| 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 | 44.6 | Very low | 41.3 | Very low | 238 Ų | 238 | 146.4 Ų | 146.4 | 100% | 1.172 | 81% | 0.813 | S | S | * | * | 0 | 100.4 | 0 | -96.2 | 174 | 164.1 | 0 | 0 | 107.2 | |||||
| 2 | F | 38.8 | Very low | 41.6 | Very low | 212 Ų | 212 | 144.4 Ų | 144.4 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -88.8 | 114.4 | 178.6 | -80.2 | -84.1 | 0 | 0 | 0 | 109 | ||||
| 3 | T | 37.1 | Very low | 41.8 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -83.5 | 116.5 | 175.3 | -41.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | V | 38.7 | Very low | 42 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -80.1 | 118 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | L | 39.3 | Very low | 42.1 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -87.9 | 109.3 | 174.3 | -137 | 94.6 | 0 | 0 | 0 | 108.8 | I7 | L5-I7 PolarHBondContact O-N 3.48Š| ||
| 6 | T | 40.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 71% | 0.712 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 111.8 | 175.5 | -38.9 | 0 | 0 | 0 | 0 | 109.3 | F8 | T6-F8 PolarHBondContact O-N 3.4Š| ||
| 7 | I | 43.9 | Very low | 41.9 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -84.9 | 108.9 | 174.5 | -61.9 | 174.6 | 0 | 0 | 0 | 108.5 | L5 S9 | L5-I7 PolarHBondContact O-N 3.48Å; I7-S9 PolarHBondContact O-N 2.9Å | ||
| 8 | F | 43.1 | Very low | 41.7 | Very low | 196 Ų | 196 | 143.2 Ų | 143.2 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -76.1 | 109.1 | 166.1 | -97.5 | -92.8 | 0 | 0 | 0 | 109.3 | T6 G10 | T6-F8 PolarHBondContact O-N 3.4Å; F8-G10 PolarHBondContact O-N 3.47Å | ||
| 9 | S | 43.6 | Very low | 41.6 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -79.9 | 99.8 | 168.5 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | I7 V11 | I7-S9 PolarHBondContact O-N 2.9Å; S9-V11 PolarHBondContact O-N 2.91Å | ||
| 10 | G | 42 | Very low | 41.6 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -71.4 | 119.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F8 V12 | F8-G10 PolarHBondContact O-N 3.47Å; G10-V12 PolarHBondContact O-N 2.8Å | ||
| 11 | V | 42.8 | Very low | 41.8 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | trans | -74.3 | 107.2 | 170.6 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | S9 F13 | S9-V11 PolarHBondContact O-N 2.91Å; V11-F13 HydrophobicContact CG1-CD2 4.22Å; V11-F13 HydrophobicContact CG1-CE2 4.17Å; V11-F13 PolarHBondContact O-N 3.46Å | ||
| 12 | V | 44 | Very low | 42.7 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 75% | 0.745 | 72% | 0.719 | S | S | * | * | trans | -77.5 | 107.3 | 169.4 | 176.2 | 0 | 0 | 0 | 0 | 107.9 | G10 L14 | G10-V12 PolarHBondContact O-N 2.8Å; V12-L14 PolarHBondContact O-N 3.3Å; V12-L14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | F | 44.4 | Very low | 44.2 | Very low | 181 Ų | 181 | 124 Ų | 124 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | trans | -70.2 | 98.2 | 165.3 | -87.1 | -89.5 | 0 | 0 | 0 | 108.7 | V11 T15 | V11-F13 HydrophobicContact CG1-CD2 4.22Å; V11-F13 HydrophobicContact CG1-CE2 4.17Å; V11-F13 PolarHBondContact O-N 3.46Å; F13-T15 PolarHBondContact O-N 2.78Å | ||
| 14 | L | 45.3 | Very low | 46.5 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 81% | 0.812 | 68% | 0.676 | S | S | * | * | trans | -67.3 | 96.5 | 163.2 | -87.4 | 154.9 | 0 | 0 | 0 | 108 | V12 L16 | V12-L14 PolarHBondContact O-N 3.3Å; V12-L14 VanDerWaalsContact O-N 3.08Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.28Å | ||
| 15 | T | 43.5 | Very low | 49 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | trans | -67.3 | 96.9 | 163.6 | 45.4 | 0 | 0 | 0 | 0 | 107.7 | F13 N17 | F13-T15 PolarHBondContact O-N 2.78Å; T15-N17 PolarHBondContact O-N 2.78Å | ||
| 16 | L | 43.3 | Very low | 51.7 | Low | 156 Ų | 156 | 110.4 Ų | 110.4 | 82% | 0.817 | 63% | 0.631 | S | S | * | * | trans | -60.3 | 94 | 163.4 | -82.8 | 157 | 0 | 0 | 0 | 107.3 | L14 S18 | L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L16 PolarHBondContact O-N 3.28Å; L16-S18 PolarHBondContact O-N 3.04Å; L16-S18 PolarHBondContact O-OG 3.35Å | ||
| 17 | N | 37 | Very low | 54.4 | Low | 145 Ų | 145 | 105.3 Ų | 105.3 | 78% | 0.775 | 60% | 0.601 | S | S | * | * | trans | -61.6 | 85.8 | 160.8 | -80.3 | -41.2 | 0 | 0 | 0 | 106.8 | T15 V19 | T15-N17 PolarHBondContact O-N 2.78Å; N17-V19 VanDerWaalsContact C-N 3.27Å; N17-V19 PolarHBondContact O-N 3.01Å | ||
| 18 | S | 37.5 | Very low | 56.9 | Low | 91 Ų | 91 | 103.7 Ų | 103.7 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | trans | -67.1 | 94.6 | 172.1 | -59.7 | 0 | 0 | 0 | 0 | 105.7 | L16 M20 | L16-S18 PolarHBondContact O-N 3.04Å; L16-S18 PolarHBondContact O-OG 3.35Å; S18-M20 VanDerWaalsContact C-N 3.32Å; S18-M20 PolarHBondContact O-N 3.24Å | ||
| 19 | V | 40.2 | Very low | 59.5 | Low | 108 Ų | 108 | 96.3 Ų | 96.3 | 66% | 0.655 | 56% | 0.556 | S | S | * | * | trans | -61.1 | 103.3 | 167.2 | -176.3 | 0 | 0 | 0 | 0 | 105.1 | N17 C21 | N17-V19 VanDerWaalsContact C-N 3.27Å; N17-V19 PolarHBondContact O-N 3.01Å; V19-C21 PolarHBondContact O-N 3.08Å | ||
| 20 | M | 41.7 | Very low | 62.2 | Low | 171 Ų | 171 | 91.2 Ų | 91.2 | 84% | 0.842 | 52% | 0.52 | S | S | * | . | trans | -69 | 77.3 | 172.4 | -71.1 | -167.2 | -168.7 | 0 | 0 | 107.8 | S18 | S18-M20 VanDerWaalsContact C-N 3.32Å; S18-M20 PolarHBondContact O-N 3.24Å | ||
| 21 | C | 45.6 | Very low | 64.8 | Low | 58 Ų | 58 | 88.4 Ų | 88.4 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | trans | -62.3 | 147.1 | 160 | -64 | 0 | 0 | 0 | 0 | 107.8 | V19 N23 | V19-C21 PolarHBondContact O-N 3.08Å; C21-N23 VanDerWaalsContact C-N 3.26Å; C21-N23 PolarHBondContact O-N 2.7Å | ||
| 22 | L | 63.4 | Low | 67.5 | Low | 30 Ų | 30 | 83.2 Ų | 83.2 | 16% | 0.157 | 46% | 0.458 | C | S | . | . | trans | -58.1 | 93.3 | 171 | -174.2 | 77.2 | 0 | 0 | 0 | 109.2 | N24 N214 | L22-N24 HydrophobicContact CD1-CB 4.32Å; L22-N214 VanDerWaalsContact CB-O 3.22Å; L22-N214 WeakPolarHBondContact CB-O 3.26Å; L22-N214 PolarHBondContact N-O 2.86Å | ||
| 23 | N | 71.6 | Confident | 70.1 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | trans | -120 | 51.5 | 176.2 | -164.5 | 20.6 | 0 | 0 | 0 | 108.3 | C21 G25 R28 | C21-N23 VanDerWaalsContact C-N 3.26Å; C21-N23 PolarHBondContact O-N 2.7Å; N23-G25 PolarHBondContact O-N 3.24Å; N23-G25 VanDerWaalsContact O-N 3.1Å; N23-R28 VanDerWaalsContact OD1-CZ 3.31Å; N23-R28 PolarHBondContact OD1-NH1 3.21Å; N23-R28 VanDerWaalsContact OD1-NH1 3.13Å; N23-R28 PolarHBondContact OD1-NH2 3.15Å | ||
| 24 | N | 85.4 | Confident | 72.7 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 23% | 0.23 | 39% | 0.385 | C | S | . | . | trans | -72 | 5 | 179.6 | 66.8 | -5.6 | 0 | 0 | 0 | 113.2 | L22 L26 N217 | L22-N24 HydrophobicContact CD1-CB 4.32Å; N24-L26 PolarHBondContact O-N 3.35Å; N24-L26 PolarHBondContact OD1-N 2.87Å; N24-N217 PolarHBondContact ND2-OD1 2.86Å; N24-N217 PolarHBondContact OD1-ND2 2.99Å; N24-N217 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 25 | G | 90.9 | Very high | 75.2 | Confident | 40 Ų | 40 | 61.6 Ų | 61.6 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 80.2 | -8.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N23 | N23-G25 PolarHBondContact O-N 3.24Å; N23-G25 VanDerWaalsContact O-N 3.1Å |
| 26 | L | 96.2 | Very high | 77.8 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | trans | -91.5 | 169.4 | -175.4 | -57.6 | -179.8 | 0 | 0 | 0 | 112.3 | N24 R28 P187 M189 | N24-L26 PolarHBondContact O-N 3.35Å; N24-L26 PolarHBondContact OD1-N 2.87Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 2.91Å; L26-P187 HydrophobicContact CD1-CB 3.99Å; L26-P187 HydrophobicContact CD2-CB 4.31Å; L26-P187 HydrophobicContact CG-CB 4.34Å; L26-M189 HydrophobicContact CB-CE 4.23Å; L26-M189 HydrophobicContact CD1-CB 4.18Å | ||
| 27 | A | 97.2 | Very high | 80.3 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | trans | 52.8 | 38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T29 M189 N217 G253 W255 | A27-T29 CarbonylContact C-O 3.57Å; A27-T29 VanDerWaalsContact C-O 3.25Å; A27-T29 WeakPolarHBondContact CA-O 3.35Å; A27-T29 PolarHBondContact O-N 2.83Å; A27-M189 HydrophobicContact CB-CE 3.73Å; A27-M189 HydrophobicContact CB-SD 4.35Å; A27-N217 HydrophobicContact CB-CB 4.02Å; A27-G253 WeakPolarHBondContact O-CA 3.35Å; A27-G253 PolarHBondContact O-N 3.45Å; A27-W255 PolarHBondContact O-NE1 2.86Å | ||
| 28 | R | 96.9 | Very high | 83 | Confident | 115 Ų | 115 | 46.6 Ų | 46.6 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -66.6 | -26.6 | 177.2 | -62.5 | -53.5 | -169.1 | -176.3 | 2.9 | 113.5 | N23 L26 | N23-R28 VanDerWaalsContact OD1-CZ 3.31Å; N23-R28 PolarHBondContact OD1-NH1 3.21Å; N23-R28 VanDerWaalsContact OD1-NH1 3.13Å; N23-R28 PolarHBondContact OD1-NH2 3.15Å; L26-R28 VanDerWaalsContact C-N 3.27Å; L26-R28 PolarHBondContact O-N 2.91Å |
| 29 | T | 98 | Very high | 85.6 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -122.7 | 164.6 | 160 | 56.2 | 0 | 0 | 0 | 0 | 107.5 | A27 W255 Q314 | A27-T29 CarbonylContact C-O 3.57Å; A27-T29 VanDerWaalsContact C-O 3.25Å; A27-T29 WeakPolarHBondContact CA-O 3.35Å; A27-T29 PolarHBondContact O-N 2.83Å; T29-W255 PolarHBondContact O-NE1 2.88Å; T29-Q314 VanDerWaalsContact CB-OE1 3.29Å; T29-Q314 WeakPolarHBondContact CG2-O 3.47Å; T29-Q314 PolarHBondContact OG1-OE1 3.11Å |
| 30 | P | 98.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | trans | -56.7 | 136.3 | 176.4 | -23.5 | 34 | 0 | 0 | 0 | 110.8 | W255 A284 A285 Q314 | P30-W255 HydrophobicContact CB-CD2 4.39Å; P30-W255 HydrophobicContact CG-CD2 3.88Å; P30-W255 HydrophobicContact CG-CE3 3.85Å; P30-W255 HydrophobicContact CG-CH2 4.13Å; P30-W255 HydrophobicContact CG-CZ2 4.17Å; P30-W255 HydrophobicContact CG-CZ3 3.98Å; P30-A284 HydrophobicContact CG-CB 4.14Å; P30-A284 WeakPolarHBondContact CG-O 3.44Å; P30-A285 VanDerWaalsContact CB-O 3.22Å; P30-A285 WeakPolarHBondContact CB-O 3.26Å; P30-Q314 PolarHBondContact O-NE2 3.11Å | ||
| 31 | P | 98.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | trans | -70.5 | 143.5 | -179.4 | 26.9 | -31.5 | 0 | 0 | 0 | 111 | Y78 M189 L218 P286 L287 | P31-Y78 HydrophobicContact CB-CD2 3.85Å; P31-Y78 HydrophobicContact CB-CE2 3.7Å; P31-M189 HydrophobicContact CB-CE 4.01Å; P31-M189 HydrophobicContact CB-SD 3.76Å; P31-M189 HydrophobicContact CG-CE 4.33Å; P31-M189 HydrophobicContact CG-SD 3.62Å; P31-L218 HydrophobicContact CG-CD1 3.82Å; P31-L218 HydrophobicContact CG-CD2 3.98Å; P31-L218 HydrophobicContact CG-CG 4.36Å; P31-P286 HydrophobicContact CG-CB 4.03Å; P31-P286 HydrophobicContact CG-CG 4.22Å; P31-P286 CarbonylContact O-C 3.57Å; P31-P286 VanDerWaalsContact O-CA 3.3Å; P31-P286 WeakPolarHBondContact O-CA 3.35Å; P31-L287 PolarHBondContact O-N 2.98Å | ||
| 32 | M | 98.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.034 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.2 | 176.1 | -55.6 | 174.6 | 58.8 | 0 | 0 | 109.9 | G75 Y76 K77 Y78 L287 L310 Q314 | M32-G75 WeakPolarHBondContact CB-O 3.31Å; M32-Y76 HydrophobicContact CB-CD1 3.89Å; M32-Y76 HydrophobicContact CB-CE1 4.24Å; M32-Y76 HydrophobicContact CB-CG 4.34Å; M32-Y76 HydrophobicContact CE-CD1 4.02Å; M32-Y76 HydrophobicContact CE-CD2 3.78Å; M32-Y76 HydrophobicContact CE-CE1 3.68Å; M32-Y76 HydrophobicContact CE-CE2 3.44Å; M32-Y76 VanDerWaalsContact CE-CE2 3.44Å; M32-Y76 HydrophobicContact CE-CG 4.06Å; M32-K77 PolarHBondContact O-N 3.11Å; M32-Y78 WeakPolarHBondContact O-CD2 3.45Å; M32-Y78 PolarHBondContact O-N 2.83Å; M32-L287 WeakPolarHBondContact CA-O 3.43Å; M32-L287 HydrophobicContact CB-CB 4.48Å; M32-L287 HydrophobicContact CE-CD1 4.22Å; M32-L287 HydrophobicContact CG-CB 4.08Å; M32-L287 HydrophobicContact CG-CD1 4.4Å; M32-L287 HydrophobicContact CG-CG 4.49Å; M32-L310 HydrophobicContact CE-CD1 4.27Å; M32-L310 HydrophobicContact CE-CD2 3.5Å; M32-L310 VanDerWaalsContact CE-CD2 3.5Å; M32-L310 HydrophobicContact CE-CG 4.47Å; M32-L310 HydrophobicContact SD-CD2 4.48Å; M32-Q314 HydrophobicContact SD-CG 3.86Å |
| 33 | G | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | -156.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y78 L287 I288 I289 | G33-Y78 CarbonylContact C-O 3.55Å; G33-Y78 WeakPolarHBondContact CA-O 2.98Å; G33-L287 PolarHBondContact N-O 3.04Å; G33-I288 WeakPolarHBondContact O-CA 3.46Å; G33-I289 PolarHBondContact O-N 2.84Å |
| 34 | W | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 145.3 | 177.5 | 176.4 | 100 | 0 | 0 | 0 | 110.6 | T36 L40 I59 T62 L66 Y78 V79 I80 I289 T291 | W34-T36 HydrophobicContact CH2-CG2 3.45Å; W34-T36 VanDerWaalsContact CH2-CG2 3.45Å; W34-T36 HydrophobicContact CZ3-CG2 3.42Å; W34-T36 VanDerWaalsContact CZ3-CG2 3.42Å; W34-L40 HydrophobicContact CH2-CD1 4.22Å; W34-I59 HydrophobicContact CH2-CD1 4.13Å; W34-I59 HydrophobicContact CZ3-CD1 4.1Å; W34-T62 HydrophobicContact CD2-CG2 3.6Å; W34-T62 HydrophobicContact CE3-CG2 3.96Å; W34-T62 HydrophobicContact CG-CG2 4Å; W34-T62 HydrophobicContact CH2-CG2 4.06Å; W34-T62 HydrophobicContact CZ2-CG2 3.74Å; W34-T62 HydrophobicContact CZ3-CG2 4.18Å; W34-L66 HydrophobicContact CB-CD1 4.14Å; W34-L66 HydrophobicContact CB-CD2 4.47Å; W34-Y78 PolarHBondContact N-O 2.75Å; W34-V79 HydrophobicContact CE3-CG1 4.05Å; W34-V79 HydrophobicContact CZ3-CG1 4.17Å; W34-I80 PolarHBondContact O-N 3.35Å; W34-I289 CarbonylContact C-O 3.52Å; W34-I289 WeakPolarHBondContact CA-O 3.3Å; W34-T291 PolarHBondContact NE1-O 3.27Å |
| 35 | N | 98.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.2 | 178.4 | -178.4 | -53 | 0 | 0 | 0 | 110.5 | W37 I80 D82 M260 I288 I289 S290 | N35-W37 WeakPolarHBondContact OD1-CB 3.28Å; N35-W37 PolarHBondContact OD1-N 3.04Å; N35-I80 WeakPolarHBondContact CA-O 3.34Å; N35-I80 HydrophobicContact CB-CB 4.1Å; N35-I80 WeakPolarHBondContact ND2-CG2 3.46Å; N35-D82 PolarHBondContact ND2-OD2 2.83Å; N35-M260 HydrophobicContact CB-CG 4.28Å; N35-M260 HydrophobicContact CB-SD 3.82Å; N35-I288 HydrophobicContact CB-CG2 3.45Å; N35-I288 VanDerWaalsContact CB-CG2 3.45Å; N35-I289 PolarHBondContact N-O 2.9Å; N35-S290 WeakPolarHBondContact O-CA 3.43Å; N35-S290 VanDerWaalsContact O-CB 3.27Å; N35-S290 WeakPolarHBondContact O-CB 3.27Å; N35-S290 PolarHBondContact O-OG 2.8Å |
| 36 | T | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -74.1 | -20.9 | -177.4 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | W34 Q39 L40 G41 L54 I59 I80 I81 D82 | W34-T36 HydrophobicContact CH2-CG2 3.45Å; W34-T36 VanDerWaalsContact CH2-CG2 3.45Å; W34-T36 HydrophobicContact CZ3-CG2 3.42Å; W34-T36 VanDerWaalsContact CZ3-CG2 3.42Å; T36-Q39 PolarHBondContact O-N 3.19Å; T36-L40 HydrophobicContact CG2-CD1 4.12Å; T36-L40 WeakPolarHBondContact O-CA 3.49Å; T36-L40 WeakPolarHBondContact O-CB 3.38Å; T36-L40 PolarHBondContact O-N 2.66Å; T36-G41 PolarHBondContact O-N 3.29Å; T36-L54 HydrophobicContact CG2-CD1 3.78Å; T36-I59 HydrophobicContact CG2-CD1 3.45Å; T36-I59 VanDerWaalsContact CG2-CD1 3.45Å; T36-I80 PolarHBondContact N-O 3.3Å; T36-I80 VanDerWaalsContact N-O 3.11Å; T36-I81 HydrophobicContact CG2-CG1 4.5Å; T36-D82 WeakPolarHBondContact OG1-CB 3.33Å; T36-D82 PolarHBondContact OG1-N 3.36Å |
| 37 | W | 96.1 | Very high | 94.9 | Very high | 60 Ų | 60 | 38.5 Ų | 38.5 | 23% | 0.227 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -48.7 | -157.7 | -171.5 | -112.4 | 0 | 0 | 0 | 115.4 | N35 Q39 G41 D82 D83 M260 | N35-W37 WeakPolarHBondContact OD1-CB 3.28Å; N35-W37 PolarHBondContact OD1-N 3.04Å; W37-Q39 VanDerWaalsContact C-N 3.35Å; W37-G41 WeakPolarHBondContact O-CA 3.32Å; W37-G41 PolarHBondContact O-N 2.91Å; W37-D82 HydrophobicContact CB-CB 3.76Å; W37-D82 HydrophobicContact CD2-CB 4.41Å; W37-D82 HydrophobicContact CE3-CB 3.98Å; W37-D82 HydrophobicContact CG-CB 4.39Å; W37-D83 HydrophobicContact CE3-CB 4.33Å; W37-D83 HydrophobicContact CH2-CB 4.21Å; W37-D83 HydrophobicContact CZ3-CB 3.67Å; W37-M260 HydrophobicContact CB-CE 3.86Å; W37-M260 HydrophobicContact CB-SD 3.99Å; W37-M260 HydrophobicContact CG-CE 4.24Å |
| 38 | Q | 94.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -25.2 | 178.6 | -68.1 | -70.9 | -35.2 | 0 | 0 | 112.8 | S225 M260 V262 S290 | Q38-S225 VanDerWaalsContact CD-O 3.3Å; Q38-S225 PolarHBondContact NE2-O 3.19Å; Q38-M260 HydrophobicContact CG-CE 3.69Å; Q38-M260 HydrophobicContact CG-SD 4.25Å; Q38-V262 HydrophobicContact CB-CG1 4.21Å; Q38-V262 HydrophobicContact CG-CG1 3.84Å; Q38-S290 VanDerWaalsContact CA-OG 3.29Å; Q38-S290 WeakPolarHBondContact CA-OG 3.26Å; Q38-S290 WeakPolarHBondContact CB-OG 3.43Å; Q38-S290 PolarHBondContact N-OG 3.28Å |
| 39 | Q | 91.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -54.8 | -179.4 | -178 | -166.1 | -20.9 | 0 | 0 | 112.4 | T36 W37 S290 T291 D292 | T36-Q39 PolarHBondContact O-N 3.19Å; W37-Q39 VanDerWaalsContact C-N 3.35Å; Q39-S290 PolarHBondContact N-OG 3.48Å; Q39-S290 VanDerWaalsContact N-OG 3.1Å; Q39-T291 VanDerWaalsContact CD-C 3.45Å; Q39-T291 PolarHBondContact OE1-O 2.76Å; Q39-D292 VanDerWaalsContact CD-N 3.33Å; Q39-D292 HydrophobicContact CG-CB 4.23Å; Q39-D292 VanDerWaalsContact NE2-CA 3.32Å |
| 40 | L | 93.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -26.4 | -172.4 | -55.7 | -179.6 | 0 | 0 | 0 | 111.7 | W34 T36 C42 Q43 L54 A58 | W34-L40 HydrophobicContact CH2-CD1 4.22Å; T36-L40 HydrophobicContact CG2-CD1 4.12Å; T36-L40 WeakPolarHBondContact O-CA 3.49Å; T36-L40 WeakPolarHBondContact O-CB 3.38Å; T36-L40 PolarHBondContact O-N 2.66Å; L40-C42 PolarHBondContact O-N 2.82Å; L40-Q43 VanDerWaalsContact O-CB 3.27Å; L40-Q43 WeakPolarHBondContact O-CB 3.43Å; L40-Q43 WeakPolarHBondContact O-CG 3.3Å; L40-Q43 PolarHBondContact O-N 3.26Å; L40-Q43 VanDerWaalsContact O-N 3.13Å; L40-L54 HydrophobicContact CD1-CD1 4.12Å; L40-A58 HydrophobicContact CD1-CB 4.26Å |
| 41 | G | 92.7 | Very high | 88.9 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -137.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T36 W37 | T36-G41 PolarHBondContact O-N 3.29Å; W37-G41 WeakPolarHBondContact O-CA 3.32Å; W37-G41 PolarHBondContact O-N 2.91Å |
| 42 | C | 94.6 | Very high | 88 | Confident | 53 Ų | 53 | 54.4 Ų | 54.4 | 36% | 0.358 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 34.1 | 175.9 | -159.6 | 0 | 0 | 0 | 0 | 112.9 | L40 V44 C84 | L40-C42 PolarHBondContact O-N 2.82Å; C42-V44 PolarHBondContact O-N 3.47Å; C42-C84 HydrophobicContact CB-CB 4.01Å; C42-C84 WeakPolarHBondContact CB-SG 3.49Å; C42-C84 WeakPolarHBondContact SG-CB 3.31Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 2.92Å |
| 43 | Q | 93.9 | Very high | 87.6 | Confident | 111 Ų | 111 | 54.1 Ų | 54.1 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | trans | -74.7 | 85.9 | 178.4 | -64.9 | -63.2 | -17.2 | 0 | 0 | 110.8 | L40 C53 L54 | L40-Q43 VanDerWaalsContact O-CB 3.27Å; L40-Q43 WeakPolarHBondContact O-CB 3.43Å; L40-Q43 WeakPolarHBondContact O-CG 3.3Å; L40-Q43 PolarHBondContact O-N 3.26Å; L40-Q43 VanDerWaalsContact O-N 3.13Å; Q43-C53 CarbonylContact O-C 3.58Å; Q43-C53 WeakPolarHBondContact O-CA 3.42Å; Q43-C53 PolarHBondContact O-SG 2.82Å; Q43-C53 VanDerWaalsContact O-SG 3.34Å; Q43-L54 PolarHBondContact O-N 3.45Å | ||
| 44 | V | 93.3 | Very high | 87.5 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 29% | 0.291 | 29% | 0.286 | S | S | . | . | trans | -94 | -5.8 | -176.5 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | C42 C46 C84 R103 | C42-V44 PolarHBondContact O-N 3.47Å; V44-C46 PolarHBondContact O-N 3.28Å; V44-C84 HydrophobicContact CG1-CB 3.83Å; V44-R103 WeakPolarHBondContact O-CD 3.26Å | ||
| 45 | N | 90.6 | Very high | 87.3 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | trans | -86.4 | 92.4 | 177.6 | -175.3 | -8.9 | 0 | 0 | 0 | 111.4 | N47 N48 | N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 2.85Å; N45-N47 WeakPolarHBondContact OD1-CB 3.22Å; N45-N47 PolarHBondContact OD1-N 3.44Å; N45-N47 VanDerWaalsContact OD1-N 3.14Å; N45-N48 PolarHBondContact ND2-ND2 3.27Å | ||
| 46 | C | 88.6 | Confident | 87.2 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.6 | -178.4 | -66.1 | 0 | 0 | 0 | 0 | 114.9 | V44 Q50 C53 N55 | V44-C46 PolarHBondContact O-N 3.28Å; C46-Q50 WeakPolarHBondContact O-CG 3.49Å; C46-C53 WeakPolarHBondContact CA-SG 3.49Å; C46-C53 HydrophobicContact CB-CB 3.77Å; C46-C53 WeakPolarHBondContact CB-SG 3.45Å; C46-C53 PolarHBondContact N-SG 3.24Å; C46-C53 WeakPolarHBondContact SG-CB 3.2Å; C46-C53 CovalentContact SG-SG 2.04Å; C46-C53 PolarHBondContact SG-SG 2.9Å; C46-N55 PolarHBondContact SG-ND2 3.26Å; C46-N55 VanDerWaalsContact SG-ND2 3.4Å |
