -55.7 | 108.3 | 164.5 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | D1171 H1175 | D1171-T1173 PolarHBondContact O-N 2.71Å; T1173-H1175 PolarHBondContact O-N 3.31Å | ||
| 1174 | K | 22.4 | Very low | 24.2 | Very low | 203 Ų | 203 | 166 Ų | 166 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -52.8 | 95.4 | 169.2 | -78.2 | 176.1 | 173.2 | 176.2 | 0 | 109.4 | F1172 S1176 | F1172-K1174 PolarHBondContact O-N 3.09Å; K1174-S1176 PolarHBondContact O-N 3.21Å | ||
| 1175 | H | 24.7 | Very low | 24.1 | Very low | 167 Ų | 167 | 161.9 Ų | 161.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -75.7 | 100.9 | 156.2 | -89.3 | -70.1 | 0 | 0 | 0 | 107.5 | T1173 M1177 | T1173-H1175 PolarHBondContact O-N 3.31Å; H1175-M1177 PolarHBondContact O-N 3.27Å | ||
| 1176 | S | 23.7 | Very low | 23.8 | Very low | 106 Ų | 106 | 161 Ų | 161 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -60.9 | 95.7 | 164.9 | 53.4 | 0 | 0 | 0 | 0 | 108.6 | K1174 Q1178 | K1174-S1176 PolarHBondContact O-N 3.21Å; S1176-Q1178 PolarHBondContact O-N 3.07Å | ||
| 1177 | M | 22.7 | Very low | 23.5 | Very low | 182 Ų | 182 | 159.8 Ų | 159.8 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 106.4 | 165.1 | -79.1 | -136.5 | 141.8 | 0 | 0 | 108.1 | H1175 T1179 | H1175-M1177 PolarHBondContact O-N 3.27Å; M1177-T1179 PolarHBondContact O-N 2.99Å | ||
| 1178 | Q | 22.9 | Very low | 23.4 | Very low | 165 Ų | 165 | 157.8 Ų | 157.8 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | -56.1 | 116 | 168.3 | -79.3 | 169.2 | -42.3 | 0 | 0 | 108.8 | S1176 D1180 | S1176-Q1178 PolarHBondContact O-N 3.07Å; Q1178-D1180 VanDerWaalsContact C-N 3.29Å; Q1178-D1180 PolarHBondContact O-N 3.3Å; Q1178-D1180 VanDerWaalsContact O-N 3.08Å | ||
| 1179 | T | 22.1 | Very low | 23.2 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | trans | -75 | 83.7 | 167.3 | 49.4 | 0 | 0 | 0 | 0 | 108.2 | M1177 N1181 | M1177-T1179 PolarHBondContact O-N 2.99Å; T1179-N1181 PolarHBondContact O-N 3.48Å | ||
| 1180 | D | 22.9 | Very low | 23.3 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 57% | 0.572 | 77% | 0.774 | S | S | * | * | trans | -77 | 107.4 | 169.9 | -78.6 | -19.4 | 0 | 0 | 0 | 109.1 | Q1178 Y1182 | Q1178-D1180 VanDerWaalsContact C-N 3.29Å; Q1178-D1180 PolarHBondContact O-N 3.3Å; Q1178-D1180 VanDerWaalsContact O-N 3.08Å; D1180-Y1182 HydrophobicContact CB-CD2 4.14Å; D1180-Y1182 HydrophobicContact CB-CE2 3.74Å; D1180-Y1182 WeakPolarHBondContact O-CD2 3.23Å; D1180-Y1182 PolarHBondContact O-N 3.42Å | ||
| 1181 | N | 21.6 | Very low | 23.2 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -64.4 | 93.8 | 174.2 | -70.8 | -41.8 | 0 | 0 | 0 | 110.3 | T1179 Y1183 | T1179-N1181 PolarHBondContact O-N 3.48Å; N1181-Y1183 PolarHBondContact O-N 3.44Å | ||
| 1182 | Y | 21.8 | Very low | 23.3 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -89.2 | 103.5 | 167.6 | -78 | -83 | 0 | 0 | 0 | 110.2 | D1180 I1184 | D1180-Y1182 HydrophobicContact CB-CD2 4.14Å; D1180-Y1182 HydrophobicContact CB-CE2 3.74Å; D1180-Y1182 WeakPolarHBondContact O-CD2 3.23Å; D1180-Y1182 PolarHBondContact O-N 3.42Å; Y1182-I1184 PolarHBondContact O-N 3.27Å | ||