| 47 | N | 84.1 | Confident | 87.1 | Confident | 149 Ų | 149 | 60.4 Ų | 60.4 | 80% | 0.797 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -34.7 | 178.9 | -66.6 | -19.3 | 0 | 0 | 0 | 111.8 | N45 | N45-N47 VanDerWaalsContact C-N 3.31Å; N45-N47 PolarHBondContact O-N 2.85Å; N45-N47 WeakPolarHBondContact OD1-CB 3.22Å; N45-N47 PolarHBondContact OD1-N 3.44Å; N45-N47 VanDerWaalsContact OD1-N 3.14Å |
| 48 | N | 68.8 | Low | 87 | Confident | 129 Ų | 129 | 57.5 Ų | 57.5 | 69% | 0.69 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -22.5 | -173.1 | -68.4 | -9.2 | 0 | 0 | 0 | 113.3 | N45 | N45-N48 PolarHBondContact ND2-ND2 3.27Š|
| 49 | T | 65.9 | Low | 87.2 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | trans | -145 | 69.1 | -175.2 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | I51 N52 C53 | T49-I51 PolarHBondContact O-N 3.01Å; T49-N52 PolarHBondContact O-N 3.44Å; T49-C53 WeakPolarHBondContact O-CB 3.47Å; T49-C53 PolarHBondContact O-N 3.24Å | ||
| 50 | Q | 60.6 | Low | 87.5 | Confident | 157 Ų | 157 | 56.2 Ų | 56.2 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -33.2 | -178 | -79.5 | -173.1 | -13.2 | 0 | 0 | 113.6 | C46 | C46-Q50 WeakPolarHBondContact O-CG 3.49Š|
| 51 | I | 69.3 | Low | 87.6 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -34.6 | -178.5 | -59.4 | 177.5 | 0 | 0 | 0 | 112.2 | T49 R61 | T49-I51 PolarHBondContact O-N 3.01Å; I51-R61 PolarHBondContact O-NH2 3.27Å |
| 52 | N | 78.8 | Confident | 87.8 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 6.5 | -170.8 | -65.8 | -14.3 | 0 | 0 | 0 | 113.9 | T49 | T49-N52 PolarHBondContact O-N 3.44Š|
| 53 | C | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -75.6 | 142 | 172.7 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | Q43 C46 T49 N55 A58 | Q43-C53 CarbonylContact O-C 3.58Å; Q43-C53 WeakPolarHBondContact O-CA 3.42Å; Q43-C53 PolarHBondContact O-SG 2.82Å; Q43-C53 VanDerWaalsContact O-SG 3.34Å; C46-C53 WeakPolarHBondContact CA-SG 3.49Å; C46-C53 HydrophobicContact CB-CB 3.77Å; C46-C53 WeakPolarHBondContact CB-SG 3.45Å; C46-C53 PolarHBondContact N-SG 3.24Å; C46-C53 WeakPolarHBondContact SG-CB 3.2Å; C46-C53 CovalentContact SG-SG 2.04Å; C46-C53 PolarHBondContact SG-SG 2.9Å; T49-C53 WeakPolarHBondContact O-CB 3.47Å; T49-C53 PolarHBondContact O-N 3.24Å; C53-N55 PolarHBondContact O-N 3.26Å; C53-A58 WeakPolarHBondContact O-CB 3.47Å |
| 54 | L | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -71.2 | 90.2 | 171.2 | -177.8 | 66.4 | 0 | 0 | 0 | 110.3 | T36 L40 Q43 I59 I81 D83 C84 R103 F104 | T36-L54 HydrophobicContact CG2-CD1 3.78Å; L40-L54 HydrophobicContact CD1-CD1 4.12Å; Q43-L54 PolarHBondContact O-N 3.45Å; L54-I59 HydrophobicContact CD1-CD1 4.41Å; L54-I81 HydrophobicContact CD1-CG2 4.3Å; L54-D83 VanDerWaalsContact CD2-O 3.26Å; L54-D83 WeakPolarHBondContact CD2-O 3.45Å; L54-C84 HydrophobicContact CD2-CB 3.95Å; L54-R103 WeakPolarHBondContact O-CD 3.22Å; L54-R103 PolarHBondContact O-NH1 3.01Å; L54-F104 HydrophobicContact CG-CZ 4.35Å |
| 55 | N | 95.7 | Very high | 88.4 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -143.4 | 167.6 | 179.7 | 67.9 | 45.3 | 0 | 0 | 0 | 112 | C46 C53 N57 A58 I59 R103 | C46-N55 PolarHBondContact SG-ND2 3.26Å; C46-N55 VanDerWaalsContact SG-ND2 3.4Å; C53-N55 PolarHBondContact O-N 3.26Å; N55-N57 VanDerWaalsContact C-N 3.3Å; N55-N57 PolarHBondContact O-N 2.97Å; N55-N57 PolarHBondContact OD1-N 3.39Å; N55-A58 WeakPolarHBondContact O-CB 3.22Å; N55-A58 PolarHBondContact O-N 3.15Å; N55-A58 PolarHBondContact OD1-N 2.87Å; N55-I59 WeakPolarHBondContact O-CG1 3.14Å; N55-I59 PolarHBondContact O-N 3.06Å; N55-R103 WeakPolarHBondContact CA-O 3.33Å; N55-R103 HydrophobicContact CB-CB 4.01Å; N55-R103 WeakPolarHBondContact CB-O 3.38Å |
| 56 | E | 96.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.3 | -42.8 | -178.8 | -177.8 | 178.1 | -178.8 | 0 | 0 | 113 | A58 I59 K60 R103 F104 P105 S106 L111 | E56-A58 PolarHBondContact O-N 3.02Å; E56-I59 PolarHBondContact O-N 2.75Å; E56-K60 HydrophobicContact CG-CD 4.24Å; E56-K60 HydrophobicContact CG-CG 4.42Å; E56-K60 WeakPolarHBondContact O-CG 3.33Å; E56-K60 PolarHBondContact O-N 2.78Å; E56-K60 WeakPolarHBondContact OE1-CE 3.43Å; E56-K60 IonicContact OE1-NZ 2.67Å; E56-K60 PolarHBondContact OE1-NZ 3.49Å; E56-R103 WeakPolarHBondContact CB-O 3.49Å; E56-R103 PolarHBondContact N-O 3.08Å; E56-F104 HydrophobicContact CB-CD1 3.81Å; E56-F104 HydrophobicContact CB-CE1 4.45Å; E56-P105 WeakPolarHBondContact OE2-CD 3.15Å; E56-S106 VanDerWaalsContact OE1-CB 3.31Å; E56-S106 WeakPolarHBondContact OE1-CB 3.38Å; E56-S106 PolarHBondContact OE1-OG 3.49Å; E56-S106 WeakPolarHBondContact OE2-CB 3.32Å; E56-S106 PolarHBondContact OE2-N 2.9Å; E56-S106 PolarHBondContact OE2-OG 2.59Å; E56-L111 HydrophobicContact CG-CD1 4.28Å |
| 57 | N | 94.7 | Very high | 89.2 | Confident | 115 Ų | 115 | 50.5 Ų | 50.5 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.9 | -36.5 | -178.1 | -71.3 | -23.8 | 0 | 0 | 0 | 112.4 | N55 I59 K60 R61 | N55-N57 VanDerWaalsContact C-N 3.3Å; N55-N57 PolarHBondContact O-N 2.97Å; N55-N57 PolarHBondContact OD1-N 3.39Å; N57-I59 VanDerWaalsContact C-N 3.35Å; N57-K60 PolarHBondContact O-N 3.37Å; N57-R61 WeakPolarHBondContact O-CB 3.41Å; N57-R61 PolarHBondContact O-N 2.85Å |
| 58 | A | 94.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L40 C53 N55 E56 R61 T62 | L40-A58 HydrophobicContact CD1-CB 4.26Å; C53-A58 WeakPolarHBondContact O-CB 3.47Å; N55-A58 WeakPolarHBondContact O-CB 3.22Å; N55-A58 PolarHBondContact O-N 3.15Å; N55-A58 PolarHBondContact OD1-N 2.87Å; E56-A58 PolarHBondContact O-N 3.02Å; A58-R61 PolarHBondContact O-N 3.15Å; A58-T62 PolarHBondContact O-N 3.01Å; A58-T62 PolarHBondContact O-OG1 2.9Å |
| 59 | I | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 176.7 | -51.7 | -50.5 | 0 | 0 | 0 | 111 | W34 T36 L54 N55 E56 N57 R61 T62 A63 V79 I81 F104 L111 | W34-I59 HydrophobicContact CH2-CD1 4.13Å; W34-I59 HydrophobicContact CZ3-CD1 4.1Å; T36-I59 HydrophobicContact CG2-CD1 3.45Å; T36-I59 VanDerWaalsContact CG2-CD1 3.45Å; L54-I59 HydrophobicContact CD1-CD1 4.41Å; N55-I59 WeakPolarHBondContact O-CG1 3.14Å; N55-I59 PolarHBondContact O-N 3.06Å; E56-I59 PolarHBondContact O-N 2.75Å; N57-I59 VanDerWaalsContact C-N 3.35Å; I59-R61 PolarHBondContact O-N 2.94Å; I59-T62 PolarHBondContact O-N 2.86Å; I59-A63 WeakPolarHBondContact O-CB 3.17Å; I59-A63 PolarHBondContact O-N 3.23Å; I59-V79 HydrophobicContact CG2-CG1 3.68Å; I59-I81 HydrophobicContact CD1-CD1 4.37Å; I59-I81 HydrophobicContact CD1-CG1 4.01Å; I59-I81 HydrophobicContact CG1-CD1 3.91Å; I59-I81 HydrophobicContact CG1-CG1 4.1Å; I59-I81 HydrophobicContact CG2-CD1 4.37Å; I59-I81 HydrophobicContact CG2-CG1 4.48Å; I59-F104 HydrophobicContact CG1-CE1 4.32Å; I59-L111 HydrophobicContact CB-CD1 4.31Å; I59-L111 HydrophobicContact CB-CD2 4.34Å; I59-L111 HydrophobicContact CG1-CD2 4.43Å; I59-L111 HydrophobicContact CG2-CD1 4.07Å; I59-L111 HydrophobicContact CG2-CD2 4.21Å |
| 60 | K | 97.2 | Very high | 92.8 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 178.1 | -70.3 | -173.1 | 177.1 | 168 | 0 | 112.1 | E56 N57 A63 D64 L111 Y114 | E56-K60 HydrophobicContact CG-CD 4.24Å; E56-K60 HydrophobicContact CG-CG 4.42Å; E56-K60 WeakPolarHBondContact O-CG 3.33Å; E56-K60 PolarHBondContact O-N 2.78Å; E56-K60 WeakPolarHBondContact OE1-CE 3.43Å; E56-K60 IonicContact OE1-NZ 2.67Å; E56-K60 PolarHBondContact OE1-NZ 3.49Å; N57-K60 PolarHBondContact O-N 3.37Å; K60-A63 WeakPolarHBondContact O-CB 3.29Å; K60-A63 PolarHBondContact O-N 3.25Å; K60-D64 VanDerWaalsContact O-CG 3.28Å; K60-D64 PolarHBondContact O-N 2.99Å; K60-D64 VanDerWaalsContact O-OD2 3.13Å; K60-L111 HydrophobicContact CG-CD1 4.06Å; K60-Y114 HydrophobicContact CB-CD1 4.26Å; K60-Y114 HydrophobicContact CB-CE1 3.61Å; K60-Y114 HydrophobicContact CD-CD1 4.15Å; K60-Y114 HydrophobicContact CD-CD2 4.26Å; K60-Y114 HydrophobicContact CD-CE1 4.04Å; K60-Y114 HydrophobicContact CD-CE2 4.15Å; K60-Y114 HydrophobicContact CD-CG 4.23Å; K60-Y114 HydrophobicContact CG-CD1 3.63Å; K60-Y114 HydrophobicContact CG-CE1 3.48Å; K60-Y114 VanDerWaalsContact CG-CE1 3.48Å; K60-Y114 HydrophobicContact CG-CE2 4.49Å; K60-Y114 HydrophobicContact CG-CG 4.19Å |
| 61 | R | 95.7 | Very high | 94.6 | Very high | 66 Ų | 66 | 34.5 Ų | 34.5 | 25% | 0.249 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 177 | -174.1 | 177.8 | 72.6 | -117.9 | -4.8 | 111.6 | I51 N57 A58 I59 A63 D64 K65 D294 | I51-R61 PolarHBondContact O-NH2 3.27Å; N57-R61 WeakPolarHBondContact O-CB 3.41Å; N57-R61 PolarHBondContact O-N 2.85Å; A58-R61 PolarHBondContact O-N 3.15Å; I59-R61 PolarHBondContact O-N 2.94Å; R61-A63 VanDerWaalsContact C-N 3.33Å; R61-A63 PolarHBondContact O-N 3.45Å; R61-D64 PolarHBondContact O-N 2.84Å; R61-K65 PolarHBondContact O-N 2.66Å; R61-D294 WeakPolarHBondContact CD-OD2 3.27Å; R61-D294 IonicContact NE-OD2 2.94Å; R61-D294 PolarHBondContact NE-OD2 2.94Å |
| 62 | T | 96.5 | Very high | 96 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 175 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | W34 A58 I59 D64 K65 L66 M293 | W34-T62 HydrophobicContact CD2-CG2 3.6Å; W34-T62 HydrophobicContact CE3-CG2 3.96Å; W34-T62 HydrophobicContact CG-CG2 4Å; W34-T62 HydrophobicContact CH2-CG2 4.06Å; W34-T62 HydrophobicContact CZ2-CG2 3.74Å; W34-T62 HydrophobicContact CZ3-CG2 4.18Å; A58-T62 PolarHBondContact O-N 3.01Å; A58-T62 PolarHBondContact O-OG1 2.9Å; I59-T62 PolarHBondContact O-N 2.86Å; T62-D64 VanDerWaalsContact C-N 3.33Å; T62-D64 PolarHBondContact O-N 2.96Å; T62-K65 WeakPolarHBondContact O-CB 3.03Å; T62-K65 PolarHBondContact O-N 3.13Å; T62-K65 VanDerWaalsContact O-N 3.13Å; T62-L66 HydrophobicContact CG2-CD1 4.42Å; T62-L66 HydrophobicContact CG2-CG 4.43Å; T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.47Å; T62-M293 HydrophobicContact CG2-CB 4.43Å; T62-M293 HydrophobicContact CG2-CG 3.77Å |
| 63 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I59 K60 R61 K65 L66 V67 Y114 L115 K118 L120 | I59-A63 WeakPolarHBondContact O-CB 3.17Å; I59-A63 PolarHBondContact O-N 3.23Å; K60-A63 WeakPolarHBondContact O-CB 3.29Å; K60-A63 PolarHBondContact O-N 3.25Å; R61-A63 VanDerWaalsContact C-N 3.33Å; R61-A63 PolarHBondContact O-N 3.45Å; A63-K65 VanDerWaalsContact C-N 3.31Å; A63-K65 PolarHBondContact O-N 3.25Å; A63-L66 PolarHBondContact O-N 2.85Å; A63-V67 WeakPolarHBondContact O-CG2 3.43Å; A63-V67 PolarHBondContact O-N 2.83Å; A63-Y114 HydrophobicContact CB-CE1 4.35Å; A63-L115 HydrophobicContact CB-CD2 3.43Å; A63-L115 VanDerWaalsContact CB-CD2 3.43Å; A63-K118 HydrophobicContact CB-CD 4.45Å; A63-L120 HydrophobicContact CB-CD1 3.7Å |
| 64 | D | 98.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 37.3 Ų | 37.3 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 173.6 | -70.5 | -36.5 | 0 | 0 | 0 | 111.3 | K60 R61 T62 V67 S68 Y114 K118 | K60-D64 VanDerWaalsContact O-CG 3.28Å; K60-D64 PolarHBondContact O-N 2.99Å; K60-D64 VanDerWaalsContact O-OD2 3.13Å; R61-D64 PolarHBondContact O-N 2.84Å; T62-D64 VanDerWaalsContact C-N 3.33Å; T62-D64 PolarHBondContact O-N 2.96Å; D64-V67 PolarHBondContact O-N 2.97Å; D64-S68 WeakPolarHBondContact O-CB 3.37Å; D64-S68 PolarHBondContact O-N 3.03Å; D64-S68 PolarHBondContact O-OG 3.3Å; D64-Y114 VanDerWaalsContact CG-OH 3.28Å; D64-Y114 PolarHBondContact OD1-OH 2.8Å; D64-Y114 PolarHBondContact OD2-OH 2.92Å; D64-K118 WeakPolarHBondContact OD1-CE 3.41Å; D64-K118 IonicContact OD1-NZ 2.78Å; D64-K118 PolarHBondContact OD1-NZ 3Å |
| 65 | K | 97.6 | Very high | 97.4 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 24% | 0.239 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.4 | -85.9 | -77.4 | 162.3 | -167.5 | 0 | 113.6 | R61 T62 A63 V67 D69 M293 D294 | R61-K65 PolarHBondContact O-N 2.66Å; T62-K65 WeakPolarHBondContact O-CB 3.03Å; T62-K65 PolarHBondContact O-N 3.13Å; T62-K65 VanDerWaalsContact O-N 3.13Å; A63-K65 VanDerWaalsContact C-N 3.31Å; A63-K65 PolarHBondContact O-N 3.25Å; K65-V67 PolarHBondContact O-N 2.9Å; K65-D69 WeakPolarHBondContact CD-OD2 3.5Å; K65-D69 IonicContact NZ-OD1 2.92Å; K65-D69 PolarHBondContact NZ-OD1 2.68Å; K65-D69 IonicContact NZ-OD2 3.6Å; K65-D69 PolarHBondContact NZ-OD2 2.69Å; K65-D69 VanDerWaalsContact O-CB 3.32Å; K65-D69 WeakPolarHBondContact O-CB 3.24Å; K65-D69 PolarHBondContact O-N 2.84Å; K65-M293 HydrophobicContact CB-CB 4.02Å; K65-D294 WeakPolarHBondContact CD-OD1 3.48Å; K65-D294 WeakPolarHBondContact CE-OD1 3.42Å; K65-D294 WeakPolarHBondContact CG-OD1 3.38Å |
| 66 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.5 | -34.5 | 175.6 | -70.9 | 174.3 | 0 | 0 | 0 | 111.7 | W34 T62 A63 W71 R72 V79 L120 M293 | W34-L66 HydrophobicContact CB-CD1 4.14Å; W34-L66 HydrophobicContact CB-CD2 4.47Å; T62-L66 HydrophobicContact CG2-CD1 4.42Å; T62-L66 HydrophobicContact CG2-CG 4.43Å; T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.47Å; A63-L66 PolarHBondContact O-N 2.85Å; L66-W71 HydrophobicContact CB-CB 4.42Å; L66-W71 HydrophobicContact CD2-CB 3.74Å; L66-W71 HydrophobicContact CD2-CG 4.09Å; L66-W71 WeakPolarHBondContact O-CA 3.36Å; L66-W71 WeakPolarHBondContact O-CB 3.29Å; L66-W71 PolarHBondContact O-N 3.17Å; L66-R72 PolarHBondContact O-N 2.53Å; L66-V79 HydrophobicContact CD1-CG2 3.59Å; L66-L120 HydrophobicContact CB-CD1 4.45Å; L66-L120 HydrophobicContact CB-CD2 4.39Å; L66-M293 HydrophobicContact CD2-CE 4.08Å |
| 67 | V | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 22% | 0.218 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -81.1 | -56.5 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | A63 D64 K65 D69 G70 K118 L120 | A63-V67 WeakPolarHBondContact O-CG2 3.43Å; A63-V67 PolarHBondContact O-N 2.83Å; D64-V67 PolarHBondContact O-N 2.97Å; K65-V67 PolarHBondContact O-N 2.9Å; V67-D69 PolarHBondContact O-N 2.79Å; V67-G70 PolarHBondContact O-N 2.91Å; V67-K118 HydrophobicContact CG2-CB 3.9Å; V67-K118 HydrophobicContact CG2-CD 4.33Å; V67-K118 HydrophobicContact CG2-CG 4.39Å; V67-L120 HydrophobicContact CG2-CD1 4.2Å; V67-L120 HydrophobicContact CG2-CG 4.44Å |
| 68 | S | 98.2 | Very high | 97.8 | Very high | 82 Ų | 82 | 37.8 Ų | 37.8 | 57% | 0.573 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -62.1 | -35 | -170.9 | 66.1 | 0 | 0 | 0 | 0 | 112.6 | D64 G70 | D64-S68 WeakPolarHBondContact O-CB 3.37Å; D64-S68 PolarHBondContact O-N 3.03Å; D64-S68 PolarHBondContact O-OG 3.3Å; S68-G70 VanDerWaalsContact C-N 3.31Å |
| 69 | D | 98 | Very high | 98 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 4.2 | -177.8 | -58.8 | 8.4 | 0 | 0 | 0 | 111 | K65 V67 R305 | K65-D69 WeakPolarHBondContact CD-OD2 3.5Å; K65-D69 IonicContact NZ-OD1 2.92Å; K65-D69 PolarHBondContact NZ-OD1 2.68Å; K65-D69 IonicContact NZ-OD2 3.6Å; K65-D69 PolarHBondContact NZ-OD2 2.69Å; K65-D69 VanDerWaalsContact O-CB 3.32Å; K65-D69 WeakPolarHBondContact O-CB 3.24Å; K65-D69 PolarHBondContact O-N 2.84Å; V67-D69 PolarHBondContact O-N 2.79Å; D69-R305 PolarHBondContact O-NH1 3.03Å; D69-R305 PolarHBondContact O-NH2 2.69Å |
| 70 | G | 98.1 | Very high | 98.1 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 12.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | V67 S68 D73 L74 | V67-G70 PolarHBondContact O-N 2.91Å; S68-G70 VanDerWaalsContact C-N 3.31Å; G70-D73 PolarHBondContact O-N 3.12Å; G70-L74 PolarHBondContact O-N 3.36Å |
| 71 | W | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -41 | 178 | -59 | 102.9 | 0 | 0 | 0 | 112.3 | L66 D73 L74 G75 Y76 M293 A301 L304 R305 | L66-W71 HydrophobicContact CB-CB 4.42Å; L66-W71 HydrophobicContact CD2-CB 3.74Å; L66-W71 HydrophobicContact CD2-CG 4.09Å; L66-W71 WeakPolarHBondContact O-CA 3.36Å; L66-W71 WeakPolarHBondContact O-CB 3.29Å; L66-W71 PolarHBondContact O-N 3.17Å; W71-D73 PolarHBondContact O-N 2.9Å; W71-L74 HydrophobicContact CE3-CD1 4.4Å; W71-L74 WeakPolarHBondContact O-CB 3.38Å; W71-L74 PolarHBondContact O-N 3.4Å; W71-L74 VanDerWaalsContact O-N 3.11Å; W71-G75 PolarHBondContact O-N 2.88Å; W71-Y76 HydrophobicContact CB-CD2 4.34Å; W71-Y76 HydrophobicContact CE3-CD2 4.1Å; W71-Y76 HydrophobicContact CE3-CE2 4.15Å; W71-Y76 WeakPolarHBondContact O-CB 3.25Å; W71-Y76 WeakPolarHBondContact O-CD2 3.49Å; W71-Y76 PolarHBondContact O-N 3Å; W71-Y76 VanDerWaalsContact O-N 3.16Å; W71-M293 HydrophobicContact CD2-CE 3.83Å; W71-M293 VanDerWaalsContact CE2-CE 3.41Å; W71-M293 HydrophobicContact CG-CE 4Å; W71-M293 HydrophobicContact CZ2-CE 3.88Å; W71-A301 HydrophobicContact CH2-CB 3.94Å; W71-A301 HydrophobicContact CZ2-CB 4.37Å; W71-L304 HydrophobicContact CH2-CB 4.1Å; W71-L304 HydrophobicContact CH2-CD1 4.24Å; W71-L304 HydrophobicContact CZ3-CB 3.61Å; W71-L304 HydrophobicContact CZ3-CD1 4.3Å; W71-R305 HydrophobicContact CE3-CG 4.14Å; W71-R305 HydrophobicContact CH2-CG 3.87Å; W71-R305 VanDerWaalsContact CH2-NE 3.34Å; W71-R305 HydrophobicContact CZ3-CG 3.45Å; W71-R305 VanDerWaalsContact CZ3-CG 3.45Å |
| 72 | R | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 32.4 Ų | 32.4 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -54.8 | -42 | 175.5 | -178.7 | -160.9 | 65.1 | -159.5 | -7 | 111.8 | L66 L74 G75 Y76 K77 K118 L120 | L66-R72 PolarHBondContact O-N 2.53Å; R72-L74 PolarHBondContact O-N 3.38Å; R72-G75 PolarHBondContact O-N 2.7Å; R72-Y76 WeakPolarHBondContact CA-O 3.37Å; R72-K77 HydrophobicContact CG-CG 4.17Å; R72-K118 VanDerWaalsContact CD-O 3.24Å; R72-K118 WeakPolarHBondContact CD-O 3.31Å; R72-K118 PolarHBondContact NH1-O 3.35Å; R72-L120 HydrophobicContact CB-CD2 4.05Å; R72-L120 HydrophobicContact CG-CD2 3.84Å |
| 73 | D | 98.3 | Very high | 98.3 | Very high | 115 Ų | 115 | 32.4 Ų | 32.4 | 62% | 0.615 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -73.6 | -20 | -175.3 | -60.2 | -16 | 0 | 0 | 0 | 111.9 | G70 W71 G75 | G70-D73 PolarHBondContact O-N 3.12Å; W71-D73 PolarHBondContact O-N 2.9Å; D73-G75 VanDerWaalsContact C-N 3.31Å |
| 74 | L | 98.3 | Very high | 98.3 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 33% | 0.325 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -81.1 | -8.2 | 168.5 | -65.8 | 167.1 | 0 | 0 | 0 | 113.4 | G70 W71 R72 Y76 R305 L310 | G70-L74 PolarHBondContact O-N 3.36Å; W71-L74 HydrophobicContact CE3-CD1 4.4Å; W71-L74 WeakPolarHBondContact O-CB 3.38Å; W71-L74 PolarHBondContact O-N 3.4Å; W71-L74 VanDerWaalsContact O-N 3.11Å; R72-L74 PolarHBondContact O-N 3.38Å; L74-Y76 HydrophobicContact CB-CD2 4.13Å; L74-Y76 HydrophobicContact CB-CE2 4.34Å; L74-R305 HydrophobicContact CD1-CB 3.92Å; L74-R305 HydrophobicContact CD1-CG 3.56Å; L74-L310 HydrophobicContact CB-CD1 4.34Å; L74-L310 HydrophobicContact CD2-CD1 4.39Å |
| 75 | G | 98.3 | Very high | 98.3 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 25% | 0.247 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | -12.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | M32 W71 R72 D73 K77 | M32-G75 WeakPolarHBondContact CB-O 3.31Å; W71-G75 PolarHBondContact O-N 2.88Å; R72-G75 PolarHBondContact O-N 2.7Å; D73-G75 VanDerWaalsContact C-N 3.31Å; G75-K77 VanDerWaalsContact C-N 3.34Å; G75-K77 WeakPolarHBondContact O-CG 3.33Å; G75-K77 PolarHBondContact O-N 2.81Å |
| 76 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -70.5 | 85 | 179 | -63.3 | -81.9 | 0 | 0 | 0 | 111.3 | M32 W71 R72 L74 L287 I289 L304 | M32-Y76 HydrophobicContact CB-CD1 3.89Å; M32-Y76 HydrophobicContact CB-CE1 4.24Å; M32-Y76 HydrophobicContact CB-CG 4.34Å; M32-Y76 HydrophobicContact CE-CD1 4.02Å; M32-Y76 HydrophobicContact CE-CD2 3.78Å; M32-Y76 HydrophobicContact CE-CE1 3.68Å; M32-Y76 HydrophobicContact CE-CE2 3.44Å; M32-Y76 VanDerWaalsContact CE-CE2 3.44Å; M32-Y76 HydrophobicContact CE-CG 4.06Å; W71-Y76 HydrophobicContact CB-CD2 4.34Å; W71-Y76 HydrophobicContact CE3-CD2 4.1Å; W71-Y76 HydrophobicContact CE3-CE2 4.15Å; W71-Y76 WeakPolarHBondContact O-CB 3.25Å; W71-Y76 WeakPolarHBondContact O-CD2 3.49Å; W71-Y76 PolarHBondContact O-N 3Å; W71-Y76 VanDerWaalsContact O-N 3.16Å; R72-Y76 WeakPolarHBondContact CA-O 3.37Å; L74-Y76 HydrophobicContact CB-CD2 4.13Å; L74-Y76 HydrophobicContact CB-CE2 4.34Å; Y76-L287 HydrophobicContact CE1-CB 4.08Å; Y76-L287 WeakPolarHBondContact CE1-O 3.49Å; Y76-I289 HydrophobicContact CD1-CD1 3.57Å; Y76-I289 HydrophobicContact CD1-CG1 4.05Å; Y76-I289 HydrophobicContact CE1-CD1 3.45Å; Y76-I289 VanDerWaalsContact CE1-CD1 3.45Å; Y76-I289 HydrophobicContact CE1-CG1 3.75Å; Y76-I289 HydrophobicContact CE2-CD1 4.4Å; Y76-I289 HydrophobicContact CG-CD1 4.12Å; Y76-L304 WeakPolarHBondContact CE2-O 3.43Å; Y76-L304 PolarHBondContact OH-O 2.88Å | ||
| 77 | K | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 28.7 Ų | 28.7 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | trans | -109.2 | -29.6 | -168.7 | -70.8 | 176.4 | -176.2 | -178.7 | 0 | 114.2 | M32 R72 G75 L120 L121 | M32-K77 PolarHBondContact O-N 3.11Å; R72-K77 HydrophobicContact CG-CG 4.17Å; G75-K77 VanDerWaalsContact C-N 3.34Å; G75-K77 WeakPolarHBondContact O-CG 3.33Å; G75-K77 PolarHBondContact O-N 2.81Å; K77-L120 CarbonylContact O-C 3.54Å; K77-L120 WeakPolarHBondContact O-CA 3.35Å; K77-L120 WeakPolarHBondContact O-CB 3.22Å; K77-L120 WeakPolarHBondContact O-CD2 3.21Å; K77-L121 HydrophobicContact CB-CD1 4.38Å; K77-L121 PolarHBondContact O-N 2.94Å | ||
| 78 | Y | 98.8 | Very high | 98.2 | Very high | 28 Ų | 28 | 34 Ų | 34 | 11% | 0.11 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 134.3 | -179.5 | -68.1 | -83.8 | 0 | 0 | 0 | 110.9 | P31 M32 G33 W34 L121 D156 Y157 M189 | P31-Y78 HydrophobicContact CB-CD2 3.85Å; P31-Y78 HydrophobicContact CB-CE2 3.7Å; M32-Y78 WeakPolarHBondContact O-CD2 3.45Å; M32-Y78 PolarHBondContact O-N 2.83Å; G33-Y78 CarbonylContact C-O 3.55Å; G33-Y78 WeakPolarHBondContact CA-O 2.98Å; W34-Y78 PolarHBondContact N-O 2.75Å; Y78-L121 CarbonylContact C-O 3.57Å; Y78-L121 WeakPolarHBondContact CA-O 3.32Å; Y78-L121 HydrophobicContact CD1-CB 3.63Å; Y78-L121 HydrophobicContact CD1-CD1 4.13Å; Y78-L121 HydrophobicContact CE1-CB 3.75Å; Y78-L121 HydrophobicContact CE1-CD1 3.56Å; Y78-L121 HydrophobicContact CE1-CG 4.3Å; Y78-L121 HydrophobicContact CE2-CD1 3.98Å; Y78-L121 HydrophobicContact CG-CB 4.28Å; Y78-L121 VanDerWaalsContact CZ-CD1 3.45Å; Y78-D156 HydrophobicContact CE1-CB 4.39Å; Y78-Y157 HydrophobicContact CD1-CD2 4.11Å; Y78-Y157 HydrophobicContact CD1-CG 4.32Å; Y78-Y157 HydrophobicContact CE1-CD2 4.3Å; Y78-M189 HydrophobicContact CE2-CE 4.21Å; Y78-M189 VanDerWaalsContact OH-CE 3.3Å; Y78-M189 WeakPolarHBondContact OH-CE 3.49Å |
| 79 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 104 | 170.6 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | W34 I59 L66 L115 L120 L121 G123 | W34-V79 HydrophobicContact CE3-CG1 4.05Å; W34-V79 HydrophobicContact CZ3-CG1 4.17Å; I59-V79 HydrophobicContact CG2-CG1 3.68Å; L66-V79 HydrophobicContact CD1-CG2 3.59Å; V79-L115 HydrophobicContact CB-CD1 4.05Å; V79-L115 HydrophobicContact CB-CD2 4.06Å; V79-L115 HydrophobicContact CG1-CD1 4.24Å; V79-L115 HydrophobicContact CG1-CD2 4.13Å; V79-L115 HydrophobicContact CG2-CD2 4.01Å; V79-L120 HydrophobicContact CG2-CB 4.38Å; V79-L120 HydrophobicContact CG2-CD1 4.04Å; V79-L121 PolarHBondContact N-O 3.34Å; V79-G123 PolarHBondContact O-N 2.98Å |
| 80 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.8 | -168.3 | -53.9 | 162 | 0 | 0 | 0 | 109.9 | W34 N35 T36 G123 Y157 I288 | W34-I80 PolarHBondContact O-N 3.35Å; N35-I80 WeakPolarHBondContact CA-O 3.34Å; N35-I80 HydrophobicContact CB-CB 4.1Å; N35-I80 WeakPolarHBondContact ND2-CG2 3.46Å; T36-I80 PolarHBondContact N-O 3.3Å; T36-I80 VanDerWaalsContact N-O 3.11Å; I80-G123 CarbonylContact C-O 3.52Å; I80-G123 WeakPolarHBondContact CA-O 3.46Å; I80-Y157 HydrophobicContact CD1-CD1 4.03Å; I80-Y157 HydrophobicContact CD1-CD2 4.41Å; I80-Y157 HydrophobicContact CD1-CE1 3.76Å; I80-Y157 HydrophobicContact CD1-CE2 4.15Å; I80-Y157 HydrophobicContact CD1-CG 4.37Å; I80-Y157 HydrophobicContact CG1-CD1 3.98Å; I80-Y157 HydrophobicContact CG1-CE1 4.17Å; I80-Y157 HydrophobicContact CG1-CG 4.35Å; I80-Y157 HydrophobicContact CG2-CD1 4.18Å; I80-Y157 HydrophobicContact CG2-CE1 4.13Å; I80-I288 HydrophobicContact CD1-CD1 4.1Å; I80-I288 HydrophobicContact CD1-CG1 4.42Å; I80-I288 HydrophobicContact CD1-CG2 3.99Å |
| 81 | I | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.2 | 172.2 | -58.6 | 178.3 | 0 | 0 | 0 | 108.6 | T36 L54 I59 W85 F104 L111 F122 G123 I124 T125 | T36-I81 HydrophobicContact CG2-CG1 4.5Å; L54-I81 HydrophobicContact CD1-CG2 4.3Å; I59-I81 HydrophobicContact CD1-CD1 4.37Å; I59-I81 HydrophobicContact CD1-CG1 4.01Å; I59-I81 HydrophobicContact CG1-CD1 3.91Å; I59-I81 HydrophobicContact CG1-CG1 4.1Å; I59-I81 HydrophobicContact CG2-CD1 4.37Å; I59-I81 HydrophobicContact CG2-CG1 4.48Å; I81-W85 HydrophobicContact CG2-CB 3.61Å; I81-W85 HydrophobicContact CG2-CG 4.02Å; I81-F104 HydrophobicContact CD1-CE1 4.09Å; I81-L111 HydrophobicContact CD1-CD2 3.51Å; I81-F122 HydrophobicContact CD1-CE2 3.6Å; I81-F122 HydrophobicContact CD1-CZ 4.09Å; I81-F122 HydrophobicContact CG1-CE2 3.95Å; I81-G123 PolarHBondContact N-O 2.87Å; I81-I124 CarbonylContact O-C 3.42Å; I81-I124 WeakPolarHBondContact O-CA 3.31Å; I81-T125 PolarHBondContact O-N 3.35Å |
| 82 | D | 97.9 | Very high | 98 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -81 | -166.9 | 177.5 | -141.9 | -77 | 0 | 0 | 0 | 112.5 | N35 T36 W37 W85 T125 K159 | N35-D82 PolarHBondContact ND2-OD2 2.83Å; T36-D82 WeakPolarHBondContact OG1-CB 3.33Å; T36-D82 PolarHBondContact OG1-N 3.36Å; W37-D82 HydrophobicContact CB-CB 3.76Å; W37-D82 HydrophobicContact CD2-CB 4.41Å; W37-D82 HydrophobicContact CE3-CB 3.98Å; W37-D82 HydrophobicContact CG-CB 4.39Å; D82-W85 VanDerWaalsContact O-CD1 3.3Å; D82-T125 WeakPolarHBondContact CA-OG1 3.35Å; D82-T125 PolarHBondContact OD2-OG1 3.4Å; D82-K159 IonicContact OD1-NZ 3.62Å; D82-K159 IonicContact OD2-NZ 2.71Å; D82-K159 PolarHBondContact OD2-NZ 3.36Å | ||
| 83 | D | 97.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 162.1 | -175.4 | -153.5 | -12.9 | 0 | 0 | 0 | 113.1 | W37 L54 T132 C133 A134 | W37-D83 HydrophobicContact CE3-CB 4.33Å; W37-D83 HydrophobicContact CH2-CB 4.21Å; W37-D83 HydrophobicContact CZ3-CB 3.67Å; L54-D83 VanDerWaalsContact CD2-O 3.26Å; L54-D83 WeakPolarHBondContact CD2-O 3.45Å; D83-T132 VanDerWaalsContact CG-OG1 3.24Å; D83-T132 WeakPolarHBondContact OD1-CB 3.48Å; D83-T132 PolarHBondContact OD1-OG1 3.38Å; D83-T132 VanDerWaalsContact OD2-CB 3.23Å; D83-T132 WeakPolarHBondContact OD2-CB 3.45Å; D83-T132 PolarHBondContact OD2-OG1 3.38Å; D83-C133 PolarHBondContact OD2-N 2.89Å; D83-C133 VanDerWaalsContact OD2-N 3.16Å; D83-A134 WeakPolarHBondContact OD2-CB 3.19Å; D83-A134 PolarHBondContact OD2-N 3Å |
| 84 | C | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 11.6 | 178.3 | -43.4 | 0 | 0 | 0 | 0 | 117.2 | C42 V44 L54 R103 A134 Y136 | C42-C84 HydrophobicContact CB-CB 4.01Å; C42-C84 WeakPolarHBondContact CB-SG 3.49Å; C42-C84 WeakPolarHBondContact SG-CB 3.31Å; C42-C84 CovalentContact SG-SG 2.02Å; C42-C84 PolarHBondContact SG-SG 2.92Å; V44-C84 HydrophobicContact CG1-CB 3.83Å; L54-C84 HydrophobicContact CD2-CB 3.95Å; C84-R103 PolarHBondContact O-NH1 2.8Å; C84-R103 PolarHBondContact O-NH2 2.99Å; C84-A134 WeakPolarHBondContact SG-CB 3.42Å; C84-Y136 HydrophobicContact CB-CD2 4.41Å; C84-Y136 HydrophobicContact CB-CE2 3.65Å; C84-Y136 VanDerWaalsContact SG-CE2 3.6Å |
| 85 | W | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -78.5 | -23.2 | 170 | 68.3 | -89.9 | 0 | 0 | 0 | 113.7 | I81 D82 L97 P99 D100 F104 M108 I124 T125 I126 W153 | I81-W85 HydrophobicContact CG2-CB 3.61Å; I81-W85 HydrophobicContact CG2-CG 4.02Å; D82-W85 VanDerWaalsContact O-CD1 3.3Å; W85-L97 HydrophobicContact CH2-CB 4.25Å; W85-P99 HydrophobicContact CE3-CB 3.81Å; W85-P99 HydrophobicContact CZ3-CB 3.87Å; W85-D100 PolarHBondContact O-N 3.02Å; W85-F104 HydrophobicContact CB-CE2 3.81Å; W85-F104 HydrophobicContact CB-CZ 4.03Å; W85-M108 HydrophobicContact CE3-CE 4.35Å; W85-M108 HydrophobicContact CE3-CG 4.04Å; W85-M108 HydrophobicContact CE3-SD 3.86Å; W85-M108 HydrophobicContact CZ3-CG 3.78Å; W85-M108 HydrophobicContact CZ3-SD 4.22Å; W85-I124 HydrophobicContact CD2-CD1 3.86Å; W85-I124 HydrophobicContact CD2-CG1 4.22Å; W85-I124 VanDerWaalsContact CE2-CD1 3.44Å; W85-I124 HydrophobicContact CE3-CD1 4.15Å; W85-I124 HydrophobicContact CH2-CD1 3.77Å; W85-I124 HydrophobicContact CZ2-CD1 3.39Å; W85-I124 HydrophobicContact CZ2-CG1 3.93Å; W85-I124 HydrophobicContact CZ3-CD1 4.11Å; W85-T125 PolarHBondContact NE1-O 3.09Å; W85-I126 HydrophobicContact CZ2-CG2 4.18Å; W85-W153 AromaticContact CH2-CH2 3.58Å; W85-W153 HydrophobicContact CH2-CH2 3.58Å; W85-W153 AromaticContact CH2-CZ3 3.34Å; W85-W153 HydrophobicContact CH2-CZ3 3.34Å; W85-W153 HydrophobicContact CZ2-CZ3 4.3Å; W85-W153 AromaticContact CZ3-CH2 3.73Å; W85-W153 HydrophobicContact CZ3-CH2 3.73Å; W85-W153 AromaticContact CZ3-CZ3 3.71Å; W85-W153 HydrophobicContact CZ3-CZ3 3.71Å | ||
| 86 | L | 98.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 151.6 | -176.6 | -72.8 | 163.1 | 0 | 0 | 0 | 112.9 | L97 L98 R103 T132 Y136 | L86-L97 HydrophobicContact CD1-CD2 4.44Å; L86-L97 HydrophobicContact CD2-CB 3.9Å; L86-L97 HydrophobicContact CD2-CD1 4.42Å; L86-L97 HydrophobicContact CD2-CD2 3.69Å; L86-L97 HydrophobicContact CD2-CG 4.21Å; L86-L98 CarbonylContact C-O 3.58Å; L86-L98 WeakPolarHBondContact CA-O 3.45Å; L86-R103 PolarHBondContact O-NH2 2.74Å; L86-T132 HydrophobicContact CD1-CG2 3.94Å; L86-Y136 HydrophobicContact CB-CD1 3.71Å; L86-Y136 HydrophobicContact CB-CG 4.04Å; L86-Y136 VanDerWaalsContact O-CD1 3.27Å; L86-Y136 WeakPolarHBondContact O-CD1 3.33Å; L86-Y136 WeakPolarHBondContact O-CE1 3.45Å |
| 87 | S | 97.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 24% | 0.238 | 24% | 0.237 | C | C | . | . | trans | -61.6 | 154.5 | 154.8 | 174.2 | 0 | 0 | 0 | 0 | 110 | L89 L98 P137 | S87-L89 WeakPolarHBondContact CB-O 3.43Å; S87-L89 PolarHBondContact O-N 3.38Å; S87-L89 PolarHBondContact OG-N 3.31Å; S87-L89 PolarHBondContact OG-O 3.12Å; S87-L89 VanDerWaalsContact OG-O 3.08Å; S87-L98 WeakPolarHBondContact CB-O 3.42Å; S87-L98 PolarHBondContact N-O 3.26Å; S87-P137 WeakPolarHBondContact O-CD 3.45Å | ||
| 88 | R | 96.9 | Very high | 97.7 | Very high | 149 Ų | 149 | 45.6 Ų | 45.6 | 56% | 0.562 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -64.4 | -22.2 | 175.4 | -69.6 | -64.2 | -173.5 | -179.8 | -0.3 | 113.3 | Y136 | R88-Y136 HydrophobicContact CG-CE1 4.49Š|
| 89 | L | 96.6 | Very high | 97.7 | Very high | 121 Ų | 121 | 45.3 Ų | 45.3 | 63% | 0.634 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -129.7 | 147.3 | -179.9 | -61.8 | 175.5 | 0 | 0 | 0 | 110.2 | S87 | S87-L89 WeakPolarHBondContact CB-O 3.43Å; S87-L89 PolarHBondContact O-N 3.38Å; S87-L89 PolarHBondContact OG-N 3.31Å; S87-L89 PolarHBondContact OG-O 3.12Å; S87-L89 VanDerWaalsContact OG-O 3.08Å |
| 90 | R | 98 | Very high | 97.7 | Very high | 33 Ų | 33 | 47 Ų | 47 | 13% | 0.125 | 24% | 0.244 | C | C | . | . | trans | -65.4 | 163.2 | 164.4 | -75.6 | 170.8 | 172.2 | -81.9 | -0.7 | 110.2 | T92 V95 A96 L97 P137 G138 D146 | R90-T92 PolarHBondContact O-N 2.78Å; R90-V95 VanDerWaalsContact CD-O 3.26Å; R90-V95 WeakPolarHBondContact CD-O 3.37Å; R90-V95 PolarHBondContact NH1-O 3.47Å; R90-A96 WeakPolarHBondContact CA-O 3.29Å; R90-A96 WeakPolarHBondContact CB-O 3.39Å; R90-L97 HydrophobicContact CG-CD2 4.32Å; R90-L97 VanDerWaalsContact CZ-CD2 3.41Å; R90-L97 VanDerWaalsContact NH2-CD2 3.34Å; R90-P137 HydrophobicContact CG-CB 3.9Å; R90-P137 HydrophobicContact CG-CG 4.3Å; R90-G138 PolarHBondContact NE-O 3.11Å; R90-G138 PolarHBondContact NH2-O 2.86Å; R90-D146 IonicContact CZ-OD1 3.63Å; R90-D146 IonicContact CZ-OD2 3.09Å; R90-D146 IonicContact NH1-OD1 2.66Å; R90-D146 PolarHBondContact NH1-OD1 3.2Å; R90-D146 IonicContact NH1-OD2 3.44Å; R90-D146 IonicContact NH2-OD1 3.01Å; R90-D146 PolarHBondContact NH2-OD1 2.86Å; R90-D146 IonicContact NH2-OD2 2.77Å; R90-D146 PolarHBondContact NH2-OD2 3.15Å | ||
| 91 | D | 97.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | trans | -57.8 | 131.5 | 172.6 | -176.5 | -92.7 | 0 | 0 | 0 | 110.8 | K93 T94 V95 A96 L98 | D91-K93 PolarHBondContact O-N 3.35Å; D91-K93 PolarHBondContact OD1-N 2.74Å; D91-T94 VanDerWaalsContact CB-OG1 3.24Å; D91-T94 WeakPolarHBondContact CB-OG1 3.23Å; D91-T94 PolarHBondContact OD1-N 3.44Å; D91-T94 PolarHBondContact OD1-OG1 3.26Å; D91-V95 WeakPolarHBondContact O-CA 2.94Å; D91-V95 PolarHBondContact O-N 3.1Å; D91-A96 PolarHBondContact N-O 3.38Å; D91-L98 HydrophobicContact CB-CD1 3.78Å; D91-L98 HydrophobicContact CB-CD2 4.18Å; D91-L98 HydrophobicContact CB-CG 3.96Å | ||
| 92 | T | 96.8 | Very high | 97.4 | Very high | 130 Ų | 130 | 56.2 Ų | 56.2 | 80% | 0.798 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -14.5 | -172 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | R90 | R90-T92 PolarHBondContact O-N 2.78Š|
| 93 | K | 97.1 | Very high | 97.3 | Very high | 191 Ų | 191 | 56.4 Ų | 56.4 | 83% | 0.83 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -48.5 | -179.6 | -65.2 | -179.6 | 179.1 | 178.1 | 0 | 111.9 | D91 | D91-K93 PolarHBondContact O-N 3.35Å; D91-K93 PolarHBondContact OD1-N 2.74Å |
| 94 | T | 97 | Very high | 97.3 | Very high | 80 Ų | 80 | 56.5 Ų | 56.5 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -11.8 | -172.9 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | D91 A96 | D91-T94 VanDerWaalsContact CB-OG1 3.24Å; D91-T94 WeakPolarHBondContact CB-OG1 3.23Å; D91-T94 PolarHBondContact OD1-N 3.44Å; D91-T94 PolarHBondContact OD1-OG1 3.26Å; T94-A96 PolarHBondContact O-N 3.26Å; T94-A96 PolarHBondContact OG1-N 3.2Å |
| 95 | V | 97.6 | Very high | 97.3 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 38% | 0.376 | 34% | 0.34 | S | S | . | . | trans | 55.3 | 14.9 | -172.4 | -58.7 | 0 | 0 | 0 | 0 | 114.6 | R90 D91 F142 L145 | R90-V95 VanDerWaalsContact CD-O 3.26Å; R90-V95 WeakPolarHBondContact CD-O 3.37Å; R90-V95 PolarHBondContact NH1-O 3.47Å; D91-V95 WeakPolarHBondContact O-CA 2.94Å; D91-V95 PolarHBondContact O-N 3.1Å; V95-F142 HydrophobicContact CB-CD1 4.48Å; V95-F142 HydrophobicContact CB-CE1 4.03Å; V95-F142 HydrophobicContact CG2-CD1 4Å; V95-F142 HydrophobicContact CG2-CE1 3.76Å; V95-L145 HydrophobicContact CG2-CD2 3.76Å | ||
| 96 | A | 97.7 | Very high | 97.3 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | trans | -68.4 | 152.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R90 D91 T94 | R90-A96 WeakPolarHBondContact CA-O 3.29Å; R90-A96 WeakPolarHBondContact CB-O 3.39Å; D91-A96 PolarHBondContact N-O 3.38Å; T94-A96 PolarHBondContact O-N 3.26Å; T94-A96 PolarHBondContact OG1-N 3.2Å | ||
| 97 | L | 98.2 | Very high | 97.3 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | trans | -62.2 | 137.1 | 167.7 | -68 | 173.4 | 0 | 0 | 0 | 109.6 | W85 L86 R90 I126 P137 D146 W153 | W85-L97 HydrophobicContact CH2-CB 4.25Å; L86-L97 HydrophobicContact CD1-CD2 4.44Å; L86-L97 HydrophobicContact CD2-CB 3.9Å; L86-L97 HydrophobicContact CD2-CD1 4.42Å; L86-L97 HydrophobicContact CD2-CD2 3.69Å; L86-L97 HydrophobicContact CD2-CG 4.21Å; R90-L97 HydrophobicContact CG-CD2 4.32Å; R90-L97 VanDerWaalsContact CZ-CD2 3.41Å; R90-L97 VanDerWaalsContact NH2-CD2 3.34Å; L97-I126 HydrophobicContact CD1-CG2 3.83Å; L97-P137 HydrophobicContact CD2-CB 4.24Å; L97-D146 HydrophobicContact CD1-CB 4.26Å; L97-W153 HydrophobicContact CB-CH2 4.24Å; L97-W153 WeakPolarHBondContact O-CH2 3.49Å; L97-W153 WeakPolarHBondContact O-CZ2 3.27Å | ||
| 98 | L | 97.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | trans | -119.5 | 134.7 | 175.9 | -68.2 | 178 | 0 | 0 | 0 | 109.4 | L86 S87 D91 | L86-L98 CarbonylContact C-O 3.58Å; L86-L98 WeakPolarHBondContact CA-O 3.45Å; S87-L98 WeakPolarHBondContact CB-O 3.42Å; S87-L98 PolarHBondContact N-O 3.26Å; D91-L98 HydrophobicContact CB-CD1 3.78Å; D91-L98 HydrophobicContact CB-CD2 4.18Å; D91-L98 HydrophobicContact CB-CG 3.96Å | ||
| 99 | P | 98.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -67.8 | 156.3 | 163.9 | 32 | -34.8 | 0 | 0 | 0 | 110.1 | W85 S101 F104 M108 | W85-P99 HydrophobicContact CE3-CB 3.81Å; W85-P99 HydrophobicContact CZ3-CB 3.87Å; P99-S101 PolarHBondContact O-N 2.98Å; P99-S101 VanDerWaalsContact O-N 3.1Å; P99-F104 HydrophobicContact CB-CB 4.04Å; P99-F104 HydrophobicContact CB-CD2 4.5Å; P99-M108 HydrophobicContact CB-CE 3.49Å; P99-M108 VanDerWaalsContact CB-CE 3.49Å; P99-M108 HydrophobicContact CB-CG 3.99Å; P99-M108 HydrophobicContact CB-SD 4.36Å; P99-M108 HydrophobicContact CG-CE 4.21Å; P99-M108 HydrophobicContact CG-CG 4.15Å |
| 100 | D | 97.8 | Very high | 97.5 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 20% | 0.198 | 33% | 0.334 | C | S | . | . | trans | -65.1 | 112 | 171.5 | -176.2 | -46.4 | 0 | 0 | 0 | 110.5 | W85 S102 R103 F104 | W85-D100 PolarHBondContact O-N 3.02Å; D100-S102 PolarHBondContact O-N 3.25Å; D100-S102 VanDerWaalsContact O-N 3.16Å; D100-S102 WeakPolarHBondContact OD1-CB 3.23Å; D100-S102 PolarHBondContact OD1-N 3.07Å; D100-S102 PolarHBondContact OD1-OG 2.97Å; D100-R103 HydrophobicContact CB-CB 4.35Å; D100-R103 VanDerWaalsContact CB-CZ 3.49Å; D100-R103 PolarHBondContact O-N 2.95Å; D100-R103 VanDerWaalsContact O-N 3.11Å; D100-R103 PolarHBondContact OD1-N 3.1Å; D100-R103 IonicContact OD1-NE 3.83Å; D100-R103 IonicContact OD2-CZ 2.99Å; D100-R103 IonicContact OD2-NE 3.99Å; D100-R103 PolarHBondContact OD2-NE 2.72Å; D100-R103 IonicContact OD2-NH2 3.83Å; D100-R103 PolarHBondContact OD2-NH2 2.91Å; D100-R103 VanDerWaalsContact OD2-NH2 3.09Å; D100-F104 PolarHBondContact O-N 3.34Å | ||
| 101 | S | 96.6 | Very high | 97.5 | Very high | 99 Ų | 99 | 56.3 Ų | 56.3 | 69% | 0.692 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.5 | -175.1 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | P99 P105 | P99-S101 PolarHBondContact O-N 2.98Å; P99-S101 VanDerWaalsContact O-N 3.1Å; S101-P105 VanDerWaalsContact O-CA 3.29Å; S101-P105 WeakPolarHBondContact O-CA 3.25Å |
| 102 | S | 95.4 | Very high | 97.6 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 65% | 0.65 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -32.7 | 177.8 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | D100 | D100-S102 PolarHBondContact O-N 3.25Å; D100-S102 VanDerWaalsContact O-N 3.16Å; D100-S102 WeakPolarHBondContact OD1-CB 3.23Å; D100-S102 PolarHBondContact OD1-N 3.07Å; D100-S102 PolarHBondContact OD1-OG 2.97Å |
| 103 | R | 95.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 2% | 0.023 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -27.3 | -176.4 | -64.1 | -179.1 | -65.4 | 116.4 | -5.9 | 112.9 | V44 L54 N55 E56 C84 L86 D100 P105 | V44-R103 WeakPolarHBondContact O-CD 3.26Å; L54-R103 WeakPolarHBondContact O-CD 3.22Å; L54-R103 PolarHBondContact O-NH1 3.01Å; N55-R103 WeakPolarHBondContact CA-O 3.33Å; N55-R103 HydrophobicContact CB-CB 4.01Å; N55-R103 WeakPolarHBondContact CB-O 3.38Å; E56-R103 WeakPolarHBondContact CB-O 3.49Å; E56-R103 PolarHBondContact N-O 3.08Å; C84-R103 PolarHBondContact O-NH1 2.8Å; C84-R103 PolarHBondContact O-NH2 2.99Å; L86-R103 PolarHBondContact O-NH2 2.74Å; D100-R103 HydrophobicContact CB-CB 4.35Å; D100-R103 VanDerWaalsContact CB-CZ 3.49Å; D100-R103 PolarHBondContact O-N 2.95Å; D100-R103 VanDerWaalsContact O-N 3.11Å; D100-R103 PolarHBondContact OD1-N 3.1Å; D100-R103 IonicContact OD1-NE 3.83Å; D100-R103 IonicContact OD2-CZ 2.99Å; D100-R103 IonicContact OD2-NE 3.99Å; D100-R103 PolarHBondContact OD2-NE 2.72Å; D100-R103 IonicContact OD2-NH2 3.83Å; D100-R103 PolarHBondContact OD2-NH2 2.91Å; D100-R103 VanDerWaalsContact OD2-NH2 3.09Å; R103-P105 VanDerWaalsContact C-CD 3.41Å |
| 104 | F | 97.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | trans | -128.1 | 62.9 | 178 | -59 | -85.3 | 0 | 0 | 0 | 110.7 | L54 E56 I59 I81 W85 P99 D100 S106 G107 M108 L111 | L54-F104 HydrophobicContact CG-CZ 4.35Å; E56-F104 HydrophobicContact CB-CD1 3.81Å; E56-F104 HydrophobicContact CB-CE1 4.45Å; I59-F104 HydrophobicContact CG1-CE1 4.32Å; I81-F104 HydrophobicContact CD1-CE1 4.09Å; W85-F104 HydrophobicContact CB-CE2 3.81Å; W85-F104 HydrophobicContact CB-CZ 4.03Å; P99-F104 HydrophobicContact CB-CB 4.04Å; P99-F104 HydrophobicContact CB-CD2 4.5Å; D100-F104 PolarHBondContact O-N 3.34Å; F104-S106 PolarHBondContact O-N 3.29Å; F104-G107 PolarHBondContact O-N 2.93Å; F104-M108 HydrophobicContact CB-CE 3.41Å; F104-M108 VanDerWaalsContact CB-CE 3.41Å; F104-M108 HydrophobicContact CD1-CE 3.29Å; F104-M108 HydrophobicContact CD2-CE 3.97Å; F104-M108 HydrophobicContact CE1-CE 3.98Å; F104-M108 HydrophobicContact CG-CE 3.27Å; F104-L111 HydrophobicContact CD1-CD2 4.12Å; F104-L111 HydrophobicContact CE1-CD2 4.15Å | ||