| 1183 | Y | 21.8 | Very low | 23.3 | Very low | 210 Ų | 210 | 147 Ų | 147 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -61 | 112.8 | 165.3 | -76.5 | -91.8 | 0 | 0 | 0 | 109.5 | N1181 N1185 | N1181-Y1183 PolarHBondContact O-N 3.44Å; Y1183-N1185 PolarHBondContact O-N 2.86Å; Y1183-N1185 VanDerWaalsContact O-N 3.1Å | ||
| 1184 | I | 21.8 | Very low | 23.4 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -78 | 94.9 | 171 | -61.3 | 174.7 | 0 | 0 | 0 | 107.6 | Y1182 N1186 | Y1182-I1184 PolarHBondContact O-N 3.27Å; I1184-N1186 PolarHBondContact O-N 2.9Å | ||
| 1185 | N | 22.1 | Very low | 24 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -73 | 113.6 | 163.7 | -88.7 | -23.8 | 0 | 0 | 0 | 108.8 | Y1183 T1187 | Y1183-N1185 PolarHBondContact O-N 2.86Å; Y1183-N1185 VanDerWaalsContact O-N 3.1Å; N1185-T1187 PolarHBondContact O-N 3.19Å | ||
| 1186 | N | 20.8 | Very low | 24.4 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -64.5 | 93.8 | 174 | -81.8 | -23.6 | 0 | 0 | 0 | 111.5 | I1184 | I1184-N1186 PolarHBondContact O-N 2.9Š| ||
| 1187 | T | 23.2 | Very low | 25.1 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -144.1 | 83.3 | 154.8 | 49.5 | 0 | 0 | 0 | 0 | 109.4 | N1185 | N1185-T1187 PolarHBondContact O-N 3.19Š| ||
| 1188 | L | 24.4 | Very low | 25.8 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 97% | 0.969 | 77% | 0.771 | S | S | * | * | trans | -96.2 | 104.1 | 166.7 | -93 | 157.2 | 0 | 0 | 0 | 108.8 | ||||
| 1189 | S | 22.6 | Very low | 26.8 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -112.8 | 135.1 | 162.4 | 49.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 1190 | S | 26.7 | Very low | 27.7 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | 60.1 | 98.4 | 159.3 | 56 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1191 | S | 24.1 | Very low | 28.5 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | 20.1 | 107.9 | 131.4 | 61.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1192 | S | 26.1 | Very low | 29.8 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | -142.2 | 123 | 149.2 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1193 | L | 25.8 | Very low | 30.9 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 97% | 0.969 | 72% | 0.724 | S | S | * | * | trans | -75.3 | 122.5 | 178 | -77.6 | 115.6 | 0 | 0 | 0 | 109.6 | ||||
| 1194 | L | 27.8 | Very low | 31.7 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | trans | -114 | 150.1 | 172.3 | -89.8 | 140.1 | 0 | 0 | 0 | 110.9 | ||||
| 1195 | P | 34.5 | Very low | 32.7 | Very low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 152.8 | -157.4 | 35.1 | -34.9 | 0 | 0 | 0 | 114.1 | ||
| 1196 | I | 33.7 | Very low | 33.9 | Very low | 161 Ų | 161 | 122 Ų | 122 | 83% | 0.826 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126 | -171.3 | -60.3 | 166.8 | 0 | 0 | 0 | 111.2 | ||
| 1197 | D | 37.7 | Very low | 34.7 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 56% | 0.556 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 140 | 177.8 | -172.1 | 13.5 | 0 | 0 | 0 | 112.2 | T1199 S1200 | D1197-T1199 VanDerWaalsContact C-N 3.28Å; D1197-T1199 PolarHBondContact O-N 3.26Å; D1197-T1199 PolarHBondContact OD2-OG1 2.79Å; D1197-S1200 PolarHBondContact O-N 3.46Å |
| 1198 | K | 37.5 | Very low | 35.5 | Very low | 168 Ų | 168 | 119.2 Ų | 119.2 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.9 | -30.1 | -175.5 | -97.4 | -179.8 | 171.7 | 179.9 | 0 | 113 | S1200 L1201 D1202 | K1198-S1200 VanDerWaalsContact C-N 3.3Å; K1198-S1200 PolarHBondContact O-N 3.02Å; K1198-L1201 WeakPolarHBondContact O-CB 3.43Å; K1198-L1201 PolarHBondContact O-N 3.03Å; K1198-L1201 VanDerWaalsContact O-N 3.09Å; K1198-D1202 PolarHBondContact O-N 3.3Å |
| 1199 | T | 44.2 | Very low | 36.2 | Very low | 75 Ų | 75 | 117.7 Ų | 117.7 | 46% | 0.46 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -58.6 | -40.2 | 179.7 | 45.4 | 0 | 0 | 0 | 0 | 112.4 | D1197 L1201 D1202 I1203 | D1197-T1199 VanDerWaalsContact C-N 3.28Å; D1197-T1199 PolarHBondContact O-N 3.26Å; D1197-T1199 PolarHBondContact OD2-OG1 2.79Å; T1199-L1201 VanDerWaalsContact C-N 3.28Å; T1199-L1201 PolarHBondContact O-N 3.48Å; T1199-D1202 PolarHBondContact O-N 3.13Å; T1199-I1203 WeakPolarHBondContact O-CG1 3.48Å; T1199-I1203 PolarHBondContact O-N 3.16Å |
| 1200 | S | 40.5 | Very low | 37.1 | Very low | 74 Ų | 74 | 120.9 Ų | 120.9 | 52% | 0.517 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.6 | -30.9 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 112.7 | D1197 K1198 Y1204 | D1197-S1200 PolarHBondContact O-N 3.46Å; K1198-S1200 VanDerWaalsContact C-N 3.3Å; K1198-S1200 PolarHBondContact O-N 3.02Å; S1200-Y1204 PolarHBondContact O-N 3.04Å |
| 1201 | L | 40.9 | Very low | 37.3 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 53% | 0.534 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73 | -38 | 177.6 | -165 | 70.2 | 0 | 0 | 0 | 111.6 | K1198 T1199 Y1204 N1205 | K1198-L1201 WeakPolarHBondContact O-CB 3.43Å; K1198-L1201 PolarHBondContact O-N 3.03Å; K1198-L1201 VanDerWaalsContact O-N 3.09Å; T1199-L1201 VanDerWaalsContact C-N 3.28Å; T1199-L1201 PolarHBondContact O-N 3.48Å; L1201-Y1204 PolarHBondContact O-N 3.11Å; L1201-N1205 VanDerWaalsContact O-CG 3.31Å; L1201-N1205 PolarHBondContact O-N 2.92Å; L1201-N1205 PolarHBondContact O-ND2 2.82Å |
| 1202 | D | 47.1 | Very low | 37.7 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 51% | 0.513 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.4 | -37.8 | 179 | -72.6 | -21 | 0 | 0 | 0 | 112.2 | K1198 T1199 Y1204 N1205 N1206 | K1198-D1202 PolarHBondContact O-N 3.3Å; T1199-D1202 PolarHBondContact O-N 3.13Å; D1202-Y1204 VanDerWaalsContact C-N 3.3Å; D1202-Y1204 PolarHBondContact O-N 2.73Å; D1202-N1205 PolarHBondContact O-N 3.3Å; D1202-N1206 PolarHBondContact O-N 2.84Å; D1202-N1206 PolarHBondContact O-ND2 3.08Å |
| 1203 | I | 46.2 | Very low | 38.1 | Very low | 122 Ų | 122 | 123 Ų | 123 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.7 | -41.9 | 174.1 | -65.6 | 167.6 | 0 | 0 | 0 | 110.5 | T1199 N1206 Y1207 | T1199-I1203 WeakPolarHBondContact O-CG1 3.48Å; T1199-I1203 PolarHBondContact O-N 3.16Å; I1203-N1206 PolarHBondContact O-N 3.12Å; I1203-Y1207 PolarHBondContact O-N 3.42Å; I1203-Y1207 VanDerWaalsContact O-N 3.1Å |