| 105 | P | 97.1 | Very high | 97.9 | Very high | 99 Ų | 99 | 41.6 Ų | 41.6 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26 | -172.2 | 26.3 | -36.4 | 0 | 0 | 0 | 113.8 | E56 S101 R103 | E56-P105 WeakPolarHBondContact OE2-CD 3.15Å; S101-P105 VanDerWaalsContact O-CA 3.29Å; S101-P105 WeakPolarHBondContact O-CA 3.25Å; R103-P105 VanDerWaalsContact C-CD 3.41Å |
| 106 | S | 97.9 | Very high | 97.9 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -12.8 | 175.7 | 84.5 | 0 | 0 | 0 | 0 | 113.6 | E56 F104 N110 | E56-S106 VanDerWaalsContact OE1-CB 3.31Å; E56-S106 WeakPolarHBondContact OE1-CB 3.38Å; E56-S106 PolarHBondContact OE1-OG 3.49Å; E56-S106 WeakPolarHBondContact OE2-CB 3.32Å; E56-S106 PolarHBondContact OE2-N 2.9Å; E56-S106 PolarHBondContact OE2-OG 2.59Å; F104-S106 PolarHBondContact O-N 3.29Å; S106-N110 WeakPolarHBondContact O-CB 3.4Å; S106-N110 PolarHBondContact O-ND2 2.81Å; S106-N110 WeakPolarHBondContact OG-CB 3.43Å |
| 107 | G | 97.8 | Very high | 98 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | trans | 80 | 166.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F104 K109 N110 L111 | F104-G107 PolarHBondContact O-N 2.93Å; G107-K109 PolarHBondContact O-N 3.1Å; G107-N110 PolarHBondContact O-N 2.9Å; G107-L111 PolarHBondContact O-N 3.26Å | ||
| 108 | M | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -37.2 | -172.2 | -68.6 | -59.1 | 102 | 0 | 0 | 113.5 | W85 P99 F104 N110 L111 A112 F122 I124 W153 | W85-M108 HydrophobicContact CE3-CE 4.35Å; W85-M108 HydrophobicContact CE3-CG 4.04Å; W85-M108 HydrophobicContact CE3-SD 3.86Å; W85-M108 HydrophobicContact CZ3-CG 3.78Å; W85-M108 HydrophobicContact CZ3-SD 4.22Å; P99-M108 HydrophobicContact CB-CE 3.49Å; P99-M108 VanDerWaalsContact CB-CE 3.49Å; P99-M108 HydrophobicContact CB-CG 3.99Å; P99-M108 HydrophobicContact CB-SD 4.36Å; P99-M108 HydrophobicContact CG-CE 4.21Å; P99-M108 HydrophobicContact CG-CG 4.15Å; F104-M108 HydrophobicContact CB-CE 3.41Å; F104-M108 VanDerWaalsContact CB-CE 3.41Å; F104-M108 HydrophobicContact CD1-CE 3.29Å; F104-M108 HydrophobicContact CD2-CE 3.97Å; F104-M108 HydrophobicContact CE1-CE 3.98Å; F104-M108 HydrophobicContact CG-CE 3.27Å; M108-N110 PolarHBondContact O-N 2.99Å; M108-L111 HydrophobicContact CE-CD2 4.45Å; M108-L111 WeakPolarHBondContact O-CB 3.48Å; M108-L111 PolarHBondContact O-N 3.44Å; M108-A112 PolarHBondContact O-N 3.41Å; M108-F122 HydrophobicContact CB-CE1 4.34Å; M108-F122 HydrophobicContact SD-CZ 3.95Å; M108-I124 HydrophobicContact CG-CD1 4.26Å; M108-I124 HydrophobicContact SD-CD1 4.04Å; M108-W153 HydrophobicContact CB-CB 4.27Å; M108-W153 HydrophobicContact CB-CD2 3.51Å; M108-W153 HydrophobicContact CB-CE3 3.49Å; M108-W153 VanDerWaalsContact CB-CE3 3.49Å; M108-W153 HydrophobicContact CB-CG 3.88Å; M108-W153 HydrophobicContact CB-CH2 4.49Å; M108-W153 HydrophobicContact CB-CZ3 4.02Å; M108-W153 HydrophobicContact CG-CD2 4.15Å; M108-W153 HydrophobicContact CG-CE3 3.73Å; M108-W153 HydrophobicContact CG-CH2 4.11Å; M108-W153 HydrophobicContact CG-CZ2 4.49Å; M108-W153 HydrophobicContact CG-CZ3 3.72Å |
| 109 | K | 98.5 | Very high | 98 | Very high | 91 Ų | 91 | 49 Ų | 49 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 178.4 | -174.2 | 171.6 | -175 | 158 | 0 | 112.5 | G107 L111 A112 Q113 E152 W153 E154 | G107-K109 PolarHBondContact O-N 3.1Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 3.34Å; K109-A112 WeakPolarHBondContact O-CB 3.24Å; K109-A112 PolarHBondContact O-N 2.86Å; K109-Q113 WeakPolarHBondContact O-CG 3.43Å; K109-Q113 PolarHBondContact O-N 3.43Å; K109-E152 WeakPolarHBondContact CD-O 3.33Å; K109-E152 PolarHBondContact NZ-O 2.91Å; K109-W153 HydrophobicContact CB-CB 4.45Å; K109-W153 HydrophobicContact CB-CG 4.47Å; K109-E154 WeakPolarHBondContact CE-OE1 3.32Å |
| 110 | N | 98.7 | Very high | 98.1 | Very high | 81 Ų | 81 | 48 Ų | 48 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 178.6 | -75 | -23.3 | 0 | 0 | 0 | 111.4 | S106 G107 M108 Y114 | S106-N110 WeakPolarHBondContact O-CB 3.4Å; S106-N110 PolarHBondContact O-ND2 2.81Å; S106-N110 WeakPolarHBondContact OG-CB 3.43Å; G107-N110 PolarHBondContact O-N 2.9Å; M108-N110 PolarHBondContact O-N 2.99Å; N110-Y114 WeakPolarHBondContact O-CB 3.49Å; N110-Y114 PolarHBondContact O-N 2.85Å |
| 111 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 172.4 | -176.2 | 54.5 | 0 | 0 | 0 | 112 | E56 I59 K60 I81 F104 G107 M108 K109 Q113 Y114 L115 | E56-L111 HydrophobicContact CG-CD1 4.28Å; I59-L111 HydrophobicContact CB-CD1 4.31Å; I59-L111 HydrophobicContact CB-CD2 4.34Å; I59-L111 HydrophobicContact CG1-CD2 4.43Å; I59-L111 HydrophobicContact CG2-CD1 4.07Å; I59-L111 HydrophobicContact CG2-CD2 4.21Å; K60-L111 HydrophobicContact CG-CD1 4.06Å; I81-L111 HydrophobicContact CD1-CD2 3.51Å; F104-L111 HydrophobicContact CD1-CD2 4.12Å; F104-L111 HydrophobicContact CE1-CD2 4.15Å; G107-L111 PolarHBondContact O-N 3.26Å; M108-L111 HydrophobicContact CE-CD2 4.45Å; M108-L111 WeakPolarHBondContact O-CB 3.48Å; M108-L111 PolarHBondContact O-N 3.44Å; K109-L111 VanDerWaalsContact C-N 3.29Å; K109-L111 PolarHBondContact O-N 3.34Å; L111-Q113 PolarHBondContact O-N 2.92Å; L111-Y114 WeakPolarHBondContact O-CB 3.23Å; L111-Y114 PolarHBondContact O-N 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.17Å; L111-L115 PolarHBondContact O-N 2.93Å |
| 112 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M108 K109 Y114 L115 H116 F122 W153 E154 | M108-A112 PolarHBondContact O-N 3.41Å; K109-A112 WeakPolarHBondContact O-CB 3.24Å; K109-A112 PolarHBondContact O-N 2.86Å; A112-Y114 VanDerWaalsContact C-N 3.29Å; A112-Y114 PolarHBondContact O-N 2.76Å; A112-L115 WeakPolarHBondContact O-CB 3.24Å; A112-L115 PolarHBondContact O-N 3.5Å; A112-H116 PolarHBondContact O-N 3.39Å; A112-H116 PolarHBondContact O-ND1 3.4Å; A112-F122 HydrophobicContact CB-CB 4.09Å; A112-F122 HydrophobicContact CB-CD1 3.48Å; A112-F122 VanDerWaalsContact CB-CD1 3.48Å; A112-F122 HydrophobicContact CB-CE1 4.23Å; A112-F122 HydrophobicContact CB-CG 4.06Å; A112-W153 WeakPolarHBondContact CB-O 3.14Å; A112-E154 HydrophobicContact CB-CB 4.28Å |
| 113 | Q | 98.8 | Very high | 98.4 | Very high | 80 Ų | 80 | 39.5 Ų | 39.5 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -37 | 177.5 | -71 | 178 | -12 | 0 | 0 | 112.6 | K109 L111 H116 S117 E154 | K109-Q113 WeakPolarHBondContact O-CG 3.43Å; K109-Q113 PolarHBondContact O-N 3.43Å; L111-Q113 PolarHBondContact O-N 2.92Å; Q113-H116 PolarHBondContact O-N 2.98Å; Q113-S117 WeakPolarHBondContact O-CB 3.39Å; Q113-S117 PolarHBondContact O-N 2.86Å; Q113-E154 PolarHBondContact NE2-OE1 3.05Å; Q113-E154 VanDerWaalsContact NE2-OE1 3.15Å |
| 114 | Y | 98.9 | Very high | 98.5 | Very high | 57 Ų | 57 | 39.2 Ų | 39.2 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 171.9 | -177.3 | -95.4 | 0 | 0 | 0 | 111.7 | K60 A63 D64 N110 L111 A112 S117 K118 | K60-Y114 HydrophobicContact CB-CD1 4.26Å; K60-Y114 HydrophobicContact CB-CE1 3.61Å; K60-Y114 HydrophobicContact CD-CD1 4.15Å; K60-Y114 HydrophobicContact CD-CD2 4.26Å; K60-Y114 HydrophobicContact CD-CE1 4.04Å; K60-Y114 HydrophobicContact CD-CE2 4.15Å; K60-Y114 HydrophobicContact CD-CG 4.23Å; K60-Y114 HydrophobicContact CG-CD1 3.63Å; K60-Y114 HydrophobicContact CG-CE1 3.48Å; K60-Y114 VanDerWaalsContact CG-CE1 3.48Å; K60-Y114 HydrophobicContact CG-CE2 4.49Å; K60-Y114 HydrophobicContact CG-CG 4.19Å; A63-Y114 HydrophobicContact CB-CE1 4.35Å; D64-Y114 VanDerWaalsContact CG-OH 3.28Å; D64-Y114 PolarHBondContact OD1-OH 2.8Å; D64-Y114 PolarHBondContact OD2-OH 2.92Å; N110-Y114 WeakPolarHBondContact O-CB 3.49Å; N110-Y114 PolarHBondContact O-N 2.85Å; L111-Y114 WeakPolarHBondContact O-CB 3.23Å; L111-Y114 PolarHBondContact O-N 3.24Å; A112-Y114 VanDerWaalsContact C-N 3.29Å; A112-Y114 PolarHBondContact O-N 2.76Å; Y114-S117 PolarHBondContact O-N 2.93Å; Y114-S117 PolarHBondContact O-OG 3.14Å; Y114-K118 HydrophobicContact CD1-CD 4.46Å; Y114-K118 HydrophobicContact CE1-CD 3.93Å; Y114-K118 WeakPolarHBondContact OH-CE 3.35Å; Y114-K118 PolarHBondContact OH-NZ 2.82Å |
| 115 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 177.4 | -65.4 | 172.7 | 0 | 0 | 0 | 111.7 | A63 V79 L111 A112 S117 K118 N119 L120 F122 | A63-L115 HydrophobicContact CB-CD2 3.43Å; A63-L115 VanDerWaalsContact CB-CD2 3.43Å; V79-L115 HydrophobicContact CB-CD1 4.05Å; V79-L115 HydrophobicContact CB-CD2 4.06Å; V79-L115 HydrophobicContact CG1-CD1 4.24Å; V79-L115 HydrophobicContact CG1-CD2 4.13Å; V79-L115 HydrophobicContact CG2-CD2 4.01Å; L111-L115 WeakPolarHBondContact O-CG 3.17Å; L111-L115 PolarHBondContact O-N 2.93Å; A112-L115 WeakPolarHBondContact O-CB 3.24Å; A112-L115 PolarHBondContact O-N 3.5Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 3.25Å; L115-K118 WeakPolarHBondContact O-CA 3.01Å; L115-K118 WeakPolarHBondContact O-CB 3.36Å; L115-K118 PolarHBondContact O-N 3.01Å; L115-N119 PolarHBondContact O-N 2.87Å; L115-L120 HydrophobicContact CB-CB 4.24Å; L115-L120 HydrophobicContact CD2-CB 4.5Å; L115-L120 HydrophobicContact CD2-CD1 4.2Å; L115-L120 WeakPolarHBondContact O-CB 3.33Å; L115-L120 PolarHBondContact O-N 2.96Å; L115-F122 HydrophobicContact CD1-CB 3.81Å; L115-F122 HydrophobicContact CD1-CD2 3.54Å; L115-F122 HydrophobicContact CD1-CE2 4.47Å; L115-F122 HydrophobicContact CD1-CG 3.93Å |
| 116 | H | 98.9 | Very high | 98.6 | Very high | 45 Ų | 45 | 34.5 Ų | 34.5 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 176.5 | -60.9 | 153.7 | 0 | 0 | 0 | 112.1 | A112 Q113 K118 N119 L120 E154 D156 | A112-H116 PolarHBondContact O-N 3.39Å; A112-H116 PolarHBondContact O-ND1 3.4Å; Q113-H116 PolarHBondContact O-N 2.98Å; H116-K118 PolarHBondContact O-N 3.2Å; H116-N119 PolarHBondContact O-N 3.31Å; H116-L120 PolarHBondContact CD2-O 2.95Å; H116-E154 PolarHBondContact CE1-O 3.45Å; H116-E154 IonicContact CE1-OE2 2.71Å; H116-E154 IonicContact ND1-OE2 2.82Å; H116-E154 PolarHBondContact ND1-OE2 2.91Å; H116-E154 PolarHBondContact NE2-O 2.77Å; H116-D156 IonicContact CD2-OD2 2.64Å; H116-D156 IonicContact NE2-OD1 2.6Å; H116-D156 IonicContact NE2-OD2 2.94Å; H116-D156 PolarHBondContact NE2-OD2 2.84Å |
| 117 | S | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 32.6 Ų | 32.6 | 63% | 0.629 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.9 | 175.6 | 80.6 | 0 | 0 | 0 | 0 | 113.5 | Q113 Y114 L115 | Q113-S117 WeakPolarHBondContact O-CB 3.39Å; Q113-S117 PolarHBondContact O-N 2.86Å; Y114-S117 PolarHBondContact O-N 2.93Å; Y114-S117 PolarHBondContact O-OG 3.14Å; L115-S117 VanDerWaalsContact C-N 3.31Å; L115-S117 PolarHBondContact O-N 3.25Å |
| 118 | K | 98.7 | Very high | 98.6 | Very high | 44 Ų | 44 | 32.1 Ų | 32.1 | 19% | 0.191 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 5.9 | 178.1 | -71.8 | -178.3 | -167.1 | -72.3 | 0 | 113.8 | A63 D64 V67 R72 Y114 L115 H116 L120 | A63-K118 HydrophobicContact CB-CD 4.45Å; D64-K118 WeakPolarHBondContact OD1-CE 3.41Å; D64-K118 IonicContact OD1-NZ 2.78Å; D64-K118 PolarHBondContact OD1-NZ 3Å; V67-K118 HydrophobicContact CG2-CB 3.9Å; V67-K118 HydrophobicContact CG2-CD 4.33Å; V67-K118 HydrophobicContact CG2-CG 4.39Å; R72-K118 VanDerWaalsContact CD-O 3.24Å; R72-K118 WeakPolarHBondContact CD-O 3.31Å; R72-K118 PolarHBondContact NH1-O 3.35Å; Y114-K118 HydrophobicContact CD1-CD 4.46Å; Y114-K118 HydrophobicContact CE1-CD 3.93Å; Y114-K118 WeakPolarHBondContact OH-CE 3.35Å; Y114-K118 PolarHBondContact OH-NZ 2.82Å; L115-K118 WeakPolarHBondContact O-CA 3.01Å; L115-K118 WeakPolarHBondContact O-CB 3.36Å; L115-K118 PolarHBondContact O-N 3.01Å; H116-K118 PolarHBondContact O-N 3.2Å; K118-L120 HydrophobicContact CB-CD1 4.15Å; K118-L120 HydrophobicContact CB-CG 4.22Å; K118-L120 PolarHBondContact O-N 2.8Å |
| 119 | N | 98.6 | Very high | 98.6 | Very high | 119 Ų | 119 | 32 Ų | 32 | 64% | 0.636 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 33.8 | -170.3 | -60.3 | -36.7 | 0 | 0 | 0 | 112.8 | L115 H116 | L115-N119 PolarHBondContact O-N 2.87Å; H116-N119 PolarHBondContact O-N 3.31Å |
| 120 | L | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -101.7 | 165.4 | 167.8 | -62.7 | 170.8 | 0 | 0 | 0 | 109.3 | A63 L66 V67 R72 K77 V79 L115 H116 K118 | A63-L120 HydrophobicContact CB-CD1 3.7Å; L66-L120 HydrophobicContact CB-CD1 4.45Å; L66-L120 HydrophobicContact CB-CD2 4.39Å; V67-L120 HydrophobicContact CG2-CD1 4.2Å; V67-L120 HydrophobicContact CG2-CG 4.44Å; R72-L120 HydrophobicContact CB-CD2 4.05Å; R72-L120 HydrophobicContact CG-CD2 3.84Å; K77-L120 CarbonylContact O-C 3.54Å; K77-L120 WeakPolarHBondContact O-CA 3.35Å; K77-L120 WeakPolarHBondContact O-CB 3.22Å; K77-L120 WeakPolarHBondContact O-CD2 3.21Å; V79-L120 HydrophobicContact CG2-CB 4.38Å; V79-L120 HydrophobicContact CG2-CD1 4.04Å; L115-L120 HydrophobicContact CB-CB 4.24Å; L115-L120 HydrophobicContact CD2-CB 4.5Å; L115-L120 HydrophobicContact CD2-CD1 4.2Å; L115-L120 WeakPolarHBondContact O-CB 3.33Å; L115-L120 PolarHBondContact O-N 2.96Å; H116-L120 PolarHBondContact CD2-O 2.95Å; K118-L120 HydrophobicContact CB-CD1 4.15Å; K118-L120 HydrophobicContact CB-CG 4.22Å; K118-L120 PolarHBondContact O-N 2.8Å | ||
| 121 | L | 98.9 | Very high | 98.3 | Very high | 50 Ų | 50 | 29.4 Ų | 29.4 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.8 | -177.8 | -63.7 | 170.6 | 0 | 0 | 0 | 109.7 | K77 Y78 V79 D156 | K77-L121 HydrophobicContact CB-CD1 4.38Å; K77-L121 PolarHBondContact O-N 2.94Å; Y78-L121 CarbonylContact C-O 3.57Å; Y78-L121 WeakPolarHBondContact CA-O 3.32Å; Y78-L121 HydrophobicContact CD1-CB 3.63Å; Y78-L121 HydrophobicContact CD1-CD1 4.13Å; Y78-L121 HydrophobicContact CE1-CB 3.75Å; Y78-L121 HydrophobicContact CE1-CD1 3.56Å; Y78-L121 HydrophobicContact CE1-CG 4.3Å; Y78-L121 HydrophobicContact CE2-CD1 3.98Å; Y78-L121 HydrophobicContact CG-CB 4.28Å; Y78-L121 VanDerWaalsContact CZ-CD1 3.45Å; V79-L121 PolarHBondContact N-O 3.34Å; L121-D156 WeakPolarHBondContact CA-OD2 3.44Å; L121-D156 HydrophobicContact CB-CB 3.96Å; L121-D156 WeakPolarHBondContact CB-OD2 3.34Å; L121-D156 HydrophobicContact CD2-CB 4.25Å; L121-D156 WeakPolarHBondContact CD2-OD2 2.98Å |
| 122 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.5 | -174.8 | -179.2 | -142.4 | 0 | 0 | 0 | 112.2 | I81 M108 A112 L115 I124 V155 D156 Y157 | I81-F122 HydrophobicContact CD1-CE2 3.6Å; I81-F122 HydrophobicContact CD1-CZ 4.09Å; I81-F122 HydrophobicContact CG1-CE2 3.95Å; M108-F122 HydrophobicContact CB-CE1 4.34Å; M108-F122 HydrophobicContact SD-CZ 3.95Å; A112-F122 HydrophobicContact CB-CB 4.09Å; A112-F122 HydrophobicContact CB-CD1 3.48Å; A112-F122 VanDerWaalsContact CB-CD1 3.48Å; A112-F122 HydrophobicContact CB-CE1 4.23Å; A112-F122 HydrophobicContact CB-CG 4.06Å; L115-F122 HydrophobicContact CD1-CB 3.81Å; L115-F122 HydrophobicContact CD1-CD2 3.54Å; L115-F122 HydrophobicContact CD1-CE2 4.47Å; L115-F122 HydrophobicContact CD1-CG 3.93Å; F122-I124 HydrophobicContact CE1-CD1 4.41Å; F122-I124 HydrophobicContact CZ-CB 4.19Å; F122-I124 HydrophobicContact CZ-CD1 3.94Å; F122-I124 HydrophobicContact CZ-CG1 4.31Å; F122-V155 HydrophobicContact CD1-CB 4.39Å; F122-V155 HydrophobicContact CD1-CG2 3.69Å; F122-V155 HydrophobicContact CE1-CG2 3.66Å; F122-D156 PolarHBondContact N-OD2 2.01Å; F122-D156 WeakPolarHBondContact O-CA 3.21Å; F122-D156 WeakPolarHBondContact O-CB 3.49Å; F122-D156 PolarHBondContact O-N 2.84Å; F122-Y157 PolarHBondContact O-N 2.81Å |
| 123 | G | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 148.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V79 I80 I81 Y157 | V79-G123 PolarHBondContact O-N 2.98Å; I80-G123 CarbonylContact C-O 3.52Å; I80-G123 WeakPolarHBondContact CA-O 3.46Å; I81-G123 PolarHBondContact N-O 2.87Å; G123-Y157 CarbonylContact C-O 3.6Å; G123-Y157 WeakPolarHBondContact CA-O 3.38Å |
| 124 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.1 | -180 | -156.6 | 170.4 | 0 | 0 | 0 | 112 | I81 W85 M108 F122 L150 W153 V155 Y157 V158 K159 | I81-I124 CarbonylContact O-C 3.42Å; I81-I124 WeakPolarHBondContact O-CA 3.31Å; W85-I124 HydrophobicContact CD2-CD1 3.86Å; W85-I124 HydrophobicContact CD2-CG1 4.22Å; W85-I124 VanDerWaalsContact CE2-CD1 3.44Å; W85-I124 HydrophobicContact CE3-CD1 4.15Å; W85-I124 HydrophobicContact CH2-CD1 3.77Å; W85-I124 HydrophobicContact CZ2-CD1 3.39Å; W85-I124 HydrophobicContact CZ2-CG1 3.93Å; W85-I124 HydrophobicContact CZ3-CD1 4.11Å; M108-I124 HydrophobicContact CG-CD1 4.26Å; M108-I124 HydrophobicContact SD-CD1 4.04Å; F122-I124 HydrophobicContact CE1-CD1 4.41Å; F122-I124 HydrophobicContact CZ-CB 4.19Å; F122-I124 HydrophobicContact CZ-CD1 3.94Å; F122-I124 HydrophobicContact CZ-CG1 4.31Å; I124-L150 HydrophobicContact CG2-CD1 4.49Å; I124-L150 HydrophobicContact CG2-CD2 3.73Å; I124-W153 HydrophobicContact CD1-CE3 4.45Å; I124-W153 HydrophobicContact CD1-CZ3 4.25Å; I124-V155 HydrophobicContact CG2-CG1 3.74Å; I124-V155 HydrophobicContact CG2-CG2 3.96Å; I124-Y157 PolarHBondContact N-O 3.05Å; I124-V158 WeakPolarHBondContact O-CA 3.49Å; I124-K159 PolarHBondContact O-N 3.2Å |
| 125 | T | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.7 | 175.5 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | I81 D82 W85 K159 N161 | I81-T125 PolarHBondContact O-N 3.35Å; D82-T125 WeakPolarHBondContact CA-OG1 3.35Å; D82-T125 PolarHBondContact OD2-OG1 3.4Å; W85-T125 PolarHBondContact NE1-O 3.09Å; T125-K159 CarbonylContact C-O 3.56Å; T125-K159 VanDerWaalsContact CA-O 3.24Å; T125-K159 WeakPolarHBondContact CA-O 3.28Å; T125-K159 HydrophobicContact CG2-CB 4.4Å; T125-K159 HydrophobicContact CG2-CD 4.27Å; T125-K159 HydrophobicContact CG2-CG 4.09Å; T125-K159 WeakPolarHBondContact OG1-CB 3.44Å; T125-K159 WeakPolarHBondContact OG1-CD 3.48Å; T125-N161 HydrophobicContact CG2-CB 4.5Å; T125-N161 VanDerWaalsContact CG2-ND2 3.31Å; T125-N161 WeakPolarHBondContact CG2-ND2 3.43Å |
| 126 | I | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 164 | 169.2 | 54.7 | 161.9 | 0 | 0 | 0 | 110.2 | W85 L97 L150 V158 K159 M160 N161 F177 | W85-I126 HydrophobicContact CZ2-CG2 4.18Å; L97-I126 HydrophobicContact CD1-CG2 3.83Å; I126-L150 HydrophobicContact CD1-CD1 4.1Å; I126-V158 HydrophobicContact CD1-CG1 4.2Å; I126-V158 HydrophobicContact CG1-CG1 3.94Å; I126-K159 PolarHBondContact N-O 3.07Å; I126-M160 HydrophobicContact CD1-CE 3.35Å; I126-M160 HydrophobicContact CD1-SD 3.65Å; I126-M160 HydrophobicContact CG1-CE 3.95Å; I126-M160 HydrophobicContact CG1-SD 3.64Å; I126-M160 CarbonylContact O-C 3.42Å; I126-M160 WeakPolarHBondContact O-CA 3.4Å; I126-N161 PolarHBondContact O-N 3.02Å; I126-F177 HydrophobicContact CD1-CE1 3.91Å; I126-F177 HydrophobicContact CD1-CE2 4.11Å; I126-F177 HydrophobicContact CD1-CZ 3.45Å; I126-F177 VanDerWaalsContact CD1-CZ 3.45Å |
| 127 | G | 97.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | G138 S139 M160 | G127-G138 CarbonylContact O-C 3.46Å; G127-G138 WeakPolarHBondContact O-CA 3.35Å; G127-S139 WeakPolarHBondContact O-CB 3.43Å; G127-S139 PolarHBondContact O-N 3.22Å; G127-S139 PolarHBondContact O-OG 3.46Å; G127-M160 VanDerWaalsContact C-SD 3.55Å |
| 128 | Y | 98 | Very high | 97.8 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -68.5 | -41.8 | 174.5 | 172.5 | -118.8 | 0 | 0 | 0 | 111.4 | M140 L143 M160 N161 S165 M169 M170 G173 F174 | Y128-M140 HydrophobicContact CD1-CE 3.71Å; Y128-M140 HydrophobicContact CE1-CE 3.25Å; Y128-M140 HydrophobicContact CE2-CE 4.23Å; Y128-M140 HydrophobicContact CE2-CG 4.07Å; Y128-M140 HydrophobicContact CG-CE 4.36Å; Y128-M140 WeakPolarHBondContact O-CA 3.48Å; Y128-M140 WeakPolarHBondContact O-CB 3.38Å; Y128-M140 PolarHBondContact O-N 3.11Å; Y128-L143 HydrophobicContact CD2-CD2 4.14Å; Y128-L143 HydrophobicContact CE2-CD1 4.31Å; Y128-L143 HydrophobicContact CE2-CD2 4.36Å; Y128-M160 WeakPolarHBondContact CA-SD 3.44Å; Y128-M160 PolarHBondContact N-SD 2.97Å; Y128-N161 WeakPolarHBondContact CB-O 3.44Å; Y128-N161 PolarHBondContact N-O 3.02Å; Y128-S165 WeakPolarHBondContact CD1-OG 3.32Å; Y128-M169 PolarHBondContact OH-O 3.24Å; Y128-M169 VanDerWaalsContact OH-O 3.07Å; Y128-M170 HydrophobicContact CD1-CB 4.38Å; Y128-M170 HydrophobicContact CD1-CG 3.91Å; Y128-M170 HydrophobicContact CE1-CB 4.17Å; Y128-M170 HydrophobicContact CE1-CG 3.84Å; Y128-G173 VanDerWaalsContact CE2-CA 3.49Å; Y128-G173 WeakPolarHBondContact OH-CA 3.4Å; Y128-F174 HydrophobicContact CD1-CD2 4.25Å; Y128-F174 AromaticContact CD1-CE2 3.82Å; Y128-F174 HydrophobicContact CD1-CE2 3.82Å; Y128-F174 HydrophobicContact CD2-CD2 4.41Å; Y128-F174 HydrophobicContact CD2-CE2 4.39Å; Y128-F174 HydrophobicContact CG-CD2 4.08Å; Y128-F174 AromaticContact CG-CE2 3.66Å; Y128-F174 HydrophobicContact CG-CE2 3.66Å |
| 129 | G | 96.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -65.6 | -162.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G131 G138 S139 C163 N164 S165 | G129-G131 PolarHBondContact O-N 3.2Å; G129-G138 CarbonylContact O-C 3.52Å; G129-G138 VanDerWaalsContact O-CA 3.22Å; G129-G138 WeakPolarHBondContact O-CA 3.26Å; G129-S139 PolarHBondContact O-N 3Å; G129-C163 WeakPolarHBondContact CA-O 3.42Å; G129-N164 WeakPolarHBondContact CA-O 3.37Å; G129-S165 WeakPolarHBondContact CA-OG 3.48Å; G129-S165 PolarHBondContact N-OG 3.46Å |
| 130 | T | 96.2 | Very high | 97.7 | Very high | 109 Ų | 109 | 18.7 Ų | 18.7 | 67% | 0.669 | 13% | 0.127 | S | C | * | . | S | Bend | trans | -68.2 | -22.3 | 169.7 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | G138 N164 | T130-G138 PolarHBondContact O-N 3.3Å; T130-N164 PolarHBondContact N-O 2.76Å |
| 131 | G | 96.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 25 Ų | 25 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -153.1 | 159.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G129 Y136 N164 | G129-G131 PolarHBondContact O-N 3.2Å; G131-Y136 CarbonylContact C-O 3.12Å; G131-Y136 WeakPolarHBondContact CA-O 3.34Å; G131-N164 PolarHBondContact O-ND2 3.48Å |
| 132 | T | 97.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | trans | -65.4 | 171.1 | 168.7 | 77 | 0 | 0 | 0 | 0 | 111.2 | D83 L86 A134 G135 Y136 N164 | D83-T132 VanDerWaalsContact CG-OG1 3.24Å; D83-T132 WeakPolarHBondContact OD1-CB 3.48Å; D83-T132 PolarHBondContact OD1-OG1 3.38Å; D83-T132 VanDerWaalsContact OD2-CB 3.23Å; D83-T132 WeakPolarHBondContact OD2-CB 3.45Å; D83-T132 PolarHBondContact OD2-OG1 3.38Å; L86-T132 HydrophobicContact CD1-CG2 3.94Å; T132-A134 PolarHBondContact O-N 2.84Å; T132-A134 PolarHBondContact OG1-N 2.92Å; T132-G135 PolarHBondContact O-N 2.98Å; T132-Y136 PolarHBondContact N-O 3.12Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.25Å; T132-Y136 PolarHBondContact OG1-N 3.11Å; T132-Y136 VanDerWaalsContact OG1-N 3.09Å; T132-N164 PolarHBondContact O-ND2 3.06Å | ||
| 133 | C | 96.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 25.9 Ų | 25.9 | 39% | 0.385 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31.4 | 179.1 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | D83 G135 C163 | D83-C133 PolarHBondContact OD2-N 2.89Å; D83-C133 VanDerWaalsContact OD2-N 3.16Å; C133-G135 VanDerWaalsContact C-N 3.32Å; C133-C163 WeakPolarHBondContact CA-SG 3.42Å; C133-C163 HydrophobicContact CB-CB 3.84Å; C133-C163 WeakPolarHBondContact CB-SG 3.23Å; C133-C163 WeakPolarHBondContact SG-CB 3.43Å; C133-C163 CovalentContact SG-SG 2.03Å; C133-C163 PolarHBondContact SG-SG 3.17Å |
| 134 | A | 96.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 27% | 0.273 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 9.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D83 C84 T132 Y136 | D83-A134 WeakPolarHBondContact OD2-CB 3.19Å; D83-A134 PolarHBondContact OD2-N 3Å; C84-A134 WeakPolarHBondContact SG-CB 3.42Å; T132-A134 PolarHBondContact O-N 2.84Å; T132-A134 PolarHBondContact OG1-N 2.92Å; A134-Y136 HydrophobicContact CB-CD2 3.87Å; A134-Y136 HydrophobicContact CB-CE2 3.91Å |
| 135 | G | 96.7 | Very high | 97.5 | Very high | 52 Ų | 52 | 33.6 Ų | 33.6 | 54% | 0.536 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 76.2 | 27.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T132 C133 | T132-G135 PolarHBondContact O-N 2.98Å; C133-G135 VanDerWaalsContact C-N 3.32Å |
| 136 | Y | 98 | Very high | 97.5 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -88.3 | 166 | 168 | -68.3 | -92.4 | 0 | 0 | 0 | 110.6 | C84 L86 R88 G131 T132 A134 G138 | C84-Y136 HydrophobicContact CB-CD2 4.41Å; C84-Y136 HydrophobicContact CB-CE2 3.65Å; C84-Y136 VanDerWaalsContact SG-CE2 3.6Å; L86-Y136 HydrophobicContact CB-CD1 3.71Å; L86-Y136 HydrophobicContact CB-CG 4.04Å; L86-Y136 VanDerWaalsContact O-CD1 3.27Å; L86-Y136 WeakPolarHBondContact O-CD1 3.33Å; L86-Y136 WeakPolarHBondContact O-CE1 3.45Å; R88-Y136 HydrophobicContact CG-CE1 4.49Å; G131-Y136 CarbonylContact C-O 3.12Å; G131-Y136 WeakPolarHBondContact CA-O 3.34Å; T132-Y136 PolarHBondContact N-O 3.12Å; T132-Y136 WeakPolarHBondContact OG1-CB 3.25Å; T132-Y136 PolarHBondContact OG1-N 3.11Å; T132-Y136 VanDerWaalsContact OG1-N 3.09Å; A134-Y136 HydrophobicContact CB-CD2 3.87Å; A134-Y136 HydrophobicContact CB-CE2 3.91Å; Y136-G138 PolarHBondContact O-N 3.17Å | ||
| 137 | P | 98.2 | Very high | 97.5 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 14% | 0.143 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -53.5 | 131.7 | -178.1 | -28.5 | 36.3 | 0 | 0 | 0 | 113.5 | S87 R90 L97 | S87-P137 WeakPolarHBondContact O-CD 3.45Å; R90-P137 HydrophobicContact CG-CB 3.9Å; R90-P137 HydrophobicContact CG-CG 4.3Å; L97-P137 HydrophobicContact CD2-CB 4.24Å |
| 138 | G | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | trans | -95.6 | 177.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R90 G127 G129 T130 Y136 | R90-G138 PolarHBondContact NE-O 3.11Å; R90-G138 PolarHBondContact NH2-O 2.86Å; G127-G138 CarbonylContact O-C 3.46Å; G127-G138 WeakPolarHBondContact O-CA 3.35Å; G129-G138 CarbonylContact O-C 3.52Å; G129-G138 VanDerWaalsContact O-CA 3.22Å; G129-G138 WeakPolarHBondContact O-CA 3.26Å; T130-G138 PolarHBondContact O-N 3.3Å; Y136-G138 PolarHBondContact O-N 3.17Å | ||
| 139 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -116.8 | -2.4 | -161.7 | -42.6 | 0 | 0 | 0 | 0 | 114.4 | G127 G129 D141 F142 L143 D146 | G127-S139 WeakPolarHBondContact O-CB 3.43Å; G127-S139 PolarHBondContact O-N 3.22Å; G127-S139 PolarHBondContact O-OG 3.46Å; G129-S139 PolarHBondContact O-N 3Å; S139-D141 VanDerWaalsContact C-N 3.27Å; S139-D141 PolarHBondContact O-N 2.98Å; S139-D141 VanDerWaalsContact O-N 3.13Å; S139-F142 CarbonylContact O-C 3.56Å; S139-F142 PolarHBondContact O-N 2.8Å; S139-L143 VanDerWaalsContact O-CD2 3.3Å; S139-L143 WeakPolarHBondContact O-CD2 3.39Å; S139-L143 WeakPolarHBondContact O-CG 3.33Å; S139-L143 PolarHBondContact O-N 3.12Å; S139-D146 WeakPolarHBondContact CA-OD2 3.41Å; S139-D146 WeakPolarHBondContact CB-OD2 3.49Å; S139-D146 PolarHBondContact OG-OD2 3.5Å | ||
| 140 | M | 96 | Very high | 97.7 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -43.2 | -169 | -163.2 | 167.9 | -74.5 | 0 | 0 | 113.5 | Y128 P166 M169 | Y128-M140 HydrophobicContact CD1-CE 3.71Å; Y128-M140 HydrophobicContact CE1-CE 3.25Å; Y128-M140 HydrophobicContact CE2-CE 4.23Å; Y128-M140 HydrophobicContact CE2-CG 4.07Å; Y128-M140 HydrophobicContact CG-CE 4.36Å; Y128-M140 WeakPolarHBondContact O-CA 3.48Å; Y128-M140 WeakPolarHBondContact O-CB 3.38Å; Y128-M140 PolarHBondContact O-N 3.11Å; M140-P166 VanDerWaalsContact CE-CD 3.42Å; M140-P166 HydrophobicContact CE-CG 4.27Å; M140-P166 HydrophobicContact SD-CG 4.43Å; M140-M169 HydrophobicContact SD-SD 4.31Å |
| 141 | D | 96.1 | Very high | 97.8 | Very high | 134 Ų | 134 | 33.9 Ų | 33.9 | 72% | 0.717 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -2.8 | -178.6 | -58.2 | -47.1 | 0 | 0 | 0 | 113.2 | S139 | S139-D141 VanDerWaalsContact C-N 3.27Å; S139-D141 PolarHBondContact O-N 2.98Å; S139-D141 VanDerWaalsContact O-N 3.13Å |
| 142 | F | 98 | Very high | 97.9 | Very high | 63 Ų | 63 | 39.5 Ų | 39.5 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 14.1 | -170.7 | -54.8 | -74.3 | 0 | 0 | 0 | 113.5 | V95 S139 E144 L145 D146 | V95-F142 HydrophobicContact CB-CD1 4.48Å; V95-F142 HydrophobicContact CB-CE1 4.03Å; V95-F142 HydrophobicContact CG2-CD1 4Å; V95-F142 HydrophobicContact CG2-CE1 3.76Å; S139-F142 CarbonylContact O-C 3.56Å; S139-F142 PolarHBondContact O-N 2.8Å; F142-E144 VanDerWaalsContact C-N 3.3Å; F142-E144 PolarHBondContact O-N 2.99Å; F142-E144 VanDerWaalsContact O-N 3.1Å; F142-L145 HydrophobicContact CD1-CD2 4.48Å; F142-L145 WeakPolarHBondContact O-CB 3.3Å; F142-L145 PolarHBondContact O-N 3.43Å; F142-D146 PolarHBondContact O-N 3.4Å |
| 143 | L | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 41.1 Ų | 41.1 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -49.4 | -43.3 | -172.1 | -66 | 179.4 | 0 | 0 | 0 | 114.6 | Y128 S139 A147 M160 K176 F177 L180 | Y128-L143 HydrophobicContact CD2-CD2 4.14Å; Y128-L143 HydrophobicContact CE2-CD1 4.31Å; Y128-L143 HydrophobicContact CE2-CD2 4.36Å; S139-L143 VanDerWaalsContact O-CD2 3.3Å; S139-L143 WeakPolarHBondContact O-CD2 3.39Å; S139-L143 WeakPolarHBondContact O-CG 3.33Å; S139-L143 PolarHBondContact O-N 3.12Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 3.41Å; L143-M160 HydrophobicContact CD2-CE 4.3Å; L143-K176 HydrophobicContact CD1-CB 4.45Å; L143-K176 HydrophobicContact CD1-CD 4.01Å; L143-K176 HydrophobicContact CD1-CG 4.25Å; L143-F177 HydrophobicContact CB-CD2 4.03Å; L143-F177 HydrophobicContact CD2-CB 4.25Å; L143-F177 HydrophobicContact CD2-CD2 3.75Å; L143-F177 HydrophobicContact CD2-CE2 4.49Å; L143-F177 HydrophobicContact CD2-CG 4.26Å; L143-F177 HydrophobicContact CG-CD2 4.42Å; L143-F177 WeakPolarHBondContact O-CE2 3.36Å; L143-L180 HydrophobicContact CB-CD1 3.65Å |
| 144 | E | 98.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -71.2 | -42.4 | -179.4 | 178.9 | 176.5 | 172.4 | 0 | 0 | 111.9 | F142 D146 K148 L180 | F142-E144 VanDerWaalsContact C-N 3.3Å; F142-E144 PolarHBondContact O-N 2.99Å; F142-E144 VanDerWaalsContact O-N 3.1Å; E144-D146 VanDerWaalsContact C-N 3.35Å; E144-K148 HydrophobicContact CG-CD 4.32Å; E144-K148 WeakPolarHBondContact O-CG 3.22Å; E144-K148 PolarHBondContact O-N 3.06Å; E144-K148 VanDerWaalsContact O-N 3.12Å; E144-K148 IonicContact OE1-NZ 2.8Å; E144-K148 PolarHBondContact OE1-NZ 3.13Å; E144-L180 HydrophobicContact CB-CD1 4.11Å; E144-L180 HydrophobicContact CB-CD2 3.83Å; E144-L180 HydrophobicContact CG-CD2 3.89Å |
| 145 | L | 98.6 | Very high | 98.2 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.4 | 174.7 | 62.6 | 0 | 0 | 0 | 110.7 | V95 F142 K148 T149 | V95-L145 HydrophobicContact CG2-CD2 3.76Å; F142-L145 HydrophobicContact CD1-CD2 4.48Å; F142-L145 WeakPolarHBondContact O-CB 3.3Å; F142-L145 PolarHBondContact O-N 3.43Å; L145-K148 PolarHBondContact O-N 2.89Å; L145-T149 WeakPolarHBondContact O-CB 3.41Å; L145-T149 PolarHBondContact O-N 3.12Å; L145-T149 PolarHBondContact O-OG1 3.47Å |
| 146 | D | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | -178.4 | -65.5 | -18.3 | 0 | 0 | 0 | 110.4 | R90 L97 S139 F142 E144 K148 T149 L150 | R90-D146 IonicContact CZ-OD1 3.63Å; R90-D146 IonicContact CZ-OD2 3.09Å; R90-D146 IonicContact NH1-OD1 2.66Å; R90-D146 PolarHBondContact NH1-OD1 3.2Å; R90-D146 IonicContact NH1-OD2 3.44Å; R90-D146 IonicContact NH2-OD1 3.01Å; R90-D146 PolarHBondContact NH2-OD1 2.86Å; R90-D146 IonicContact NH2-OD2 2.77Å; R90-D146 PolarHBondContact NH2-OD2 3.15Å; L97-D146 HydrophobicContact CD1-CB 4.26Å; S139-D146 WeakPolarHBondContact CA-OD2 3.41Å; S139-D146 WeakPolarHBondContact CB-OD2 3.49Å; S139-D146 PolarHBondContact OG-OD2 3.5Å; F142-D146 PolarHBondContact O-N 3.4Å; E144-D146 VanDerWaalsContact C-N 3.35Å; D146-K148 VanDerWaalsContact C-N 3.32Å; D146-K148 PolarHBondContact O-N 3.11Å; D146-T149 WeakPolarHBondContact O-CB 3.3Å; D146-T149 PolarHBondContact O-N 2.83Å; D146-T149 VanDerWaalsContact O-N 3.16Å; D146-L150 VanDerWaalsContact O-CG 3.26Å; D146-L150 WeakPolarHBondContact O-CG 3.29Å; D146-L150 PolarHBondContact O-N 3.34Å |
| 147 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.1 | -45.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L143 L150 A151 F177 L180 L181 T184 | L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 3.41Å; A147-L150 PolarHBondContact O-N 3.14Å; A147-A151 PolarHBondContact O-N 2.86Å; A147-A151 VanDerWaalsContact O-N 3.12Å; A147-F177 HydrophobicContact CB-CD2 4.46Å; A147-F177 HydrophobicContact CB-CE2 3.87Å; A147-F177 HydrophobicContact CB-CZ 4.43Å; A147-L180 HydrophobicContact CB-CB 3.87Å; A147-L181 HydrophobicContact CB-CD2 4.22Å; A147-T184 HydrophobicContact CB-CG2 4.25Å |
| 148 | K | 98.7 | Very high | 98.4 | Very high | 101 Ų | 101 | 36.2 Ų | 36.2 | 44% | 0.439 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.4 | -73.5 | 169.6 | 174 | 168.5 | 0 | 111.8 | E144 L145 D146 L150 A151 E152 | E144-K148 HydrophobicContact CG-CD 4.32Å; E144-K148 WeakPolarHBondContact O-CG 3.22Å; E144-K148 PolarHBondContact O-N 3.06Å; E144-K148 VanDerWaalsContact O-N 3.12Å; E144-K148 IonicContact OE1-NZ 2.8Å; E144-K148 PolarHBondContact OE1-NZ 3.13Å; L145-K148 PolarHBondContact O-N 2.89Å; D146-K148 VanDerWaalsContact C-N 3.32Å; D146-K148 PolarHBondContact O-N 3.11Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.41Å; K148-A151 PolarHBondContact O-N 3.46Å; K148-E152 WeakPolarHBondContact O-CG 3.16Å; K148-E152 PolarHBondContact O-N 2.99Å |
| 149 | T | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | L145 D146 A151 E152 W153 | L145-T149 WeakPolarHBondContact O-CB 3.41Å; L145-T149 PolarHBondContact O-N 3.12Å; L145-T149 PolarHBondContact O-OG1 3.47Å; D146-T149 WeakPolarHBondContact O-CB 3.3Å; D146-T149 PolarHBondContact O-N 2.83Å; D146-T149 VanDerWaalsContact O-N 3.16Å; T149-A151 PolarHBondContact O-N 3.42Å; T149-E152 PolarHBondContact O-N 2.93Å; T149-W153 HydrophobicContact CG2-CD2 3.99Å; T149-W153 HydrophobicContact CG2-CE3 4.21Å; T149-W153 HydrophobicContact CG2-CH2 3.72Å; T149-W153 HydrophobicContact CG2-CZ2 3.47Å; T149-W153 VanDerWaalsContact CG2-CZ2 3.47Å; T149-W153 HydrophobicContact CG2-CZ3 4.08Å; T149-W153 PolarHBondContact O-N 3.4Å |
| 150 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.3 | -62.9 | -176.9 | 0 | 0 | 0 | 112 | I124 I126 D146 A147 K148 W153 E154 V155 V158 F177 M188 | I124-L150 HydrophobicContact CG2-CD1 4.49Å; I124-L150 HydrophobicContact CG2-CD2 3.73Å; I126-L150 HydrophobicContact CD1-CD1 4.1Å; D146-L150 VanDerWaalsContact O-CG 3.26Å; D146-L150 WeakPolarHBondContact O-CG 3.29Å; D146-L150 PolarHBondContact O-N 3.34Å; A147-L150 PolarHBondContact O-N 3.14Å; K148-L150 VanDerWaalsContact C-N 3.33Å; K148-L150 PolarHBondContact O-N 3.41Å; L150-W153 HydrophobicContact CD2-CE3 4.11Å; L150-W153 HydrophobicContact CD2-CZ3 4.18Å; L150-W153 PolarHBondContact O-N 3.07Å; L150-E154 PolarHBondContact O-N 2.63Å; L150-V155 HydrophobicContact CB-CB 4.25Å; L150-V155 HydrophobicContact CB-CG2 4.22Å; L150-V155 HydrophobicContact CD2-CG2 4.23Å; L150-V155 WeakPolarHBondContact O-CB 3.48Å; L150-V155 WeakPolarHBondContact O-CG2 3.48Å; L150-V155 PolarHBondContact O-N 2.82Å; L150-V158 HydrophobicContact CD1-CB 4.46Å; L150-V158 HydrophobicContact CD1-CG1 3.83Å; L150-V158 HydrophobicContact CD1-CG2 3.72Å; L150-F177 HydrophobicContact CD1-CZ 4.07Å; L150-M188 HydrophobicContact CB-SD 4.24Å |
| 151 | A | 98.7 | Very high | 98.4 | Very high | 19 Ų | 19 | 35.4 Ų | 35.4 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A147 K148 T149 W153 E154 T184 R186 M188 | A147-A151 PolarHBondContact O-N 2.86Å; A147-A151 VanDerWaalsContact O-N 3.12Å; K148-A151 PolarHBondContact O-N 3.46Å; T149-A151 PolarHBondContact O-N 3.42Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 3.32Å; A151-E154 WeakPolarHBondContact O-CA 3.3Å; A151-E154 PolarHBondContact O-N 3.38Å; A151-T184 HydrophobicContact CB-CG2 3.83Å; A151-R186 HydrophobicContact CB-CB 4.17Å; A151-M188 HydrophobicContact CB-CE 4Å |
| 152 | E | 98.5 | Very high | 98.3 | Very high | 126 Ų | 126 | 29.2 Ų | 29.2 | 59% | 0.589 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -64.8 | -32.8 | 176.5 | -75.6 | 174.9 | -172.3 | 0 | 0 | 113.1 | K109 K148 T149 E154 | K109-E152 WeakPolarHBondContact CD-O 3.33Å; K109-E152 PolarHBondContact NZ-O 2.91Å; K148-E152 WeakPolarHBondContact O-CG 3.16Å; K148-E152 PolarHBondContact O-N 2.99Å; T149-E152 PolarHBondContact O-N 2.93Å; E152-E154 PolarHBondContact O-N 2.91Å |
| 153 | W | 98.8 | Very high | 98.2 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 13% | 0.133 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0.9 | 171 | -66.8 | -11.2 | 0 | 0 | 0 | 113.8 | W85 L97 M108 K109 A112 I124 T149 L150 A151 V155 | W85-W153 AromaticContact CH2-CH2 3.58Å; W85-W153 HydrophobicContact CH2-CH2 3.58Å; W85-W153 AromaticContact CH2-CZ3 3.34Å; W85-W153 HydrophobicContact CH2-CZ3 3.34Å; W85-W153 HydrophobicContact CZ2-CZ3 4.3Å; W85-W153 AromaticContact CZ3-CH2 3.73Å; W85-W153 HydrophobicContact CZ3-CH2 3.73Å; W85-W153 AromaticContact CZ3-CZ3 3.71Å; W85-W153 HydrophobicContact CZ3-CZ3 3.71Å; L97-W153 HydrophobicContact CB-CH2 4.24Å; L97-W153 WeakPolarHBondContact O-CH2 3.49Å; L97-W153 WeakPolarHBondContact O-CZ2 3.27Å; M108-W153 HydrophobicContact CB-CB 4.27Å; M108-W153 HydrophobicContact CB-CD2 3.51Å; M108-W153 HydrophobicContact CB-CE3 3.49Å; M108-W153 VanDerWaalsContact CB-CE3 3.49Å; M108-W153 HydrophobicContact CB-CG 3.88Å; M108-W153 HydrophobicContact CB-CH2 4.49Å; M108-W153 HydrophobicContact CB-CZ3 4.02Å; M108-W153 HydrophobicContact CG-CD2 4.15Å; M108-W153 HydrophobicContact CG-CE3 3.73Å; M108-W153 HydrophobicContact CG-CH2 4.11Å; M108-W153 HydrophobicContact CG-CZ2 4.49Å; M108-W153 HydrophobicContact CG-CZ3 3.72Å; K109-W153 HydrophobicContact CB-CB 4.45Å; K109-W153 HydrophobicContact CB-CG 4.47Å; A112-W153 WeakPolarHBondContact CB-O 3.14Å; I124-W153 HydrophobicContact CD1-CE3 4.45Å; I124-W153 HydrophobicContact CD1-CZ3 4.25Å; T149-W153 HydrophobicContact CG2-CD2 3.99Å; T149-W153 HydrophobicContact CG2-CE3 4.21Å; T149-W153 HydrophobicContact CG2-CH2 3.72Å; T149-W153 HydrophobicContact CG2-CZ2 3.47Å; T149-W153 VanDerWaalsContact CG2-CZ2 3.47Å; T149-W153 HydrophobicContact CG2-CZ3 4.08Å; T149-W153 PolarHBondContact O-N 3.4Å; L150-W153 HydrophobicContact CD2-CE3 4.11Å; L150-W153 HydrophobicContact CD2-CZ3 4.18Å; L150-W153 PolarHBondContact O-N 3.07Å; A151-W153 VanDerWaalsContact C-N 3.3Å; A151-W153 PolarHBondContact O-N 3.32Å; W153-V155 HydrophobicContact CB-CG2 4.26Å |
| 154 | E | 98.7 | Very high | 98 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 22% | 0.22 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 39.5 | -179.5 | -51.3 | 173.5 | -160 | 0 | 0 | 113 | K109 A112 Q113 H116 L150 A151 E152 R186 | K109-E154 WeakPolarHBondContact CE-OE1 3.32Å; A112-E154 HydrophobicContact CB-CB 4.28Å; Q113-E154 PolarHBondContact NE2-OE1 3.05Å; Q113-E154 VanDerWaalsContact NE2-OE1 3.15Å; H116-E154 PolarHBondContact CE1-O 3.45Å; H116-E154 IonicContact CE1-OE2 2.71Å; H116-E154 IonicContact ND1-OE2 2.82Å; H116-E154 PolarHBondContact ND1-OE2 2.91Å; H116-E154 PolarHBondContact NE2-O 2.77Å; L150-E154 PolarHBondContact O-N 2.63Å; A151-E154 WeakPolarHBondContact O-CA 3.3Å; A151-E154 PolarHBondContact O-N 3.38Å; E152-E154 PolarHBondContact O-N 2.91Å; E154-R186 VanDerWaalsContact C-CZ 3.43Å; E154-R186 VanDerWaalsContact C-NE 3.31Å; E154-R186 VanDerWaalsContact CA-CZ 3.43Å; E154-R186 PolarHBondContact O-NH2 2.77Å |
| 155 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -69.5 | 142.5 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | F122 I124 L150 W153 Y157 V158 R186 M188 | F122-V155 HydrophobicContact CD1-CB 4.39Å; F122-V155 HydrophobicContact CD1-CG2 3.69Å; F122-V155 HydrophobicContact CE1-CG2 3.66Å; I124-V155 HydrophobicContact CG2-CG1 3.74Å; I124-V155 HydrophobicContact CG2-CG2 3.96Å; L150-V155 HydrophobicContact CB-CB 4.25Å; L150-V155 HydrophobicContact CB-CG2 4.22Å; L150-V155 HydrophobicContact CD2-CG2 4.23Å; L150-V155 WeakPolarHBondContact O-CB 3.48Å; L150-V155 WeakPolarHBondContact O-CG2 3.48Å; L150-V155 PolarHBondContact O-N 2.82Å; W153-V155 HydrophobicContact CB-CG2 4.26Å; V155-Y157 WeakPolarHBondContact CG1-O 3.26Å; V155-V158 HydrophobicContact CG1-CG2 3.88Å; V155-R186 VanDerWaalsContact O-CD 3.29Å; V155-R186 WeakPolarHBondContact O-CD 3.46Å; V155-R186 PolarHBondContact O-NE 2.74Å; V155-M188 HydrophobicContact CB-SD 4.45Å; V155-M188 WeakPolarHBondContact O-CG 3.34Å | ||