| 1204 | Y | 37.5 | Very low | 38.4 | Very low | 136 Ų | 136 | 116.9 Ų | 116.9 | 53% | 0.533 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.2 | -43.8 | 176.5 | -178.8 | -99.6 | 0 | 0 | 0 | 112.1 | S1200 L1201 D1202 N1206 Y1207 V1208 | S1200-Y1204 PolarHBondContact O-N 3.04Å; L1201-Y1204 PolarHBondContact O-N 3.11Å; D1202-Y1204 VanDerWaalsContact C-N 3.3Å; D1202-Y1204 PolarHBondContact O-N 2.73Å; Y1204-N1206 VanDerWaalsContact C-N 3.33Å; Y1204-N1206 PolarHBondContact O-N 3.21Å; Y1204-Y1207 PolarHBondContact O-N 3.19Å; Y1204-Y1207 VanDerWaalsContact O-N 3.16Å; Y1204-V1208 HydrophobicContact CD1-CG2 4.15Å; Y1204-V1208 HydrophobicContact CE1-CG2 3.71Å; Y1204-V1208 HydrophobicContact CE2-CG2 4.18Å; Y1204-V1208 WeakPolarHBondContact O-CG2 3.26Å; Y1204-V1208 PolarHBondContact O-N 3.16Å |
| 1205 | N | 43.3 | Very low | 38.6 | Very low | 77 Ų | 77 | 118 Ų | 118 | 41% | 0.412 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.2 | -38.6 | 178.5 | -72.7 | -27.5 | 0 | 0 | 0 | 112.4 | L1201 D1202 Y1207 V1208 Q1209 | L1201-N1205 VanDerWaalsContact O-CG 3.31Å; L1201-N1205 PolarHBondContact O-N 2.92Å; L1201-N1205 PolarHBondContact O-ND2 2.82Å; D1202-N1205 PolarHBondContact O-N 3.3Å; N1205-Y1207 VanDerWaalsContact C-N 3.35Å; N1205-V1208 PolarHBondContact O-N 3.29Å; N1205-Q1209 PolarHBondContact O-N 3.5Å |
| 1206 | N | 47 | Very low | 38.4 | Very low | 102 Ų | 102 | 117.4 Ų | 117.4 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.5 | -39.3 | 173.8 | -79.1 | -28.9 | 0 | 0 | 0 | 112.1 | D1202 I1203 Y1204 Q1209 M1210 | D1202-N1206 PolarHBondContact O-N 2.84Å; D1202-N1206 PolarHBondContact O-ND2 3.08Å; I1203-N1206 PolarHBondContact O-N 3.12Å; Y1204-N1206 VanDerWaalsContact C-N 3.33Å; Y1204-N1206 PolarHBondContact O-N 3.21Å; N1206-Q1209 PolarHBondContact O-N 3.2Å; N1206-M1210 PolarHBondContact O-N 2.8Å; N1206-M1210 VanDerWaalsContact O-N 3.07Å |
| 1207 | Y | 38.2 | Very low | 38.3 | Very low | 160 Ų | 160 | 117.7 Ų | 117.7 | 63% | 0.627 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.5 | -37.7 | 178.3 | -171.1 | -94.9 | 0 | 0 | 0 | 112.7 | I1203 Y1204 N1205 N1211 | I1203-Y1207 PolarHBondContact O-N 3.42Å; I1203-Y1207 VanDerWaalsContact O-N 3.1Å; Y1204-Y1207 PolarHBondContact O-N 3.19Å; Y1204-Y1207 VanDerWaalsContact O-N 3.16Å; N1205-Y1207 VanDerWaalsContact C-N 3.35Å; Y1207-N1211 PolarHBondContact O-ND2 3.18Å; Y1207-N1211 VanDerWaalsContact O-ND2 3.13Å |
| 1208 | V | 39 | Very low | 38.2 | Very low | 63 Ų | 63 | 118 Ų | 118 | 38% | 0.382 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.1 | -39.8 | 175.7 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | Y1204 N1205 N1211 | Y1204-V1208 HydrophobicContact CD1-CG2 4.15Å; Y1204-V1208 HydrophobicContact CE1-CG2 3.71Å; Y1204-V1208 HydrophobicContact CE2-CG2 4.18Å; Y1204-V1208 WeakPolarHBondContact O-CG2 3.26Å; Y1204-V1208 PolarHBondContact O-N 3.16Å; N1205-V1208 PolarHBondContact O-N 3.29Å; V1208-N1211 PolarHBondContact O-N 3.43Å |
| 1209 | Q | 39.3 | Very low | 38.2 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 71% | 0.71 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.3 | -38.6 | 175.5 | -88.5 | -170.9 | -15.5 | 0 | 0 | 112.9 | N1205 N1206 N1211 | N1205-Q1209 PolarHBondContact O-N 3.5Å; N1206-Q1209 PolarHBondContact O-N 3.2Å; Q1209-N1211 PolarHBondContact O-N 3.18Å |