| 156 | D | 98.9 | Very high | 97.5 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 10% | 0.096 | 14% | 0.139 | C | C | . | . | trans | -108.8 | -19.4 | 177.8 | -57.4 | -56.9 | 0 | 0 | 0 | 113.8 | Y78 H116 L121 F122 R186 M188 M189 | Y78-D156 HydrophobicContact CE1-CB 4.39Å; H116-D156 IonicContact CD2-OD2 2.64Å; H116-D156 IonicContact NE2-OD1 2.6Å; H116-D156 IonicContact NE2-OD2 2.94Å; H116-D156 PolarHBondContact NE2-OD2 2.84Å; L121-D156 WeakPolarHBondContact CA-OD2 3.44Å; L121-D156 HydrophobicContact CB-CB 3.96Å; L121-D156 WeakPolarHBondContact CB-OD2 3.34Å; L121-D156 HydrophobicContact CD2-CB 4.25Å; L121-D156 WeakPolarHBondContact CD2-OD2 2.98Å; F122-D156 PolarHBondContact N-OD2 2.01Å; F122-D156 WeakPolarHBondContact O-CA 3.21Å; F122-D156 WeakPolarHBondContact O-CB 3.49Å; F122-D156 PolarHBondContact O-N 2.84Å; D156-R186 IonicContact OD1-CZ 2.88Å; D156-R186 IonicContact OD1-NE 3.57Å; D156-R186 IonicContact OD1-NH2 3.45Å; D156-R186 PolarHBondContact OD1-NH2 2.99Å; D156-M188 CarbonylContact O-C 3.57Å; D156-M188 WeakPolarHBondContact O-CA 3.4Å; D156-M189 PolarHBondContact O-N 3.48Å | ||
| 157 | Y | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 131.1 | -175.7 | 178.9 | -70.6 | 0 | 0 | 0 | 110.2 | Y78 I80 F122 G123 I124 V155 K159 M189 L191 L218 | Y78-Y157 HydrophobicContact CD1-CD2 4.11Å; Y78-Y157 HydrophobicContact CD1-CG 4.32Å; Y78-Y157 HydrophobicContact CE1-CD2 4.3Å; I80-Y157 HydrophobicContact CD1-CD1 4.03Å; I80-Y157 HydrophobicContact CD1-CD2 4.41Å; I80-Y157 HydrophobicContact CD1-CE1 3.76Å; I80-Y157 HydrophobicContact CD1-CE2 4.15Å; I80-Y157 HydrophobicContact CD1-CG 4.37Å; I80-Y157 HydrophobicContact CG1-CD1 3.98Å; I80-Y157 HydrophobicContact CG1-CE1 4.17Å; I80-Y157 HydrophobicContact CG1-CG 4.35Å; I80-Y157 HydrophobicContact CG2-CD1 4.18Å; I80-Y157 HydrophobicContact CG2-CE1 4.13Å; F122-Y157 PolarHBondContact O-N 2.81Å; G123-Y157 CarbonylContact C-O 3.6Å; G123-Y157 WeakPolarHBondContact CA-O 3.38Å; I124-Y157 PolarHBondContact N-O 3.05Å; V155-Y157 WeakPolarHBondContact CG1-O 3.26Å; Y157-K159 HydrophobicContact CE1-CB 4.01Å; Y157-M189 CarbonylContact C-O 3.52Å; Y157-M189 WeakPolarHBondContact CA-O 3.29Å; Y157-M189 HydrophobicContact CD2-CB 3.78Å; Y157-M189 HydrophobicContact CD2-CG 3.74Å; Y157-M189 HydrophobicContact CD2-SD 3.54Å; Y157-M189 VanDerWaalsContact CD2-SD 3.54Å; Y157-M189 HydrophobicContact CE2-CG 4.02Å; Y157-M189 HydrophobicContact CE2-SD 3.64Å; Y157-M189 HydrophobicContact CG-CB 4.32Å; Y157-L191 HydrophobicContact CE1-CB 4.29Å; Y157-L191 WeakPolarHBondContact OH-CB 3.35Å; Y157-L191 WeakPolarHBondContact OH-CD2 3.27Å; Y157-L218 HydrophobicContact CE2-CD1 3.55Å; Y157-L218 VanDerWaalsContact OH-CD1 3.27Å; Y157-L218 WeakPolarHBondContact OH-CD1 3.26Å |
| 158 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.9 | 178.5 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | I124 I126 L150 V155 F177 L181 M188 M189 F190 L191 | I124-V158 WeakPolarHBondContact O-CA 3.49Å; I126-V158 HydrophobicContact CD1-CG1 4.2Å; I126-V158 HydrophobicContact CG1-CG1 3.94Å; L150-V158 HydrophobicContact CD1-CB 4.46Å; L150-V158 HydrophobicContact CD1-CG1 3.83Å; L150-V158 HydrophobicContact CD1-CG2 3.72Å; V155-V158 HydrophobicContact CG1-CG2 3.88Å; V158-F177 HydrophobicContact CG1-CE1 3.97Å; V158-F177 HydrophobicContact CG1-CZ 4.47Å; V158-L181 HydrophobicContact CB-CD1 4.48Å; V158-L181 HydrophobicContact CG2-CD1 4.47Å; V158-L181 HydrophobicContact CG2-CD2 4.18Å; V158-M188 HydrophobicContact CG2-CB 4.4Å; V158-M188 HydrophobicContact CG2-SD 4.22Å; V158-M189 PolarHBondContact N-O 3.22Å; V158-F190 HydrophobicContact CB-CD2 4.31Å; V158-F190 WeakPolarHBondContact O-CD2 3.44Å; V158-L191 PolarHBondContact O-N 3.18Å |
| 159 | K | 98.7 | Very high | 96.5 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124 | 164.1 | 170.3 | 176.1 | 168.2 | -173.3 | 0 | 108.5 | D82 I124 T125 I126 Y157 N161 L191 T193 | D82-K159 IonicContact OD1-NZ 3.62Å; D82-K159 IonicContact OD2-NZ 2.71Å; D82-K159 PolarHBondContact OD2-NZ 3.36Å; I124-K159 PolarHBondContact O-N 3.2Å; T125-K159 CarbonylContact C-O 3.56Å; T125-K159 VanDerWaalsContact CA-O 3.24Å; T125-K159 WeakPolarHBondContact CA-O 3.28Å; T125-K159 HydrophobicContact CG2-CB 4.4Å; T125-K159 HydrophobicContact CG2-CD 4.27Å; T125-K159 HydrophobicContact CG2-CG 4.09Å; T125-K159 WeakPolarHBondContact OG1-CB 3.44Å; T125-K159 WeakPolarHBondContact OG1-CD 3.48Å; I126-K159 PolarHBondContact N-O 3.07Å; Y157-K159 HydrophobicContact CE1-CB 4.01Å; K159-N161 WeakPolarHBondContact CE-OD1 2.97Å; K159-L191 HydrophobicContact CB-CB 4.28Å; K159-L191 HydrophobicContact CB-CD2 4.04Å; K159-L191 HydrophobicContact CB-CG 4.37Å; K159-L191 HydrophobicContact CD-CD2 3.81Å; K159-L191 HydrophobicContact CG-CD2 3.75Å; K159-L191 HydrophobicContact CG-CG 4.17Å; K159-T193 HydrophobicContact CG-CG2 4.32Å |
| 160 | M | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 108.2 | 175 | -179.7 | 81.7 | 76.3 | 0 | 0 | 109.7 | I126 G127 Y128 L143 F174 F177 F190 L191 T193 | I126-M160 HydrophobicContact CD1-CE 3.35Å; I126-M160 HydrophobicContact CD1-SD 3.65Å; I126-M160 HydrophobicContact CG1-CE 3.95Å; I126-M160 HydrophobicContact CG1-SD 3.64Å; I126-M160 CarbonylContact O-C 3.42Å; I126-M160 WeakPolarHBondContact O-CA 3.4Å; G127-M160 VanDerWaalsContact C-SD 3.55Å; Y128-M160 WeakPolarHBondContact CA-SD 3.44Å; Y128-M160 PolarHBondContact N-SD 2.97Å; L143-M160 HydrophobicContact CD2-CE 4.3Å; M160-F174 HydrophobicContact CB-CD1 4.35Å; M160-F174 HydrophobicContact CB-CE1 3.67Å; M160-F174 HydrophobicContact CB-CZ 4.05Å; M160-F174 HydrophobicContact CG-CD1 4.29Å; M160-F174 HydrophobicContact CG-CE1 3.61Å; M160-F174 HydrophobicContact CG-CE2 4.09Å; M160-F174 HydrophobicContact CG-CZ 3.51Å; M160-F174 VanDerWaalsContact O-CE1 3.29Å; M160-F174 WeakPolarHBondContact O-CE1 3.35Å; M160-F174 WeakPolarHBondContact O-CZ 3.45Å; M160-F177 HydrophobicContact CE-CB 4.13Å; M160-F177 HydrophobicContact CE-CD1 3.16Å; M160-F177 HydrophobicContact CE-CD2 3.78Å; M160-F177 HydrophobicContact CE-CE1 3.29Å; M160-F177 HydrophobicContact CE-CE2 3.91Å; M160-F177 HydrophobicContact CE-CG 3.4Å; M160-F177 HydrophobicContact CE-CZ 3.67Å; M160-F190 HydrophobicContact CB-CE2 3.56Å; M160-F190 HydrophobicContact CB-CZ 3.95Å; M160-L191 PolarHBondContact N-O 2.94Å; M160-T193 WeakPolarHBondContact O-CG2 3.29Å; M160-T193 PolarHBondContact O-OG1 3.21Å |
| 161 | N | 96.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 146.3 | 173.5 | -81.7 | -20.9 | 0 | 0 | 0 | 111.2 | T125 I126 Y128 K159 T193 | T125-N161 HydrophobicContact CG2-CB 4.5Å; T125-N161 VanDerWaalsContact CG2-ND2 3.31Å; T125-N161 WeakPolarHBondContact CG2-ND2 3.43Å; I126-N161 PolarHBondContact O-N 3.02Å; Y128-N161 WeakPolarHBondContact CB-O 3.44Å; Y128-N161 PolarHBondContact N-O 3.02Å; K159-N161 WeakPolarHBondContact CE-OD1 2.97Å; N161-T193 WeakPolarHBondContact CA-OG1 3.47Å |
| 162 | S | 95.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | trans | -105.7 | 8.6 | -175.1 | 19.7 | 0 | 0 | 0 | 0 | 114.4 | S165 M170 T193 Y194 Y197 | S162-S165 VanDerWaalsContact O-CB 3.24Å; S162-S165 WeakPolarHBondContact O-CB 3.31Å; S162-S165 PolarHBondContact O-OG 3.01Å; S162-M170 WeakPolarHBondContact CB-SD 3.41Å; S162-T193 PolarHBondContact N-OG1 2.92Å; S162-T193 PolarHBondContact OG-O 3.02Å; S162-T193 PolarHBondContact OG-OG1 3.04Å; S162-Y194 WeakPolarHBondContact OG-CA 3.37Å; S162-Y194 PolarHBondContact OG-N 3.21Å; S162-Y197 WeakPolarHBondContact OG-CD2 3.44Å; S162-Y197 WeakPolarHBondContact OG-CE2 3.29Å | ||
| 163 | C | 94.8 | Very high | 96 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 15% | 0.149 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 154.8 | 173.8 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | G129 C133 S165 Y197 | G129-C163 WeakPolarHBondContact CA-O 3.42Å; C133-C163 WeakPolarHBondContact CA-SG 3.42Å; C133-C163 HydrophobicContact CB-CB 3.84Å; C133-C163 WeakPolarHBondContact CB-SG 3.23Å; C133-C163 WeakPolarHBondContact SG-CB 3.43Å; C133-C163 CovalentContact SG-SG 2.03Å; C133-C163 PolarHBondContact SG-SG 3.17Å; C163-S165 PolarHBondContact O-N 3.05Å; C163-S165 VanDerWaalsContact O-N 3.12Å; C163-S165 PolarHBondContact O-OG 3.5Å; C163-Y197 PolarHBondContact SG-OH 3.43Å |
| 164 | N | 95.4 | Very high | 96 | Very high | 94 Ų | 94 | 35.1 Ų | 35.1 | 50% | 0.503 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 36.3 | 177.1 | -49.8 | -67.3 | 0 | 0 | 0 | 113.7 | G129 T130 G131 T132 | G129-N164 WeakPolarHBondContact CA-O 3.37Å; T130-N164 PolarHBondContact N-O 2.76Å; G131-N164 PolarHBondContact O-ND2 3.48Å; T132-N164 PolarHBondContact O-ND2 3.06Å |
| 165 | S | 94.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | trans | -121.2 | 140.6 | -176.7 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | Y128 G129 S162 C163 | Y128-S165 WeakPolarHBondContact CD1-OG 3.32Å; G129-S165 WeakPolarHBondContact CA-OG 3.48Å; G129-S165 PolarHBondContact N-OG 3.46Å; S162-S165 VanDerWaalsContact O-CB 3.24Å; S162-S165 WeakPolarHBondContact O-CB 3.31Å; S162-S165 PolarHBondContact O-OG 3.01Å; C163-S165 PolarHBondContact O-N 3.05Å; C163-S165 VanDerWaalsContact O-N 3.12Å; C163-S165 PolarHBondContact O-OG 3.5Å | ||
| 166 | P | 91.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 29% | 0.292 | 21% | 0.21 | S | C | . | . | trans | -74.5 | 125.7 | 169.9 | 28.5 | -28.4 | 0 | 0 | 0 | 110.3 | M140 H168 M169 M170 | M140-P166 VanDerWaalsContact CE-CD 3.42Å; M140-P166 HydrophobicContact CE-CG 4.27Å; M140-P166 HydrophobicContact SD-CG 4.43Å; P166-H168 VanDerWaalsContact C-N 3.28Å; P166-H168 PolarHBondContact O-N 2.64Å; P166-H168 VanDerWaalsContact O-N 3.15Å; P166-M169 HydrophobicContact CB-CG 4.37Å; P166-M169 HydrophobicContact CG-CB 3.99Å; P166-M169 HydrophobicContact CG-CE 3.93Å; P166-M169 HydrophobicContact CG-CG 3.71Å; P166-M169 HydrophobicContact CG-SD 3.54Å; P166-M169 VanDerWaalsContact CG-SD 3.54Å; P166-M169 PolarHBondContact O-N 2.64Å; P166-M170 PolarHBondContact O-N 2.8Å | ||
| 167 | D | 89.4 | Confident | 95.9 | Very high | 99 Ų | 99 | 39.5 Ų | 39.5 | 53% | 0.529 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -51.1 | -44 | -172.5 | -66.9 | -17.5 | 0 | 0 | 0 | 113.8 | M169 M170 P171 | D167-M169 PolarHBondContact O-N 2.64Å; D167-M170 HydrophobicContact CB-CE 4.29Å; D167-M170 PolarHBondContact O-N 2.78Å; D167-M170 WeakPolarHBondContact OD1-CE 3.34Å; D167-P171 WeakPolarHBondContact O-CD 3.24Å |
| 168 | H | 91.1 | Very high | 95.8 | Very high | 144 Ų | 144 | 39.7 Ų | 39.7 | 67% | 0.667 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -66.9 | -19.1 | -177.2 | 69 | -85.8 | 0 | 0 | 0 | 113.9 | P166 | P166-H168 VanDerWaalsContact C-N 3.28Å; P166-H168 PolarHBondContact O-N 2.64Å; P166-H168 VanDerWaalsContact O-N 3.15Å |
| 169 | M | 94.3 | Very high | 95.8 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 39% | 0.389 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -95 | -19.3 | 178.8 | -57 | -170.9 | -167.3 | 0 | 0 | 113 | Y128 M140 P166 D167 D172 G173 | Y128-M169 PolarHBondContact OH-O 3.24Å; Y128-M169 VanDerWaalsContact OH-O 3.07Å; M140-M169 HydrophobicContact SD-SD 4.31Å; P166-M169 HydrophobicContact CB-CG 4.37Å; P166-M169 HydrophobicContact CG-CB 3.99Å; P166-M169 HydrophobicContact CG-CE 3.93Å; P166-M169 HydrophobicContact CG-CG 3.71Å; P166-M169 HydrophobicContact CG-SD 3.54Å; P166-M169 VanDerWaalsContact CG-SD 3.54Å; P166-M169 PolarHBondContact O-N 2.64Å; D167-M169 PolarHBondContact O-N 2.64Å; M169-D172 PolarHBondContact O-N 3.35Å; M169-G173 PolarHBondContact O-N 3.42Å |
| 170 | M | 94.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | -172.8 | -59.4 | -167.2 | -77.9 | 0 | 0 | 113.4 | Y128 S162 P166 D167 D172 G173 F174 Y194 | Y128-M170 HydrophobicContact CD1-CB 4.38Å; Y128-M170 HydrophobicContact CD1-CG 3.91Å; Y128-M170 HydrophobicContact CE1-CB 4.17Å; Y128-M170 HydrophobicContact CE1-CG 3.84Å; S162-M170 WeakPolarHBondContact CB-SD 3.41Å; P166-M170 PolarHBondContact O-N 2.8Å; D167-M170 HydrophobicContact CB-CE 4.29Å; D167-M170 PolarHBondContact O-N 2.78Å; D167-M170 WeakPolarHBondContact OD1-CE 3.34Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 3.07Å; M170-G173 PolarHBondContact O-N 3.02Å; M170-F174 HydrophobicContact CB-CD2 4.31Å; M170-F174 HydrophobicContact CB-CE2 4.34Å; M170-F174 WeakPolarHBondContact O-CB 3.44Å; M170-F174 WeakPolarHBondContact O-CD2 3.41Å; M170-F174 PolarHBondContact O-N 3.42Å; M170-Y194 HydrophobicContact CB-CD2 4.46Å; M170-Y194 HydrophobicContact CB-CG 4.08Å |
| 171 | P | 95.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 21% | 0.208 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.9 | -46.8 | 179 | -28.3 | 38.6 | 0 | 0 | 0 | 112.8 | D167 E175 Y194 R211 | D167-P171 WeakPolarHBondContact O-CD 3.24Å; P171-E175 WeakPolarHBondContact O-CB 3.46Å; P171-E175 PolarHBondContact O-N 2.85Å; P171-E175 VanDerWaalsContact O-N 3.13Å; P171-Y194 HydrophobicContact CG-CD2 4.37Å; P171-Y194 HydrophobicContact CG-CE2 3.95Å; P171-R211 VanDerWaalsContact O-CZ 3.23Å; P171-R211 PolarHBondContact O-NE 3.12Å; P171-R211 PolarHBondContact O-NH2 3.48Å |
| 172 | D | 96.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 178 | -68.6 | -7.7 | 0 | 0 | 0 | 112.7 | M169 M170 K176 R211 | M169-D172 PolarHBondContact O-N 3.35Å; M170-D172 VanDerWaalsContact C-N 3.34Å; M170-D172 PolarHBondContact O-N 3.07Å; D172-K176 VanDerWaalsContact O-CB 3.24Å; D172-K176 WeakPolarHBondContact O-CB 3.46Å; D172-K176 PolarHBondContact O-N 3.44Å; D172-R211 IonicContact OD1-CZ 3.77Å; D172-R211 IonicContact OD1-NH1 3.4Å; D172-R211 PolarHBondContact OD1-NH1 2.91Å; D172-R211 IonicContact OD1-NH2 3.59Å; D172-R211 PolarHBondContact OD1-NH2 3.44Å |
| 173 | G | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y128 M169 M170 K176 F177 | Y128-G173 VanDerWaalsContact CE2-CA 3.49Å; Y128-G173 WeakPolarHBondContact OH-CA 3.4Å; M169-G173 PolarHBondContact O-N 3.42Å; M170-G173 PolarHBondContact O-N 3.02Å; G173-K176 PolarHBondContact O-N 3.32Å; G173-F177 WeakPolarHBondContact O-CB 3.4Å; G173-F177 PolarHBondContact O-N 3.31Å |
| 174 | F | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 179 | -83.2 | -112.8 | 0 | 0 | 0 | 111.6 | Y128 M160 M170 F177 S178 F190 C192 Y194 | Y128-F174 HydrophobicContact CD1-CD2 4.25Å; Y128-F174 AromaticContact CD1-CE2 3.82Å; Y128-F174 HydrophobicContact CD1-CE2 3.82Å; Y128-F174 HydrophobicContact CD2-CD2 4.41Å; Y128-F174 HydrophobicContact CD2-CE2 4.39Å; Y128-F174 HydrophobicContact CG-CD2 4.08Å; Y128-F174 AromaticContact CG-CE2 3.66Å; Y128-F174 HydrophobicContact CG-CE2 3.66Å; M160-F174 HydrophobicContact CB-CD1 4.35Å; M160-F174 HydrophobicContact CB-CE1 3.67Å; M160-F174 HydrophobicContact CB-CZ 4.05Å; M160-F174 HydrophobicContact CG-CD1 4.29Å; M160-F174 HydrophobicContact CG-CE1 3.61Å; M160-F174 HydrophobicContact CG-CE2 4.09Å; M160-F174 HydrophobicContact CG-CZ 3.51Å; M160-F174 VanDerWaalsContact O-CE1 3.29Å; M160-F174 WeakPolarHBondContact O-CE1 3.35Å; M160-F174 WeakPolarHBondContact O-CZ 3.45Å; M170-F174 HydrophobicContact CB-CD2 4.31Å; M170-F174 HydrophobicContact CB-CE2 4.34Å; M170-F174 WeakPolarHBondContact O-CB 3.44Å; M170-F174 WeakPolarHBondContact O-CD2 3.41Å; M170-F174 PolarHBondContact O-N 3.42Å; F174-F177 PolarHBondContact O-N 3.09Å; F174-S178 WeakPolarHBondContact O-CB 3.47Å; F174-S178 PolarHBondContact O-N 2.94Å; F174-F190 HydrophobicContact CD1-CE1 4.24Å; F174-F190 AromaticContact CD1-CZ 3.76Å; F174-F190 HydrophobicContact CD1-CZ 3.76Å; F174-F190 HydrophobicContact CE1-CZ 4.38Å; F174-F190 HydrophobicContact CG-CZ 4.46Å; F174-C192 HydrophobicContact CD1-CB 3.76Å; F174-C192 HydrophobicContact CE1-CB 4.11Å; F174-Y194 HydrophobicContact CB-CD1 4.08Å; F174-Y194 HydrophobicContact CB-CE1 4.37Å; F174-Y194 HydrophobicContact CD1-CD1 4.07Å; F174-Y194 HydrophobicContact CD2-CD1 4.09Å; F174-Y194 AromaticContact CG-CD1 3.81Å; F174-Y194 HydrophobicContact CG-CD1 3.81Å |
| 175 | E | 97.7 | Very high | 96.2 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 172.9 | 168.9 | 160.3 | -159.4 | 0 | 0 | 111.7 | P171 F177 S178 R179 R211 N215 | P171-E175 WeakPolarHBondContact O-CB 3.46Å; P171-E175 PolarHBondContact O-N 2.85Å; P171-E175 VanDerWaalsContact O-N 3.13Å; E175-F177 VanDerWaalsContact C-N 3.3Å; E175-F177 PolarHBondContact O-N 3.15Å; E175-S178 WeakPolarHBondContact O-CB 3.15Å; E175-S178 PolarHBondContact O-N 2.57Å; E175-R179 WeakPolarHBondContact O-CG 3.45Å; E175-R179 PolarHBondContact O-N 2.94Å; E175-R179 IonicContact OE1-CZ 2.86Å; E175-R179 IonicContact OE1-NE 2.7Å; E175-R179 IonicContact OE1-NH2 2.9Å; E175-R179 PolarHBondContact OE1-NH2 3.34Å; E175-R211 IonicContact OE2-CZ 2.7Å; E175-R211 IonicContact OE2-NE 2.8Å; E175-R211 PolarHBondContact OE2-NE 3.2Å; E175-R211 IonicContact OE2-NH2 2.9Å; E175-R211 PolarHBondContact OE2-NH2 2.83Å; E175-N215 WeakPolarHBondContact CG-OD1 3.36Å |
| 176 | K | 98.2 | Very high | 96.4 | Very high | 119 Ų | 119 | 58.4 Ų | 58.4 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 175.4 | 179.8 | 176.8 | 174.3 | -174.4 | 0 | 110.8 | L143 D172 G173 R179 L180 | L143-K176 HydrophobicContact CD1-CB 4.45Å; L143-K176 HydrophobicContact CD1-CD 4.01Å; L143-K176 HydrophobicContact CD1-CG 4.25Å; D172-K176 VanDerWaalsContact O-CB 3.24Å; D172-K176 WeakPolarHBondContact O-CB 3.46Å; D172-K176 PolarHBondContact O-N 3.44Å; G173-K176 PolarHBondContact O-N 3.32Å; K176-R179 PolarHBondContact O-N 3.42Å; K176-L180 HydrophobicContact CG-CD1 3.91Å; K176-L180 HydrophobicContact CG-CG 4.48Å; K176-L180 VanDerWaalsContact O-CG 3.26Å; K176-L180 WeakPolarHBondContact O-CG 3.44Å; K176-L180 PolarHBondContact O-N 3.02Å |
| 177 | F | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 179.1 | -167.9 | -109.1 | 0 | 0 | 0 | 112.5 | I126 L143 A147 L150 V158 M160 G173 F174 E175 R179 L180 L181 F190 | I126-F177 HydrophobicContact CD1-CE1 3.91Å; I126-F177 HydrophobicContact CD1-CE2 4.11Å; I126-F177 HydrophobicContact CD1-CZ 3.45Å; I126-F177 VanDerWaalsContact CD1-CZ 3.45Å; L143-F177 HydrophobicContact CB-CD2 4.03Å; L143-F177 HydrophobicContact CD2-CB 4.25Å; L143-F177 HydrophobicContact CD2-CD2 3.75Å; L143-F177 HydrophobicContact CD2-CE2 4.49Å; L143-F177 HydrophobicContact CD2-CG 4.26Å; L143-F177 HydrophobicContact CG-CD2 4.42Å; L143-F177 WeakPolarHBondContact O-CE2 3.36Å; A147-F177 HydrophobicContact CB-CD2 4.46Å; A147-F177 HydrophobicContact CB-CE2 3.87Å; A147-F177 HydrophobicContact CB-CZ 4.43Å; L150-F177 HydrophobicContact CD1-CZ 4.07Å; V158-F177 HydrophobicContact CG1-CE1 3.97Å; V158-F177 HydrophobicContact CG1-CZ 4.47Å; M160-F177 HydrophobicContact CE-CB 4.13Å; M160-F177 HydrophobicContact CE-CD1 3.16Å; M160-F177 HydrophobicContact CE-CD2 3.78Å; M160-F177 HydrophobicContact CE-CE1 3.29Å; M160-F177 HydrophobicContact CE-CE2 3.91Å; M160-F177 HydrophobicContact CE-CG 3.4Å; M160-F177 HydrophobicContact CE-CZ 3.67Å; G173-F177 WeakPolarHBondContact O-CB 3.4Å; G173-F177 PolarHBondContact O-N 3.31Å; F174-F177 PolarHBondContact O-N 3.09Å; E175-F177 VanDerWaalsContact C-N 3.3Å; E175-F177 PolarHBondContact O-N 3.15Å; F177-R179 VanDerWaalsContact C-N 3.33Å; F177-R179 PolarHBondContact O-N 3.42Å; F177-L180 WeakPolarHBondContact O-CB 3.42Å; F177-L180 PolarHBondContact O-N 2.71Å; F177-L180 VanDerWaalsContact O-N 3.11Å; F177-L181 HydrophobicContact CD1-CD1 3.8Å; F177-L181 HydrophobicContact CD1-CD2 4.48Å; F177-L181 HydrophobicContact CD1-CG 3.93Å; F177-L181 HydrophobicContact CE1-CD1 3.59Å; F177-L181 HydrophobicContact CE1-CD2 3.73Å; F177-L181 HydrophobicContact CE1-CG 3.66Å; F177-L181 HydrophobicContact CE2-CD2 4.48Å; F177-L181 HydrophobicContact CZ-CD1 4.42Å; F177-L181 HydrophobicContact CZ-CD2 3.72Å; F177-L181 HydrophobicContact CZ-CG 4.05Å; F177-L181 WeakPolarHBondContact O-CG 3.16Å; F177-L181 PolarHBondContact O-N 2.82Å; F177-F190 HydrophobicContact CD1-CD2 4.4Å; F177-F190 HydrophobicContact CD1-CE1 4.39Å; F177-F190 AromaticContact CD1-CE2 3.66Å; F177-F190 HydrophobicContact CD1-CE2 3.66Å; F177-F190 AromaticContact CD1-CZ 3.67Å; F177-F190 HydrophobicContact CD1-CZ 3.67Å; F177-F190 HydrophobicContact CE1-CE2 4.02Å; F177-F190 HydrophobicContact CE1-CZ 4.47Å |
| 178 | S | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.1 | -46.3 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 112.2 | F174 E175 L180 L181 N182 N215 | F174-S178 WeakPolarHBondContact O-CB 3.47Å; F174-S178 PolarHBondContact O-N 2.94Å; E175-S178 WeakPolarHBondContact O-CB 3.15Å; E175-S178 PolarHBondContact O-N 2.57Å; S178-L180 VanDerWaalsContact C-N 3.33Å; S178-L180 PolarHBondContact O-N 3Å; S178-L181 PolarHBondContact O-N 2.93Å; S178-N182 PolarHBondContact O-N 3.45Å; S178-N215 WeakPolarHBondContact CB-O 3.33Å; S178-N215 PolarHBondContact OG-O 3.47Å |
| 179 | R | 98.1 | Very high | 97.4 | Very high | 158 Ų | 158 | 48.8 Ų | 48.8 | 60% | 0.596 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 175.4 | -64.7 | 176.2 | -169 | 177.9 | 1 | 112.2 | E175 K176 F177 N182 G183 | E175-R179 WeakPolarHBondContact O-CG 3.45Å; E175-R179 PolarHBondContact O-N 2.94Å; E175-R179 IonicContact OE1-CZ 2.86Å; E175-R179 IonicContact OE1-NE 2.7Å; E175-R179 IonicContact OE1-NH2 2.9Å; E175-R179 PolarHBondContact OE1-NH2 3.34Å; K176-R179 PolarHBondContact O-N 3.42Å; F177-R179 VanDerWaalsContact C-N 3.33Å; F177-R179 PolarHBondContact O-N 3.42Å; R179-N182 PolarHBondContact O-N 3.03Å; R179-G183 PolarHBondContact O-N 3.16Å |
| 180 | L | 98.5 | Very high | 97.6 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 178 | -70.9 | 166.6 | 0 | 0 | 0 | 112 | L143 E144 A147 K176 F177 S178 N182 G183 T184 | L143-L180 HydrophobicContact CB-CD1 3.65Å; E144-L180 HydrophobicContact CB-CD1 4.11Å; E144-L180 HydrophobicContact CB-CD2 3.83Å; E144-L180 HydrophobicContact CG-CD2 3.89Å; A147-L180 HydrophobicContact CB-CB 3.87Å; K176-L180 HydrophobicContact CG-CD1 3.91Å; K176-L180 HydrophobicContact CG-CG 4.48Å; K176-L180 VanDerWaalsContact O-CG 3.26Å; K176-L180 WeakPolarHBondContact O-CG 3.44Å; K176-L180 PolarHBondContact O-N 3.02Å; F177-L180 WeakPolarHBondContact O-CB 3.42Å; F177-L180 PolarHBondContact O-N 2.71Å; F177-L180 VanDerWaalsContact O-N 3.11Å; S178-L180 VanDerWaalsContact C-N 3.33Å; S178-L180 PolarHBondContact O-N 3Å; L180-N182 PolarHBondContact O-N 3.28Å; L180-G183 PolarHBondContact O-N 2.96Å; L180-T184 WeakPolarHBondContact O-CG2 3.11Å; L180-T184 PolarHBondContact O-N 3.47Å |
| 181 | L | 98.5 | Very high | 97.8 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 172.4 | -71 | 176.8 | 0 | 0 | 0 | 110.7 | A147 V158 F177 S178 G183 T184 M188 F190 | A147-L181 HydrophobicContact CB-CD2 4.22Å; V158-L181 HydrophobicContact CB-CD1 4.48Å; V158-L181 HydrophobicContact CG2-CD1 4.47Å; V158-L181 HydrophobicContact CG2-CD2 4.18Å; F177-L181 HydrophobicContact CD1-CD1 3.8Å; F177-L181 HydrophobicContact CD1-CD2 4.48Å; F177-L181 HydrophobicContact CD1-CG 3.93Å; F177-L181 HydrophobicContact CE1-CD1 3.59Å; F177-L181 HydrophobicContact CE1-CD2 3.73Å; F177-L181 HydrophobicContact CE1-CG 3.66Å; F177-L181 HydrophobicContact CE2-CD2 4.48Å; F177-L181 HydrophobicContact CZ-CD1 4.42Å; F177-L181 HydrophobicContact CZ-CD2 3.72Å; F177-L181 HydrophobicContact CZ-CG 4.05Å; F177-L181 WeakPolarHBondContact O-CG 3.16Å; F177-L181 PolarHBondContact O-N 2.82Å; S178-L181 PolarHBondContact O-N 2.93Å; L181-G183 VanDerWaalsContact C-N 3.3Å; L181-G183 PolarHBondContact O-N 2.9Å; L181-T184 WeakPolarHBondContact O-CB 3.43Å; L181-T184 PolarHBondContact O-N 3.3Å; L181-T184 PolarHBondContact O-OG1 3.45Å; L181-M188 HydrophobicContact CB-CE 4.14Å; L181-M188 HydrophobicContact CD2-CE 3.57Å; L181-M188 HydrophobicContact CD2-SD 3.82Å; L181-M188 HydrophobicContact CG-CE 4.46Å; L181-F190 HydrophobicContact CD1-CB 4.09Å; L181-F190 HydrophobicContact CD1-CD1 4.44Å; L181-F190 HydrophobicContact CD1-CD2 3.82Å; L181-F190 HydrophobicContact CD1-CE2 4.38Å; L181-F190 HydrophobicContact CD1-CG 3.88Å |
| 182 | N | 97.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 43.6 Ų | 43.6 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.9 | -40.3 | 176.6 | -169 | 24.5 | 0 | 0 | 0 | 112 | S178 R179 L180 T184 G185 | S178-N182 PolarHBondContact O-N 3.45Å; R179-N182 PolarHBondContact O-N 3.03Å; L180-N182 PolarHBondContact O-N 3.28Å; N182-T184 PolarHBondContact O-N 2.89Å; N182-T184 VanDerWaalsContact O-N 3.15Å; N182-G185 PolarHBondContact O-N 3.44Å |
| 183 | G | 97.6 | Very high | 97.9 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 73% | 0.732 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.8 | -17 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R179 L180 L181 G185 | R179-G183 PolarHBondContact O-N 3.16Å; L180-G183 PolarHBondContact O-N 2.96Å; L181-G183 VanDerWaalsContact C-N 3.3Å; L181-G183 PolarHBondContact O-N 2.9Å; G183-G185 PolarHBondContact O-N 3Å |
| 184 | T | 98.2 | Very high | 97.8 | Very high | 42 Ų | 42 | 39.1 Ų | 39.1 | 26% | 0.258 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -18.3 | 172.2 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | A147 A151 L180 L181 N182 R186 M188 | A147-T184 HydrophobicContact CB-CG2 4.25Å; A151-T184 HydrophobicContact CB-CG2 3.83Å; L180-T184 WeakPolarHBondContact O-CG2 3.11Å; L180-T184 PolarHBondContact O-N 3.47Å; L181-T184 WeakPolarHBondContact O-CB 3.43Å; L181-T184 PolarHBondContact O-N 3.3Å; L181-T184 PolarHBondContact O-OG1 3.45Å; N182-T184 PolarHBondContact O-N 2.89Å; N182-T184 VanDerWaalsContact O-N 3.15Å; T184-R186 PolarHBondContact O-N 2.95Å; T184-R186 PolarHBondContact OG1-N 2.67Å; T184-M188 HydrophobicContact CG2-CE 4.13Å; T184-M188 WeakPolarHBondContact OG1-CE 3.44Å |
| 185 | G | 97.2 | Very high | 97.7 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 68% | 0.68 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 76.9 | -7.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N182 G183 | N182-G185 PolarHBondContact O-N 3.44Å; G183-G185 PolarHBondContact O-N 3Å |
| 186 | R | 97.6 | Very high | 97.3 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -88.6 | 125.3 | 172.7 | -175.5 | 177.6 | -178.2 | 90.4 | 3.5 | 110.1 | A151 E154 V155 D156 T184 M188 | A151-R186 HydrophobicContact CB-CB 4.17Å; E154-R186 VanDerWaalsContact C-CZ 3.43Å; E154-R186 VanDerWaalsContact C-NE 3.31Å; E154-R186 VanDerWaalsContact CA-CZ 3.43Å; E154-R186 PolarHBondContact O-NH2 2.77Å; V155-R186 VanDerWaalsContact O-CD 3.29Å; V155-R186 WeakPolarHBondContact O-CD 3.46Å; V155-R186 PolarHBondContact O-NE 2.74Å; D156-R186 IonicContact OD1-CZ 2.88Å; D156-R186 IonicContact OD1-NE 3.57Å; D156-R186 IonicContact OD1-NH2 3.45Å; D156-R186 PolarHBondContact OD1-NH2 2.99Å; T184-R186 PolarHBondContact O-N 2.95Å; T184-R186 PolarHBondContact OG1-N 2.67Å; R186-M188 HydrophobicContact CB-CE 4.28Å; R186-M188 HydrophobicContact CG-CG 4.36Å; R186-M188 PolarHBondContact O-N 2.82Å; R186-M188 VanDerWaalsContact O-N 3.11Å |
| 187 | P | 97.6 | Very high | 96.5 | Very high | 79 Ų | 79 | 38.1 Ų | 38.1 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | trans | -63.9 | 114 | 172.5 | -19.9 | 32.4 | 0 | 0 | 0 | 110.4 | L26 | L26-P187 HydrophobicContact CD1-CB 3.99Å; L26-P187 HydrophobicContact CD2-CB 4.31Å; L26-P187 HydrophobicContact CG-CB 4.34Å | ||
| 188 | M | 98.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | trans | -124 | 124.9 | 175.9 | -75.7 | 175.5 | -76.3 | 0 | 0 | 109.3 | L150 A151 V155 D156 V158 L181 T184 R186 | L150-M188 HydrophobicContact CB-SD 4.24Å; A151-M188 HydrophobicContact CB-CE 4Å; V155-M188 HydrophobicContact CB-SD 4.45Å; V155-M188 WeakPolarHBondContact O-CG 3.34Å; D156-M188 CarbonylContact O-C 3.57Å; D156-M188 WeakPolarHBondContact O-CA 3.4Å; V158-M188 HydrophobicContact CG2-CB 4.4Å; V158-M188 HydrophobicContact CG2-SD 4.22Å; L181-M188 HydrophobicContact CB-CE 4.14Å; L181-M188 HydrophobicContact CD2-CE 3.57Å; L181-M188 HydrophobicContact CD2-SD 3.82Å; L181-M188 HydrophobicContact CG-CE 4.46Å; T184-M188 HydrophobicContact CG2-CE 4.13Å; T184-M188 WeakPolarHBondContact OG1-CE 3.44Å; R186-M188 HydrophobicContact CB-CE 4.28Å; R186-M188 HydrophobicContact CG-CG 4.36Å; R186-M188 PolarHBondContact O-N 2.82Å; R186-M188 VanDerWaalsContact O-N 3.11Å | ||
| 189 | M | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 133.1 | 172.8 | -175.1 | 171 | -61.9 | 0 | 0 | 109.1 | L26 A27 P31 Y78 D156 Y157 V158 N217 L218 | L26-M189 HydrophobicContact CB-CE 4.23Å; L26-M189 HydrophobicContact CD1-CB 4.18Å; A27-M189 HydrophobicContact CB-CE 3.73Å; A27-M189 HydrophobicContact CB-SD 4.35Å; P31-M189 HydrophobicContact CB-CE 4.01Å; P31-M189 HydrophobicContact CB-SD 3.76Å; P31-M189 HydrophobicContact CG-CE 4.33Å; P31-M189 HydrophobicContact CG-SD 3.62Å; Y78-M189 HydrophobicContact CE2-CE 4.21Å; Y78-M189 VanDerWaalsContact OH-CE 3.3Å; Y78-M189 WeakPolarHBondContact OH-CE 3.49Å; D156-M189 PolarHBondContact O-N 3.48Å; Y157-M189 CarbonylContact C-O 3.52Å; Y157-M189 WeakPolarHBondContact CA-O 3.29Å; Y157-M189 HydrophobicContact CD2-CB 3.78Å; Y157-M189 HydrophobicContact CD2-CG 3.74Å; Y157-M189 HydrophobicContact CD2-SD 3.54Å; Y157-M189 VanDerWaalsContact CD2-SD 3.54Å; Y157-M189 HydrophobicContact CE2-CG 4.02Å; Y157-M189 HydrophobicContact CE2-SD 3.64Å; Y157-M189 HydrophobicContact CG-CB 4.32Å; V158-M189 PolarHBondContact N-O 3.22Å; M189-N217 WeakPolarHBondContact CA-OD1 3.42Å; M189-N217 HydrophobicContact CG-CB 3.71Å; M189-L218 HydrophobicContact SD-CD1 4.16Å; M189-L218 HydrophobicContact SD-CG 4.41Å |
| 190 | F | 98.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.8 | -176.3 | -171.1 | -142.6 | 0 | 0 | 0 | 112.9 | V158 M160 F174 F177 L181 C192 N215 N217 L218 | V158-F190 HydrophobicContact CB-CD2 4.31Å; V158-F190 WeakPolarHBondContact O-CD2 3.44Å; M160-F190 HydrophobicContact CB-CE2 3.56Å; M160-F190 HydrophobicContact CB-CZ 3.95Å; F174-F190 HydrophobicContact CD1-CE1 4.24Å; F174-F190 AromaticContact CD1-CZ 3.76Å; F174-F190 HydrophobicContact CD1-CZ 3.76Å; F174-F190 HydrophobicContact CE1-CZ 4.38Å; F174-F190 HydrophobicContact CG-CZ 4.46Å; F177-F190 HydrophobicContact CD1-CD2 4.4Å; F177-F190 HydrophobicContact CD1-CE1 4.39Å; F177-F190 AromaticContact CD1-CE2 3.66Å; F177-F190 HydrophobicContact CD1-CE2 3.66Å; F177-F190 AromaticContact CD1-CZ 3.67Å; F177-F190 HydrophobicContact CD1-CZ 3.67Å; F177-F190 HydrophobicContact CE1-CE2 4.02Å; F177-F190 HydrophobicContact CE1-CZ 4.47Å; L181-F190 HydrophobicContact CD1-CB 4.09Å; L181-F190 HydrophobicContact CD1-CD1 4.44Å; L181-F190 HydrophobicContact CD1-CD2 3.82Å; L181-F190 HydrophobicContact CD1-CE2 4.38Å; L181-F190 HydrophobicContact CD1-CG 3.88Å; F190-C192 VanDerWaalsContact CD1-SG 3.54Å; F190-C192 WeakPolarHBondContact CE1-SG 3.45Å; F190-N215 WeakPolarHBondContact CD1-O 3.47Å; F190-N217 PolarHBondContact N-OD1 3.4Å; F190-N217 VanDerWaalsContact N-OD1 3.11Å; F190-N217 PolarHBondContact O-N 2.75Å; F190-L218 PolarHBondContact O-N 3.36Å |
| 191 | L | 98.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.1 | 171.4 | 167.5 | 57.4 | 0 | 0 | 0 | 110.9 | Y157 V158 K159 M160 T193 L218 R220 D257 | Y157-L191 HydrophobicContact CE1-CB 4.29Å; Y157-L191 WeakPolarHBondContact OH-CB 3.35Å; Y157-L191 WeakPolarHBondContact OH-CD2 3.27Å; V158-L191 PolarHBondContact O-N 3.18Å; K159-L191 HydrophobicContact CB-CB 4.28Å; K159-L191 HydrophobicContact CB-CD2 4.04Å; K159-L191 HydrophobicContact CB-CG 4.37Å; K159-L191 HydrophobicContact CD-CD2 3.81Å; K159-L191 HydrophobicContact CG-CD2 3.75Å; K159-L191 HydrophobicContact CG-CG 4.17Å; M160-L191 PolarHBondContact N-O 2.94Å; L191-T193 HydrophobicContact CG-CG2 4.22Å; L191-L218 HydrophobicContact CB-CB 3.92Å; L191-L218 HydrophobicContact CB-CD1 4.18Å; L191-L218 HydrophobicContact CD1-CB 3.46Å; L191-L218 VanDerWaalsContact CD1-CB 3.46Å; L191-L218 HydrophobicContact CG-CB 4.22Å; L191-R220 HydrophobicContact CD1-CB 3.84Å; L191-D257 HydrophobicContact CD1-CB 4.22Å; L191-D257 WeakPolarHBondContact CD2-OD2 3.44Å |
| 192 | C | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.4 | 177.5 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | F174 F190 L212 C216 L218 R220 | F174-C192 HydrophobicContact CD1-CB 3.76Å; F174-C192 HydrophobicContact CE1-CB 4.11Å; F190-C192 VanDerWaalsContact CD1-SG 3.54Å; F190-C192 WeakPolarHBondContact CE1-SG 3.45Å; C192-L212 HydrophobicContact CB-CD2 4.03Å; C192-C216 HydrophobicContact CB-CB 3.68Å; C192-C216 WeakPolarHBondContact CB-SG 3.3Å; C192-C216 WeakPolarHBondContact SG-CB 3.48Å; C192-C216 CovalentContact SG-SG 2.01Å; C192-C216 PolarHBondContact SG-SG 3.31Å; C192-L218 PolarHBondContact N-O 2.87Å; C192-R220 PolarHBondContact O-N 3.41Å |
| 193 | T | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -120.1 | -0.3 | -176.9 | 74.4 | 0 | 0 | 0 | 0 | 114.3 | K159 M160 N161 S162 L191 P195 L196 R220 | K159-T193 HydrophobicContact CG-CG2 4.32Å; M160-T193 WeakPolarHBondContact O-CG2 3.29Å; M160-T193 PolarHBondContact O-OG1 3.21Å; N161-T193 WeakPolarHBondContact CA-OG1 3.47Å; S162-T193 PolarHBondContact N-OG1 2.92Å; S162-T193 PolarHBondContact OG-O 3.02Å; S162-T193 PolarHBondContact OG-OG1 3.04Å; L191-T193 HydrophobicContact CG-CG2 4.22Å; T193-P195 VanDerWaalsContact C-N 3.27Å; T193-L196 WeakPolarHBondContact O-CB 3.15Å; T193-L196 WeakPolarHBondContact O-CD1 3.43Å; T193-L196 VanDerWaalsContact O-CG 3.23Å; T193-L196 WeakPolarHBondContact O-CG 3.14Å; T193-L196 PolarHBondContact O-N 3.25Å; T193-R220 HydrophobicContact CG2-CB 4.2Å | ||
| 194 | Y | 94.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 4% | 0.043 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -57.5 | -30.5 | -179.1 | 82.9 | -104.2 | 0 | 0 | 0 | 115 | S162 M170 P171 F174 L196 Y197 I207 L212 | S162-Y194 WeakPolarHBondContact OG-CA 3.37Å; S162-Y194 PolarHBondContact OG-N 3.21Å; M170-Y194 HydrophobicContact CB-CD2 4.46Å; M170-Y194 HydrophobicContact CB-CG 4.08Å; P171-Y194 HydrophobicContact CG-CD2 4.37Å; P171-Y194 HydrophobicContact CG-CE2 3.95Å; F174-Y194 HydrophobicContact CB-CD1 4.08Å; F174-Y194 HydrophobicContact CB-CE1 4.37Å; F174-Y194 HydrophobicContact CD1-CD1 4.07Å; F174-Y194 HydrophobicContact CD2-CD1 4.09Å; F174-Y194 AromaticContact CG-CD1 3.81Å; F174-Y194 HydrophobicContact CG-CD1 3.81Å; Y194-L196 PolarHBondContact O-N 3.33Å; Y194-L196 VanDerWaalsContact O-N 3.11Å; Y194-Y197 PolarHBondContact O-N 3.45Å; Y194-I207 HydrophobicContact CD2-CD1 4.34Å; Y194-I207 HydrophobicContact CE2-CD1 3.8Å; Y194-L212 HydrophobicContact CD1-CD2 4.14Å; Y194-L212 HydrophobicContact CE1-CD2 3.31Å; Y194-L212 HydrophobicContact CE1-CG 4.07Å; Y194-L212 WeakPolarHBondContact OH-CG 3.27Å |
| 195 | P | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -58.5 | -28.1 | 179.3 | -29.7 | 40.1 | 0 | 0 | 0 | 113.7 | T193 Y197 G198 W200 I207 L212 I219 A221 | T193-P195 VanDerWaalsContact C-N 3.27Å; P195-Y197 PolarHBondContact O-N 2.88Å; P195-Y197 VanDerWaalsContact O-N 3.13Å; P195-G198 PolarHBondContact O-N 3.06Å; P195-G198 VanDerWaalsContact O-N 3.15Å; P195-W200 PolarHBondContact O-NE1 2.75Å; P195-I207 HydrophobicContact CB-CD1 4.34Å; P195-L212 HydrophobicContact CG-CD1 3.58Å; P195-L212 HydrophobicContact CG-CD2 4.06Å; P195-L212 HydrophobicContact CG-CG 4.47Å; P195-I219 HydrophobicContact CG-CG2 3.99Å; P195-A221 HydrophobicContact CB-CB 3.85Å |
| 196 | L | 90.5 | Very high | 92.1 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -51.9 | -37.6 | 178.6 | -67.9 | 164.1 | 0 | 0 | 0 | 116.3 | T193 Y194 R220 L222 | T193-L196 WeakPolarHBondContact O-CB 3.15Å; T193-L196 WeakPolarHBondContact O-CD1 3.43Å; T193-L196 VanDerWaalsContact O-CG 3.23Å; T193-L196 WeakPolarHBondContact O-CG 3.14Å; T193-L196 PolarHBondContact O-N 3.25Å; Y194-L196 PolarHBondContact O-N 3.33Å; Y194-L196 VanDerWaalsContact O-N 3.11Å; L196-R220 WeakPolarHBondContact CG-O 3.49Å; L196-L222 VanDerWaalsContact CD2-C 3.49Å; L196-L222 WeakPolarHBondContact CD2-O 3.42Å |
| 197 | Y | 80.7 | Confident | 91.9 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 40% | 0.404 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -94.3 | -7.9 | -170.1 | -60.1 | -83.9 | 0 | 0 | 0 | 110.9 | S162 C163 Y194 P195 | S162-Y197 WeakPolarHBondContact OG-CD2 3.44Å; S162-Y197 WeakPolarHBondContact OG-CE2 3.29Å; C163-Y197 PolarHBondContact SG-OH 3.43Å; Y194-Y197 PolarHBondContact O-N 3.45Å; P195-Y197 PolarHBondContact O-N 2.88Å; P195-Y197 VanDerWaalsContact O-N 3.13Å |
| 198 | G | 76.3 | Confident | 91.8 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -84.2 | 158.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P195 W200 | P195-G198 PolarHBondContact O-N 3.06Å; P195-G198 VanDerWaalsContact O-N 3.15Å; G198-W200 PolarHBondContact O-N 2.8Å |
| 199 | S | 83.3 | Confident | 91.6 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -79.6 | 30 | 175.2 | -55.2 | 0 | 0 | 0 | 0 | 113.9 | Y201 A202 K203 | S199-Y201 PolarHBondContact O-N 3.25Å; S199-A202 PolarHBondContact O-N 3.47Å; S199-K203 PolarHBondContact O-N 3.06Å |
| 200 | W | 89.3 | Confident | 91.5 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.015 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -66.5 | -39.4 | -168.9 | 85.5 | -97.1 | 0 | 0 | 0 | 100.1 | P195 G198 A202 K203 P204 I207 W209 A221 L222 R242 L246 | P195-W200 PolarHBondContact O-NE1 2.75Å; G198-W200 PolarHBondContact O-N 2.8Å; W200-A202 CarbonylContact O-C 3.52Å; W200-A202 PolarHBondContact O-N 2.86Å; W200-K203 VanDerWaalsContact CA-O 3.23Å; W200-K203 WeakPolarHBondContact CA-O 3.43Å; W200-K203 CarbonylContact O-C 3.57Å; W200-K203 PolarHBondContact O-N 3.38Å; W200-P204 WeakPolarHBondContact O-CA 3.46Å; W200-I207 HydrophobicContact CB-CB 4.27Å; W200-I207 HydrophobicContact CB-CD1 4.2Å; W200-I207 HydrophobicContact CB-CG1 3.23Å; W200-I207 HydrophobicContact CG-CG1 4.04Å; W200-W209 AromaticContact CD2-CH2 3.91Å; W200-W209 HydrophobicContact CD2-CH2 3.91Å; W200-W209 AromaticContact CD2-CZ2 3.88Å; W200-W209 HydrophobicContact CD2-CZ2 3.88Å; W200-W209 AromaticContact CE3-CH2 3.64Å; W200-W209 HydrophobicContact CE3-CH2 3.64Å; W200-W209 AromaticContact CE3-CZ2 3.35Å; W200-W209 HydrophobicContact CE3-CZ2 3.35Å; W200-W209 HydrophobicContact CG-CZ2 4.45Å; W200-W209 HydrophobicContact CH2-CH2 4.21Å; W200-W209 AromaticContact CZ3-CH2 3.76Å; W200-W209 HydrophobicContact CZ3-CH2 3.76Å; W200-W209 AromaticContact CZ3-CZ2 3.74Å; W200-W209 HydrophobicContact CZ3-CZ2 3.74Å; W200-A221 HydrophobicContact CH2-CB 4.19Å; W200-A221 HydrophobicContact CZ2-CB 3.42Å; W200-A221 VanDerWaalsContact CZ2-CB 3.42Å; W200-A221 WeakPolarHBondContact CZ2-O 3.27Å; W200-A221 PolarHBondContact NE1-O 3.25Å; W200-L222 HydrophobicContact CH2-CD2 4.31Å; W200-L222 HydrophobicContact CZ2-CD2 3.8Å; W200-L222 HydrophobicContact CZ2-CG 4.24Å; W200-R242 HydrophobicContact CE3-CG 4.45Å; W200-R242 HydrophobicContact CH2-CB 4.04Å; W200-R242 HydrophobicContact CH2-CG 3.79Å; W200-R242 HydrophobicContact CZ3-CB 3.88Å; W200-R242 HydrophobicContact CZ3-CG 3.54Å; W200-L246 HydrophobicContact CH2-CD1 4.43Å; W200-L246 HydrophobicContact CH2-CD2 3.94Å; W200-L246 HydrophobicContact CH2-CG 4.41Å; W200-L246 HydrophobicContact CZ3-CD2 4.35Å |
| 201 | Y | 87.6 | Confident | 91.4 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 37% | 0.373 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -58.2 | -20.1 | -175.8 | -165.2 | -92 | 0 | 0 | 0 | 111.9 | S199 L222 V241 R242 | S199-Y201 PolarHBondContact O-N 3.25Å; Y201-L222 HydrophobicContact CD2-CD2 3.87Å; Y201-L222 HydrophobicContact CE2-CD2 3.95Å; Y201-V241 HydrophobicContact CE1-CG1 4.21Å; Y201-V241 HydrophobicContact CE2-CG1 4.35Å; Y201-V241 WeakPolarHBondContact OH-CB 3.38Å; Y201-V241 WeakPolarHBondContact OH-CG1 3.48Å; Y201-R242 HydrophobicContact CD2-CG 4.01Å; Y201-R242 HydrophobicContact CE2-CG 4.02Å; Y201-R242 PolarHBondContact O-NE 2.93Å; Y201-R242 PolarHBondContact O-NH2 3.49Å |
| 202 | A | 91 | Very high | 91.3 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -31.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S199 W200 | S199-A202 PolarHBondContact O-N 3.47Å; W200-A202 CarbonylContact O-C 3.52Å; W200-A202 PolarHBondContact O-N 2.86Å |
| 203 | K | 90.9 | Very high | 91.2 | Very high | 115 Ų | 115 | 54.2 Ų | 54.2 | 50% | 0.5 | 28% | 0.277 | S | S | . | . | trans | -135.3 | 82.6 | -172.3 | -68.5 | -175.5 | -178.1 | -176.9 | 0 | 110.1 | S199 W200 E205 L206 | S199-K203 PolarHBondContact O-N 3.06Å; W200-K203 VanDerWaalsContact CA-O 3.23Å; W200-K203 WeakPolarHBondContact CA-O 3.43Å; W200-K203 CarbonylContact O-C 3.57Å; W200-K203 PolarHBondContact O-N 3.38Å; K203-E205 VanDerWaalsContact CA-OE2 3.31Å; K203-E205 WeakPolarHBondContact CA-OE2 3.21Å; K203-E205 WeakPolarHBondContact CB-OE1 3.35Å; K203-E205 PolarHBondContact O-N 3.05Å; K203-E205 VanDerWaalsContact O-N 3.15Å; K203-L206 HydrophobicContact CB-CD1 3.69Å; K203-L206 HydrophobicContact CB-CG 3.75Å; K203-L206 HydrophobicContact CD-CD1 4.05Å; K203-L206 HydrophobicContact CD-CG 4.47Å; K203-L206 HydrophobicContact CG-CD1 4.49Å; K203-L206 WeakPolarHBondContact O-CB 3.39Å; K203-L206 PolarHBondContact O-N 3.16Å; K203-L206 VanDerWaalsContact O-N 3.09Å | ||