| 1210 | M | 42 | Very low | 37.8 | Very low | 168 Ų | 168 | 118.7 Ų | 118.7 | 83% | 0.828 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.2 | -27.5 | -179.6 | -81.4 | -161.1 | 167 | 0 | 0 | 113.7 | N1206 | N1206-M1210 PolarHBondContact O-N 2.8Å; N1206-M1210 VanDerWaalsContact O-N 3.07Å |
| 1211 | N | 30.9 | Very low | 37.7 | Very low | 76 Ų | 76 | 120.9 Ų | 120.9 | 41% | 0.406 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.8 | 4.2 | -168.3 | -70.9 | -53.1 | 0 | 0 | 0 | 115.1 | Y1207 V1208 Q1209 I1213 | Y1207-N1211 PolarHBondContact O-ND2 3.18Å; Y1207-N1211 VanDerWaalsContact O-ND2 3.13Å; V1208-N1211 PolarHBondContact O-N 3.43Å; Q1209-N1211 PolarHBondContact O-N 3.18Å; N1211-I1213 HydrophobicContact CB-CD1 4.11Å; N1211-I1213 HydrophobicContact CB-CG1 3.95Å; N1211-I1213 VanDerWaalsContact O-CG1 3.27Å; N1211-I1213 WeakPolarHBondContact O-CG1 3.42Å; N1211-I1213 PolarHBondContact O-N 2.73Å |
| 1212 | N | 31.8 | Very low | 37.6 | Very low | 156 Ų | 156 | 117.8 Ų | 117.8 | 83% | 0.834 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.9 | 38.1 | 170.7 | -115.9 | -4 | 0 | 0 | 0 | 113.8 | G1214 | N1212-G1214 PolarHBondContact O-N 2.92Š|
| 1213 | I | 34.4 | Very low | 37.2 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 70% | 0.697 | 62% | 0.616 | S | S | * | * | trans | -79.1 | 94.4 | -177.1 | -54.6 | -179 | 0 | 0 | 0 | 106.8 | N1211 | N1211-I1213 HydrophobicContact CB-CD1 4.11Å; N1211-I1213 HydrophobicContact CB-CG1 3.95Å; N1211-I1213 VanDerWaalsContact O-CG1 3.27Å; N1211-I1213 WeakPolarHBondContact O-CG1 3.42Å; N1211-I1213 PolarHBondContact O-N 2.73Å | ||
| 1214 | G | 33 | Very low | 37.2 | Very low | 57 Ų | 57 | 116.2 Ų | 116.2 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | trans | -49.9 | 139.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1212 C1216 | N1212-G1214 PolarHBondContact O-N 2.92Å; G1214-C1216 PolarHBondContact O-N 3.45Å | ||
| 1215 | L | 31.4 | Very low | 37.6 | Very low | 175 Ų | 175 | 115.2 Ų | 115.2 | 92% | 0.916 | 61% | 0.613 | S | S | * | * | trans | -49.9 | 87.2 | -177.4 | -72.6 | 136.8 | 0 | 0 | 0 | 113.5 | ||||
| 1216 | C | 30.4 | Very low | 37.4 | Very low | 105 Ų | 105 | 120.3 Ų | 120.3 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | trans | -87.3 | 121.9 | 158.7 | -72.7 | 0 | 0 | 0 | 0 | 107.8 | G1214 I1218 | G1214-C1216 PolarHBondContact O-N 3.45Å; C1216-I1218 VanDerWaalsContact C-N 3.25Å; C1216-I1218 WeakPolarHBondContact O-CG1 3.39Å; C1216-I1218 PolarHBondContact O-N 2.91Å | ||
| 1217 | N | 31 | Very low | 37.4 | Very low | 168 Ų | 168 | 122.1 Ų | 122.1 | 90% | 0.898 | 63% | 0.631 | S | S | * | * | trans | -63.1 | 80.8 | 179.2 | -81.5 | -33 | 0 | 0 | 0 | 111.2 | ||||
| 1218 | I | 37.4 | Very low | 38.2 | Very low | 111 Ų | 111 | 117 Ų | 117 | 57% | 0.569 | 62% | 0.622 | S | S | * | * | trans | -77.3 | 127.8 | 175.9 | -67.2 | 169.7 | 0 | 0 | 0 | 108.2 | C1216 S1222 | C1216-I1218 VanDerWaalsContact C-N 3.25Å; C1216-I1218 WeakPolarHBondContact O-CG1 3.39Å; C1216-I1218 PolarHBondContact O-N 2.91Å; I1218-S1222 WeakPolarHBondContact CG2-OG 3.03Å | ||
| 1219 | S | 36.8 | Very low | 38.6 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 51% | 0.51 | 62% | 0.624 | S | S | . | * | trans | -61.2 | 146.9 | -174.7 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | N1221 S1222 M1223 | S1219-N1221 PolarHBondContact O-N 2.85Å; S1219-S1222 PolarHBondContact N-OG 2.87Å; S1219-S1222 PolarHBondContact O-N 2.99Å; S1219-S1222 PolarHBondContact O-OG 2.87Å; S1219-S1222 PolarHBondContact OG-OG 3.25Å; S1219-M1223 PolarHBondContact O-N 3.14Å | ||
| 1220 | K | 35.8 | Very low | 39 | Very low | 183 Ų | 183 | 112.8 Ų | 112.8 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -49.9 | -31.9 | 179.4 | -113.9 | 174.7 | 178.3 | 175.2 | 0 | 113.4 | N1224 | K1220-N1224 PolarHBondContact O-N 3.02Å; K1220-N1224 PolarHBondContact O-ND2 3.37Å |
| 1221 | N | 37.5 | Very low | 39.2 | Very low | 120 Ų | 120 | 112.1 Ų | 112.1 | 64% | 0.642 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73 | -38.3 | 178.4 | -79.3 | -1.3 | 0 | 0 | 0 | 113.4 | S1219 N1224 I1225 | S1219-N1221 PolarHBondContact O-N 2.85Å; N1221-N1224 PolarHBondContact O-N 3.03Å; N1221-I1225 WeakPolarHBondContact O-CG1 3.5Å; N1221-I1225 PolarHBondContact O-N 3.03Å; N1221-I1225 VanDerWaalsContact O-N 3.15Å |
| 1222 | S | 39.6 | Very low | 39.9 | Very low | 38 Ų | 38 | 113.6 Ų | 113.6 | 27% | 0.266 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.1 | -33.4 | 177.7 | 37.2 | 0 | 0 | 0 | 0 | 111.5 | I1218 S1219 N1224 I1225 Y1226 | I1218-S1222 WeakPolarHBondContact CG2-OG 3.03Å; S1219-S1222 PolarHBondContact N-OG 2.87Å; S1219-S1222 PolarHBondContact O-N 2.99Å; S1219-S1222 PolarHBondContact O-OG 2.87Å; S1219-S1222 PolarHBondContact OG-OG 3.25Å; S1222-N1224 VanDerWaalsContact C-N 3.34Å; S1222-N1224 PolarHBondContact O-N 2.76Å; S1222-I1225 PolarHBondContact O-N 2.75Å; S1222-Y1226 PolarHBondContact O-N 3.15Å |
| 1223 | M | 38.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 109.7 Ų | 109.7 | 44% | 0.443 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.3 | -39.7 | 169.8 | -165.9 | 84.4 | 87 | 0 | 0 | 112.3 | S1219 Y1226 K1227 | S1219-M1223 PolarHBondContact O-N 3.14Å; M1223-Y1226 PolarHBondContact O-N 3.1Å; M1223-K1227 WeakPolarHBondContact O-CG 3.43Å; M1223-K1227 PolarHBondContact O-N 3.47Å |
| 1224 | N | 46.6 | Very low | 40.9 | Very low | 95 Ų | 95 | 106.8 Ų | 106.8 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.9 | -38.4 | 178 | -75 | -17 | 0 | 0 | 0 | 112.2 | K1220 N1221 S1222 K1227 A1228 | K1220-N1224 PolarHBondContact O-N 3.02Å; K1220-N1224 PolarHBondContact O-ND2 3.37Å; N1221-N1224 PolarHBondContact O-N 3.03Å; S1222-N1224 VanDerWaalsContact C-N 3.34Å; S1222-N1224 PolarHBondContact O-N 2.76Å; N1224-K1227 PolarHBondContact O-N 3.39Å; N1224-A1228 WeakPolarHBondContact O-CB 3.5Å; N1224-A1228 PolarHBondContact O-N 3.36Å |
| 1225 | I | 45 | Very low | 41.7 | Very low | 115 Ų | 115 | 109.6 Ų | 109.6 | 59% | 0.59 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.3 | -45 | 175.3 | -66.2 | 167.8 | 0 | 0 | 0 | 110 | N1221 S1222 K1227 A1228 T1229 | N1221-I1225 WeakPolarHBondContact O-CG1 3.5Å; N1221-I1225 PolarHBondContact O-N 3.03Å; N1221-I1225 VanDerWaalsContact O-N 3.15Å; S1222-I1225 PolarHBondContact O-N 2.75Å; I1225-K1227 PolarHBondContact O-N 3.47Å; I1225-A1228 PolarHBondContact O-N 3.38Å; I1225-T1229 PolarHBondContact O-N 2.89Å; I1225-T1229 PolarHBondContact O-OG1 3.42Å |
| 1226 | Y | 40.5 | Very low | 42.3 | Very low | 183 Ų | 183 | 108 Ų | 108 | 72% | 0.718 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.8 | -40.4 | 177.8 | -113.8 | -83.4 | 0 | 0 | 0 | 112.9 | S1222 M1223 A1228 T1229 A1230 | S1222-Y1226 PolarHBondContact O-N 3.15Å; M1223-Y1226 PolarHBondContact O-N 3.1Å; Y1226-A1228 VanDerWaalsContact C-N 3.33Å; Y1226-A1228 PolarHBondContact O-N 2.99Å; Y1226-T1229 WeakPolarHBondContact CA-OG1 3.44Å; Y1226-T1229 PolarHBondContact O-N 2.92Å; Y1226-T1229 PolarHBondContact O-OG1 2.86Å; Y1226-A1230 VanDerWaalsContact O-CB 3.28Å; Y1226-A1230 WeakPolarHBondContact O-CB 3.16Å; Y1226-A1230 PolarHBondContact O-N 3.3Å |
| 1227 | K | 46.9 | Very low | 42.8 | Very low | 141 Ų | 141 | 110.5 Ų | 110.5 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.4 | -41.8 | 173.3 | -76.5 | 179.7 | 178.1 | -175.4 | 0 | 111.8 | M1223 N1224 I1225 Y1231 | M1223-K1227 WeakPolarHBondContact O-CG 3.43Å; M1223-K1227 PolarHBondContact O-N 3.47Å; N1224-K1227 PolarHBondContact O-N 3.39Å; I1225-K1227 PolarHBondContact O-N 3.47Å; K1227-Y1231 WeakPolarHBondContact O-CB 3.22Å; K1227-Y1231 PolarHBondContact O-N 3.05Å |
| 1228 | A | 53.3 | Low | 43 | Very low | 53 Ų | 53 | 114.8 Ų | 114.8 | 44% | 0.438 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.6 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N1224 I1225 Y1226 Y1231 L1232 | N1224-A1228 WeakPolarHBondContact O-CB 3.5Å; N1224-A1228 PolarHBondContact O-N 3.36Å; I1225-A1228 PolarHBondContact O-N 3.38Å; Y1226-A1228 VanDerWaalsContact C-N 3.33Å; Y1226-A1228 PolarHBondContact O-N 2.99Å; A1228-Y1231 PolarHBondContact O-N 3Å; A1228-L1232 WeakPolarHBondContact O-CB 3.45Å; A1228-L1232 PolarHBondContact O-N 3.44Å |
| 1229 | T | 48.1 | Very low | 43.2 | Very low | 70 Ų | 70 | 115 Ų | 115 | 43% | 0.429 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.2 | -45.1 | 177.7 | 11 | 0 | 0 | 0 | 0 | 111.4 | I1225 Y1226 Y1231 L1232 T1233 | I1225-T1229 PolarHBondContact O-N 2.89Å; I1225-T1229 PolarHBondContact O-OG1 3.42Å; Y1226-T1229 WeakPolarHBondContact CA-OG1 3.44Å; Y1226-T1229 PolarHBondContact O-N 2.92Å; Y1226-T1229 PolarHBondContact O-OG1 2.86Å; T1229-Y1231 VanDerWaalsContact C-N 3.3Å; T1229-Y1231 PolarHBondContact O-N 3.33Å; T1229-L1232 PolarHBondContact O-N 2.94Å; T1229-T1233 PolarHBondContact O-N 3.02Å; T1229-T1233 PolarHBondContact O-OG1 3.46Å |
| 1230 | A | 48.3 | Very low | 43.6 | Very low | 55 Ų | 55 | 117.2 Ų | 117.2 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.1 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y1226 T1233 S1234 | Y1226-A1230 VanDerWaalsContact O-CB 3.28Å; Y1226-A1230 WeakPolarHBondContact O-CB 3.16Å; Y1226-A1230 PolarHBondContact O-N 3.3Å; A1230-T1233 VanDerWaalsContact CA-OG1 3.31Å; A1230-T1233 WeakPolarHBondContact CA-OG1 3.49Å; A1230-T1233 PolarHBondContact O-N 2.84Å; A1230-T1233 PolarHBondContact O-OG1 3.36Å; A1230-S1234 WeakPolarHBondContact O-CB 3.26Å; A1230-S1234 PolarHBondContact O-N 2.86Å |
| 1231 | Y | 45.2 | Very low | 44 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.3 | -45.7 | 175.2 | -174.1 | -94.9 | 0 | 0 | 0 | 112.1 | K1227 A1228 T1229 S1234 Q1235 | K1227-Y1231 WeakPolarHBondContact O-CB 3.22Å; K1227-Y1231 PolarHBondContact O-N 3.05Å; A1228-Y1231 PolarHBondContact O-N 3Å; T1229-Y1231 VanDerWaalsContact C-N 3.3Å; T1229-Y1231 PolarHBondContact O-N 3.33Å; Y1231-S1234 PolarHBondContact O-N 2.8Å; Y1231-Q1235 HydrophobicContact CD1-CG 4.49Å; Y1231-Q1235 HydrophobicContact CE1-CG 4.08Å; Y1231-Q1235 PolarHBondContact O-N 3Å |
| 1232 | L | 46.5 | Very low | 44.4 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 56% | 0.56 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -42.3 | 176.6 | -90.7 | 157.8 | 0 | 0 | 0 | 112.4 | A1228 T1229 Q1235 L1236 | A1228-L1232 WeakPolarHBondContact O-CB 3.45Å; A1228-L1232 PolarHBondContact O-N 3.44Å; T1229-L1232 PolarHBondContact O-N 2.94Å; L1232-Q1235 PolarHBondContact O-N 3.12Å; L1232-L1236 PolarHBondContact O-N 3.46Å |
| 1233 | T | 43.5 | Very low | 44.7 | Very low | 74 Ų | 74 | 117.8 Ų | 117.8 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.8 | -35 | 177.3 | 42.5 | 0 | 0 | 0 | 0 | 112.6 | T1229 A1230 Q1235 L1236 L1237 | T1229-T1233 PolarHBondContact O-N 3.02Å; T1229-T1233 PolarHBondContact O-OG1 3.46Å; A1230-T1233 VanDerWaalsContact CA-OG1 3.31Å; A1230-T1233 WeakPolarHBondContact CA-OG1 3.49Å; A1230-T1233 PolarHBondContact O-N 2.84Å; A1230-T1233 PolarHBondContact O-OG1 3.36Å; T1233-Q1235 VanDerWaalsContact C-N 3.34Å; T1233-L1236 PolarHBondContact O-N 3.31Å; T1233-L1237 PolarHBondContact O-N 3.29Å; T1233-L1237 VanDerWaalsContact O-N 3.13Å |
| 1234 | S | 43.1 | Very low | 45.1 | Very low | 74 Ų | 74 | 119.7 Ų | 119.7 | 52% | 0.517 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.2 | -36 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | A1230 Y1231 L1237 Y1238 | A1230-S1234 WeakPolarHBondContact O-CB 3.26Å; A1230-S1234 PolarHBondContact O-N 2.86Å; Y1231-S1234 PolarHBondContact O-N 2.8Å; S1234-L1237 PolarHBondContact O-N 2.97Å; S1234-Y1238 PolarHBondContact O-N 3.47Å; S1234-Y1238 VanDerWaalsContact O-N 3.15Å |
| 1235 | Q | 50.1 | Low | 45 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.5 | -26.9 | 174.9 | -83.8 | -82.3 | -29.4 | 0 | 0 | 113 | Y1231 L1232 T1233 Y1238 | Y1231-Q1235 HydrophobicContact CD1-CG 4.49Å; Y1231-Q1235 HydrophobicContact CE1-CG 4.08Å; Y1231-Q1235 PolarHBondContact O-N 3Å; L1232-Q1235 PolarHBondContact O-N 3.12Å; T1233-Q1235 VanDerWaalsContact C-N 3.34Å; Q1235-Y1238 VanDerWaalsContact O-OXT 3.06Å |
| 1236 | L | 43.8 | Very low | 45 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -78.5 | -23.5 | 174.4 | -90.7 | 158.7 | 0 | 0 | 0 | 113.1 | L1232 T1233 | L1232-L1236 PolarHBondContact O-N 3.46Å; T1233-L1236 PolarHBondContact O-N 3.31Å |
| 1237 | L | 41 | Very low | 45.3 | Very low | 158 Ų | 158 | 116.8 Ų | 116.8 | 83% | 0.827 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -91.9 | -19.8 | 178.9 | -82.2 | 163 | 0 | 0 | 0 | 113.5 | T1233 S1234 | T1233-L1237 PolarHBondContact O-N 3.29Å; T1233-L1237 VanDerWaalsContact O-N 3.13Å; S1234-L1237 PolarHBondContact O-N 2.97Å |
| 1238 | Y | 34.3 | Very low | 45.2 | Very low | 257 Ų | 257 | 114.6 Ų | 114.6 | 100% | 1.008 | 60% | 0.598 | S | S | * | * | trans | -89.8 | 0 | 171.1 | -152.8 | -78.3 | 0 | 0 | 0 | 109.7 | S1234 Q1235 | S1234-Y1238 PolarHBondContact O-N 3.47Å; S1234-Y1238 VanDerWaalsContact O-N 3.15Å; Q1235-Y1238 VanDerWaalsContact O-OXT 3.06Å |
Retrieved 1,238 of 1,238 residues in 1451.3 ms
(Link to these results)