| 204 | P | 90.2 | Very high | 91.1 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -61.8 | -22.9 | -173.7 | 23.9 | -33.9 | 0 | 0 | 0 | 113.6 | W200 L206 I207 W209 V245 | W200-P204 WeakPolarHBondContact O-CA 3.46Å; P204-L206 PolarHBondContact O-N 3.42Å; P204-I207 PolarHBondContact O-N 3.4Å; P204-W209 PolarHBondContact O-NE1 2.76Å; P204-W209 VanDerWaalsContact O-NE1 3.07Å; P204-V245 HydrophobicContact CB-CG2 3.69Å; P204-V245 HydrophobicContact CG-CG2 4.31Å |
| 205 | E | 90.8 | Very high | 91.3 | Very high | 138 Ų | 138 | 56 Ų | 56 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -67.6 | -14.5 | 176.3 | 73.1 | -77.1 | -177.9 | 0 | 0 | 114.1 | K203 I207 | K203-E205 VanDerWaalsContact CA-OE2 3.31Å; K203-E205 WeakPolarHBondContact CA-OE2 3.21Å; K203-E205 WeakPolarHBondContact CB-OE1 3.35Å; K203-E205 PolarHBondContact O-N 3.05Å; K203-E205 VanDerWaalsContact O-N 3.15Å; E205-I207 PolarHBondContact O-N 3.32Å |
| 206 | L | 90.6 | Very high | 91.4 | Very high | 106 Ų | 106 | 56.1 Ų | 56.1 | 56% | 0.555 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -74 | -15.5 | 175.6 | -65.5 | -179.3 | 0 | 0 | 0 | 113.2 | K203 P204 | K203-L206 HydrophobicContact CB-CD1 3.69Å; K203-L206 HydrophobicContact CB-CG 3.75Å; K203-L206 HydrophobicContact CD-CD1 4.05Å; K203-L206 HydrophobicContact CD-CG 4.47Å; K203-L206 HydrophobicContact CG-CD1 4.49Å; K203-L206 WeakPolarHBondContact O-CB 3.39Å; K203-L206 PolarHBondContact O-N 3.16Å; K203-L206 VanDerWaalsContact O-N 3.09Å; P204-L206 PolarHBondContact O-N 3.42Å |
| 207 | I | 93.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.087 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -105.9 | 126.3 | 177.2 | -65.6 | -65.7 | 0 | 0 | 0 | 109.2 | Y194 P195 W200 P204 E205 W209 L212 | Y194-I207 HydrophobicContact CD2-CD1 4.34Å; Y194-I207 HydrophobicContact CE2-CD1 3.8Å; P195-I207 HydrophobicContact CB-CD1 4.34Å; W200-I207 HydrophobicContact CB-CB 4.27Å; W200-I207 HydrophobicContact CB-CD1 4.2Å; W200-I207 HydrophobicContact CB-CG1 3.23Å; W200-I207 HydrophobicContact CG-CG1 4.04Å; P204-I207 PolarHBondContact O-N 3.4Å; E205-I207 PolarHBondContact O-N 3.32Å; I207-W209 HydrophobicContact CB-CD2 4.38Å; I207-W209 HydrophobicContact CB-CZ2 3.93Å; I207-W209 HydrophobicContact CG1-CZ2 4.42Å; I207-W209 HydrophobicContact CG2-CD2 3.71Å; I207-W209 HydrophobicContact CG2-CE3 4Å; I207-W209 HydrophobicContact CG2-CG 4.19Å; I207-W209 HydrophobicContact CG2-CH2 4.19Å; I207-W209 HydrophobicContact CG2-CZ2 3.86Å; I207-W209 HydrophobicContact CG2-CZ3 4.25Å; I207-W209 PolarHBondContact O-N 3.18Å; I207-W209 PolarHBondContact O-NE1 2.84Å; I207-L212 HydrophobicContact CG2-CD1 3.48Å; I207-L212 VanDerWaalsContact CG2-CD1 3.48Å |
| 208 | D | 95 | Very high | 92.7 | Very high | 90 Ų | 90 | 49.6 Ų | 49.6 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | trans | -77 | 89.6 | 166.3 | -172.3 | -15.1 | 0 | 0 | 0 | 109.8 | K210 R211 L212 | D208-K210 PolarHBondContact O-N 2.75Å; D208-K210 PolarHBondContact OD1-N 2.68Å; D208-K210 VanDerWaalsContact OD1-N 3.09Å; D208-R211 HydrophobicContact CB-CB 3.8Å; D208-R211 WeakPolarHBondContact O-CB 3.49Å; D208-R211 PolarHBondContact O-N 2.99Å; D208-R211 PolarHBondContact OD1-N 3.47Å; D208-R211 WeakPolarHBondContact OD2-CB 3.35Å; D208-L212 PolarHBondContact O-N 2.98Å | ||
| 209 | W | 95 | Very high | 93.7 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -31.6 | 177.7 | -61 | 99.1 | 0 | 0 | 0 | 112.6 | W200 P204 I207 R211 L212 Q213 I219 A221 V245 V249 | W200-W209 AromaticContact CD2-CH2 3.91Å; W200-W209 HydrophobicContact CD2-CH2 3.91Å; W200-W209 AromaticContact CD2-CZ2 3.88Å; W200-W209 HydrophobicContact CD2-CZ2 3.88Å; W200-W209 AromaticContact CE3-CH2 3.64Å; W200-W209 HydrophobicContact CE3-CH2 3.64Å; W200-W209 AromaticContact CE3-CZ2 3.35Å; W200-W209 HydrophobicContact CE3-CZ2 3.35Å; W200-W209 HydrophobicContact CG-CZ2 4.45Å; W200-W209 HydrophobicContact CH2-CH2 4.21Å; W200-W209 AromaticContact CZ3-CH2 3.76Å; W200-W209 HydrophobicContact CZ3-CH2 3.76Å; W200-W209 AromaticContact CZ3-CZ2 3.74Å; W200-W209 HydrophobicContact CZ3-CZ2 3.74Å; P204-W209 PolarHBondContact O-NE1 2.76Å; P204-W209 VanDerWaalsContact O-NE1 3.07Å; I207-W209 HydrophobicContact CB-CD2 4.38Å; I207-W209 HydrophobicContact CB-CZ2 3.93Å; I207-W209 HydrophobicContact CG1-CZ2 4.42Å; I207-W209 HydrophobicContact CG2-CD2 3.71Å; I207-W209 HydrophobicContact CG2-CE3 4Å; I207-W209 HydrophobicContact CG2-CG 4.19Å; I207-W209 HydrophobicContact CG2-CH2 4.19Å; I207-W209 HydrophobicContact CG2-CZ2 3.86Å; I207-W209 HydrophobicContact CG2-CZ3 4.25Å; I207-W209 PolarHBondContact O-N 3.18Å; I207-W209 PolarHBondContact O-NE1 2.84Å; W209-R211 VanDerWaalsContact C-N 3.35Å; W209-L212 HydrophobicContact CE3-CD1 3.88Å; W209-L212 HydrophobicContact CZ3-CD1 4.16Å; W209-L212 WeakPolarHBondContact O-CB 3.44Å; W209-L212 PolarHBondContact O-N 3.23Å; W209-Q213 WeakPolarHBondContact O-CG 3.16Å; W209-Q213 PolarHBondContact O-N 3.11Å; W209-I219 HydrophobicContact CZ3-CG2 4.25Å; W209-A221 HydrophobicContact CH2-CB 4.26Å; W209-V245 HydrophobicContact CD2-CG1 3.9Å; W209-V245 HydrophobicContact CG-CG1 4.23Å; W209-V245 HydrophobicContact CH2-CG1 4.48Å; W209-V245 HydrophobicContact CZ2-CG1 3.88Å; W209-V249 HydrophobicContact CB-CG2 3.85Å; W209-V249 HydrophobicContact CD2-CG2 3.9Å; W209-V249 HydrophobicContact CE3-CB 4.44Å; W209-V249 HydrophobicContact CE3-CG1 3.9Å; W209-V249 HydrophobicContact CE3-CG2 3.83Å; W209-V249 HydrophobicContact CG-CG2 3.92Å |
| 210 | K | 95.7 | Very high | 94.3 | Very high | 109 Ų | 109 | 45 Ų | 45 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.1 | -39.6 | 179.6 | -175.2 | 53.1 | 173.6 | 161 | 0 | 110.4 | D208 L212 Q213 N214 | D208-K210 PolarHBondContact O-N 2.75Å; D208-K210 PolarHBondContact OD1-N 2.68Å; D208-K210 VanDerWaalsContact OD1-N 3.09Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-Q213 PolarHBondContact O-N 2.88Å; K210-N214 WeakPolarHBondContact CE-OD1 3.4Å; K210-N214 PolarHBondContact NZ-OD1 3.29Å; K210-N214 VanDerWaalsContact NZ-OD1 3.12Å; K210-N214 WeakPolarHBondContact O-CB 3.4Å; K210-N214 PolarHBondContact O-N 2.9Å; K210-N214 PolarHBondContact O-ND2 2.81Å; K210-N214 PolarHBondContact O-OD1 2.93Å |
| 211 | R | 96.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 17% | 0.17 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 170.4 | -177.6 | -179.5 | -162.9 | 164.3 | 9.8 | 111.9 | P171 D172 E175 D208 W209 N214 N215 | P171-R211 VanDerWaalsContact O-CZ 3.23Å; P171-R211 PolarHBondContact O-NE 3.12Å; P171-R211 PolarHBondContact O-NH2 3.48Å; D172-R211 IonicContact OD1-CZ 3.77Å; D172-R211 IonicContact OD1-NH1 3.4Å; D172-R211 PolarHBondContact OD1-NH1 2.91Å; D172-R211 IonicContact OD1-NH2 3.59Å; D172-R211 PolarHBondContact OD1-NH2 3.44Å; E175-R211 IonicContact OE2-CZ 2.7Å; E175-R211 IonicContact OE2-NE 2.8Å; E175-R211 PolarHBondContact OE2-NE 3.2Å; E175-R211 IonicContact OE2-NH2 2.9Å; E175-R211 PolarHBondContact OE2-NH2 2.83Å; D208-R211 HydrophobicContact CB-CB 3.8Å; D208-R211 WeakPolarHBondContact O-CB 3.49Å; D208-R211 PolarHBondContact O-N 2.99Å; D208-R211 PolarHBondContact OD1-N 3.47Å; D208-R211 WeakPolarHBondContact OD2-CB 3.35Å; W209-R211 VanDerWaalsContact C-N 3.35Å; R211-N214 PolarHBondContact O-N 2.92Å; R211-N215 WeakPolarHBondContact O-CB 3.26Å; R211-N215 PolarHBondContact O-N 2.83Å; R211-N215 PolarHBondContact O-ND2 3.45Å |
| 212 | L | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -50.2 | 176.2 | -76.5 | 162.7 | 0 | 0 | 0 | 112 | C192 Y194 P195 I207 D208 W209 K210 N214 N215 C216 I219 | C192-L212 HydrophobicContact CB-CD2 4.03Å; Y194-L212 HydrophobicContact CD1-CD2 4.14Å; Y194-L212 HydrophobicContact CE1-CD2 3.31Å; Y194-L212 HydrophobicContact CE1-CG 4.07Å; Y194-L212 WeakPolarHBondContact OH-CG 3.27Å; P195-L212 HydrophobicContact CG-CD1 3.58Å; P195-L212 HydrophobicContact CG-CD2 4.06Å; P195-L212 HydrophobicContact CG-CG 4.47Å; I207-L212 HydrophobicContact CG2-CD1 3.48Å; I207-L212 VanDerWaalsContact CG2-CD1 3.48Å; D208-L212 PolarHBondContact O-N 2.98Å; W209-L212 HydrophobicContact CE3-CD1 3.88Å; W209-L212 HydrophobicContact CZ3-CD1 4.16Å; W209-L212 WeakPolarHBondContact O-CB 3.44Å; W209-L212 PolarHBondContact O-N 3.23Å; K210-L212 VanDerWaalsContact C-N 3.34Å; L212-N214 PolarHBondContact O-N 3.04Å; L212-N215 PolarHBondContact O-N 3.36Å; L212-C216 WeakPolarHBondContact O-CA 3.31Å; L212-C216 VanDerWaalsContact O-CB 3.29Å; L212-C216 WeakPolarHBondContact O-CB 3.23Å; L212-C216 PolarHBondContact O-N 3.16Å; L212-I219 HydrophobicContact CB-CD1 3.63Å; L212-I219 HydrophobicContact CB-CG1 4.08Å; L212-I219 HydrophobicContact CD1-CG2 3.95Å; L212-I219 HydrophobicContact CD2-CG1 4.36Å; L212-I219 HydrophobicContact CD2-CG2 4.31Å |
| 213 | Q | 96.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -33.7 | 177.3 | -70.3 | 177 | -49.8 | 0 | 0 | 112.7 | W209 K210 N215 K248 V249 H254 | W209-Q213 WeakPolarHBondContact O-CG 3.16Å; W209-Q213 PolarHBondContact O-N 3.11Å; K210-Q213 PolarHBondContact O-N 2.88Å; Q213-N215 VanDerWaalsContact C-N 3.34Å; Q213-K248 PolarHBondContact NE2-O 3.2Å; Q213-V249 HydrophobicContact CG-CG1 4.04Å; Q213-V249 PolarHBondContact NE2-O 3.27Å; Q213-H254 HydrophobicContact CB-CB 4.43Å; Q213-H254 HydrophobicContact CG-CB 4.41Å; Q213-H254 PolarHBondContact NE2-CE1 2.82Å |
| 214 | N | 96.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 19% | 0.193 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7 | -179.6 | -69.6 | -10.7 | 0 | 0 | 0 | 113.9 | L22 K210 R211 L212 | L22-N214 VanDerWaalsContact CB-O 3.22Å; L22-N214 WeakPolarHBondContact CB-O 3.26Å; L22-N214 PolarHBondContact N-O 2.86Å; K210-N214 WeakPolarHBondContact CE-OD1 3.4Å; K210-N214 PolarHBondContact NZ-OD1 3.29Å; K210-N214 VanDerWaalsContact NZ-OD1 3.12Å; K210-N214 WeakPolarHBondContact O-CB 3.4Å; K210-N214 PolarHBondContact O-N 2.9Å; K210-N214 PolarHBondContact O-ND2 2.81Å; K210-N214 PolarHBondContact O-OD1 2.93Å; R211-N214 PolarHBondContact O-N 2.92Å; L212-N214 PolarHBondContact O-N 3.04Å |
| 215 | N | 97.3 | Very high | 95 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | -17.7 | -173.8 | -70.1 | -71.7 | 0 | 0 | 0 | 114.2 | E175 S178 F190 R211 L212 Q213 | E175-N215 WeakPolarHBondContact CG-OD1 3.36Å; S178-N215 WeakPolarHBondContact CB-O 3.33Å; S178-N215 PolarHBondContact OG-O 3.47Å; F190-N215 WeakPolarHBondContact CD1-O 3.47Å; R211-N215 WeakPolarHBondContact O-CB 3.26Å; R211-N215 PolarHBondContact O-N 2.83Å; R211-N215 PolarHBondContact O-ND2 3.45Å; L212-N215 PolarHBondContact O-N 3.36Å; Q213-N215 VanDerWaalsContact C-N 3.34Å |
| 216 | C | 98.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | trans | -124.6 | 136.3 | -173.6 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | C192 L212 I219 | C192-C216 HydrophobicContact CB-CB 3.68Å; C192-C216 WeakPolarHBondContact CB-SG 3.3Å; C192-C216 WeakPolarHBondContact SG-CB 3.48Å; C192-C216 CovalentContact SG-SG 2.01Å; C192-C216 PolarHBondContact SG-SG 3.31Å; L212-C216 WeakPolarHBondContact O-CA 3.31Å; L212-C216 VanDerWaalsContact O-CB 3.29Å; L212-C216 WeakPolarHBondContact O-CB 3.23Å; L212-C216 PolarHBondContact O-N 3.16Å; C216-I219 HydrophobicContact CB-CG1 4.19Å | ||
| 217 | N | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -79.8 | -28.1 | 170.8 | -67.7 | 117.5 | 0 | 0 | 0 | 112.7 | N24 A27 M189 F190 G253 H254 W255 | N24-N217 PolarHBondContact ND2-OD1 2.86Å; N24-N217 PolarHBondContact OD1-ND2 2.99Å; N24-N217 VanDerWaalsContact OD1-ND2 3.08Å; A27-N217 HydrophobicContact CB-CB 4.02Å; M189-N217 WeakPolarHBondContact CA-OD1 3.42Å; M189-N217 HydrophobicContact CG-CB 3.71Å; F190-N217 PolarHBondContact N-OD1 3.4Å; F190-N217 VanDerWaalsContact N-OD1 3.11Å; F190-N217 PolarHBondContact O-N 2.75Å; N217-G253 VanDerWaalsContact CA-O 3.24Å; N217-G253 WeakPolarHBondContact CA-O 3.46Å; N217-G253 PolarHBondContact ND2-O 2.97Å; N217-H254 CarbonylContact O-C 3.5Å; N217-H254 WeakPolarHBondContact O-CA 3.47Å; N217-W255 PolarHBondContact O-N 3.17Å |
| 218 | L | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.3 | 178.2 | -59.5 | 175.4 | 0 | 0 | 0 | 109.7 | P31 Y157 M189 F190 L191 C192 W255 P286 | P31-L218 HydrophobicContact CG-CD1 3.82Å; P31-L218 HydrophobicContact CG-CD2 3.98Å; P31-L218 HydrophobicContact CG-CG 4.36Å; Y157-L218 HydrophobicContact CE2-CD1 3.55Å; Y157-L218 VanDerWaalsContact OH-CD1 3.27Å; Y157-L218 WeakPolarHBondContact OH-CD1 3.26Å; M189-L218 HydrophobicContact SD-CD1 4.16Å; M189-L218 HydrophobicContact SD-CG 4.41Å; F190-L218 PolarHBondContact O-N 3.36Å; L191-L218 HydrophobicContact CB-CB 3.92Å; L191-L218 HydrophobicContact CB-CD1 4.18Å; L191-L218 HydrophobicContact CD1-CB 3.46Å; L191-L218 VanDerWaalsContact CD1-CB 3.46Å; L191-L218 HydrophobicContact CG-CB 4.22Å; C192-L218 PolarHBondContact N-O 2.87Å; L218-W255 CarbonylContact C-O 3.57Å; L218-W255 WeakPolarHBondContact CA-O 3.37Å; L218-W255 HydrophobicContact CD2-CB 3.66Å; L218-W255 HydrophobicContact CD2-CG 4.06Å; L218-P286 HydrophobicContact CD1-CG 4.06Å; L218-P286 HydrophobicContact CD2-CG 3.49Å; L218-P286 VanDerWaalsContact CD2-CG 3.49Å; L218-P286 HydrophobicContact CG-CG 4.37Å |
| 219 | I | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 107.8 | -176.5 | -56 | 163 | 0 | 0 | 0 | 108.4 | P195 W209 L212 C216 V249 W255 D257 | P195-I219 HydrophobicContact CG-CG2 3.99Å; W209-I219 HydrophobicContact CZ3-CG2 4.25Å; L212-I219 HydrophobicContact CB-CD1 3.63Å; L212-I219 HydrophobicContact CB-CG1 4.08Å; L212-I219 HydrophobicContact CD1-CG2 3.95Å; L212-I219 HydrophobicContact CD2-CG1 4.36Å; L212-I219 HydrophobicContact CD2-CG2 4.31Å; C216-I219 HydrophobicContact CB-CG1 4.19Å; I219-V249 HydrophobicContact CD1-CG1 3.67Å; I219-W255 PolarHBondContact N-O 2.96Å; I219-D257 PolarHBondContact O-N 3.29Å |
| 220 | R | 96.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 3% | 0.034 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 109.9 | 175.1 | -151.4 | -74 | -69.2 | -129.4 | -17.7 | 108.2 | L191 C192 T193 L196 L222 N224 D257 | L191-R220 HydrophobicContact CD1-CB 3.84Å; C192-R220 PolarHBondContact O-N 3.41Å; T193-R220 HydrophobicContact CG2-CB 4.2Å; L196-R220 WeakPolarHBondContact CG-O 3.49Å; R220-L222 WeakPolarHBondContact CD-O 3.39Å; R220-L222 PolarHBondContact NH1-O 2.88Å; R220-N224 PolarHBondContact NH1-OD1 3.13Å; R220-N224 PolarHBondContact NH2-OD1 2.91Å; R220-D257 HydrophobicContact CB-CB 3.98Å; R220-D257 HydrophobicContact CG-CB 4.03Å; R220-D257 WeakPolarHBondContact CG-O 3.39Å |
| 221 | A | 93.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | trans | -118.1 | -15.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | P195 W200 W209 | P195-A221 HydrophobicContact CB-CB 3.85Å; W200-A221 HydrophobicContact CH2-CB 4.19Å; W200-A221 HydrophobicContact CZ2-CB 3.42Å; W200-A221 VanDerWaalsContact CZ2-CB 3.42Å; W200-A221 WeakPolarHBondContact CZ2-O 3.27Å; W200-A221 PolarHBondContact NE1-O 3.25Å; W209-A221 HydrophobicContact CH2-CB 4.26Å | ||
| 222 | L | 93.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -108.8 | 160.2 | 179.3 | -68.8 | 178.5 | 0 | 0 | 0 | 112.3 | L196 W200 Y201 R220 I235 Y239 | L196-L222 VanDerWaalsContact CD2-C 3.49Å; L196-L222 WeakPolarHBondContact CD2-O 3.42Å; W200-L222 HydrophobicContact CH2-CD2 4.31Å; W200-L222 HydrophobicContact CZ2-CD2 3.8Å; W200-L222 HydrophobicContact CZ2-CG 4.24Å; Y201-L222 HydrophobicContact CD2-CD2 3.87Å; Y201-L222 HydrophobicContact CE2-CD2 3.95Å; R220-L222 WeakPolarHBondContact CD-O 3.39Å; R220-L222 PolarHBondContact NH1-O 2.88Å; L222-I235 HydrophobicContact CD1-CG2 4.26Å; L222-Y239 HydrophobicContact CD1-CD2 3.4Å; L222-Y239 VanDerWaalsContact CD1-CD2 3.4Å; L222-Y239 HydrophobicContact CD1-CE2 3.49Å; L222-Y239 VanDerWaalsContact CD1-CE2 3.49Å |
| 223 | P | 91.6 | Very high | 95.9 | Very high | 92 Ų | 92 | 27.4 Ų | 27.4 | 60% | 0.597 | 16% | 0.161 | S | C | * | . | P | Polyproline II helix | trans | -54.6 | 165.9 | -176.3 | -26.9 | 36 | 0 | 0 | 0 | 114.6 | S225 | P223-S225 PolarHBondContact O-N 3.04Š|
| 224 | N | 92.2 | Very high | 95.9 | Very high | 51 Ų | 51 | 27.9 Ų | 27.9 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 138.4 | 176.6 | -64.3 | -2 | 0 | 0 | 0 | 110.8 | R220 F226 S231 D259 | R220-N224 PolarHBondContact NH1-OD1 3.13Å; R220-N224 PolarHBondContact NH2-OD1 2.91Å; N224-F226 HydrophobicContact CB-CE2 3.9Å; N224-F226 HydrophobicContact CB-CZ 3.93Å; N224-F226 WeakPolarHBondContact O-CD2 3.27Å; N224-F226 WeakPolarHBondContact O-CE2 3.29Å; N224-S231 PolarHBondContact O-OG 3.4Å; N224-D259 VanDerWaalsContact CA-OD2 3.28Å; N224-D259 WeakPolarHBondContact CA-OD2 3.02Å |
| 225 | S | 92.1 | Very high | 96 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 143.6 | 164.1 | 63.5 | 0 | 0 | 0 | 0 | 110 | Q38 P223 S231 D259 M260 | Q38-S225 VanDerWaalsContact CD-O 3.3Å; Q38-S225 PolarHBondContact NE2-O 3.19Å; P223-S225 PolarHBondContact O-N 3.04Å; S225-S231 WeakPolarHBondContact CA-OG 3.36Å; S225-D259 PolarHBondContact N-OD2 3.45Å; S225-D259 VanDerWaalsContact OG-CG 3.3Å; S225-D259 PolarHBondContact OG-OD2 3Å; S225-M260 PolarHBondContact OG-N 3.02Å; S225-M260 PolarHBondContact OG-O 3.39Å |
| 226 | F | 94.5 | Very high | 96 | Very high | 105 Ų | 105 | 25.7 Ų | 25.7 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | trans | -136.7 | 160.1 | 171.7 | -63.7 | -80.7 | 0 | 0 | 0 | 108.8 | N224 S228 S231 | N224-F226 HydrophobicContact CB-CE2 3.9Å; N224-F226 HydrophobicContact CB-CZ 3.93Å; N224-F226 WeakPolarHBondContact O-CD2 3.27Å; N224-F226 WeakPolarHBondContact O-CE2 3.29Å; F226-S228 PolarHBondContact O-N 2.83Å; F226-S231 PolarHBondContact N-OG 2.85Å | ||
| 227 | S | 94.4 | Very high | 96 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -75.8 | 63.1 | 176.6 | -160.6 | 0 | 0 | 0 | 0 | 112 | N265 N266 G267 | S227-N265 WeakPolarHBondContact OG-CB 3.11Å; S227-N266 WeakPolarHBondContact CB-O 3.43Å; S227-N266 PolarHBondContact OG-O 3.42Å; S227-G267 WeakPolarHBondContact O-CA 3.43Å |
| 228 | S | 96.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 28.3 Ų | 28.3 | 33% | 0.329 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -150.4 | 146.1 | 176.6 | 72.5 | 0 | 0 | 0 | 0 | 110.8 | F226 A230 S231 V232 L268 | F226-S228 PolarHBondContact O-N 2.83Å; S228-A230 VanDerWaalsContact C-N 3.28Å; S228-A230 PolarHBondContact O-N 3.26Å; S228-S231 PolarHBondContact O-N 2.91Å; S228-S231 VanDerWaalsContact O-N 3.16Å; S228-S231 WeakPolarHBondContact OG-CB 3.42Å; S228-S231 PolarHBondContact OG-N 3.28Å; S228-V232 PolarHBondContact O-N 3.15Å; S228-L268 VanDerWaalsContact C-CD2 3.45Å |
| 229 | W | 96.5 | Very high | 95.8 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 13% | 0.129 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -41.1 | 179.6 | 177.1 | -124.1 | 0 | 0 | 0 | 112.6 | S231 V232 I233 L268 Q272 V275 | W229-S231 VanDerWaalsContact C-N 3.25Å; W229-S231 PolarHBondContact O-N 2.83Å; W229-V232 HydrophobicContact CE3-CB 4.29Å; W229-V232 HydrophobicContact CE3-CG1 4.34Å; W229-V232 HydrophobicContact CZ3-CG1 4.13Å; W229-V232 PolarHBondContact O-N 3.13Å; W229-I233 HydrophobicContact CD2-CB 4.29Å; W229-I233 HydrophobicContact CH2-CB 4.21Å; W229-I233 HydrophobicContact CH2-CD1 3.89Å; W229-I233 HydrophobicContact CH2-CG1 4.35Å; W229-I233 HydrophobicContact CZ2-CB 3.93Å; W229-I233 HydrophobicContact CZ2-CD1 3.87Å; W229-I233 HydrophobicContact CZ2-CG1 3.95Å; W229-I233 HydrophobicContact CZ3-CB 4.48Å; W229-I233 VanDerWaalsContact O-CG2 3.29Å; W229-I233 WeakPolarHBondContact O-CG2 3.28Å; W229-I233 PolarHBondContact O-N 2.97Å; W229-L268 HydrophobicContact CB-CD2 4.48Å; W229-Q272 HydrophobicContact CB-CG 4.49Å; W229-Q272 HydrophobicContact CD2-CG 3.79Å; W229-Q272 HydrophobicContact CE3-CB 3.75Å; W229-Q272 HydrophobicContact CE3-CG 3.47Å; W229-Q272 VanDerWaalsContact CE3-CG 3.47Å; W229-Q272 HydrophobicContact CG-CG 4.24Å; W229-Q272 HydrophobicContact CZ3-CB 4.08Å; W229-Q272 HydrophobicContact CZ3-CG 3.93Å; W229-V275 HydrophobicContact CH2-CB 4.13Å; W229-V275 HydrophobicContact CH2-CG1 3.84Å; W229-V275 HydrophobicContact CH2-CG2 4Å; W229-V275 HydrophobicContact CZ3-CB 3.91Å; W229-V275 HydrophobicContact CZ3-CG1 3.84Å; W229-V275 HydrophobicContact CZ3-CG2 4.18Å |
| 230 | A | 96.9 | Very high | 95.8 | Very high | 74 Ų | 74 | 31.6 Ų | 31.6 | 61% | 0.612 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -58.3 | -36.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | S228 G234 | S228-A230 VanDerWaalsContact C-N 3.28Å; S228-A230 PolarHBondContact O-N 3.26Å; A230-G234 PolarHBondContact O-N 2.99Å; A230-G234 VanDerWaalsContact O-N 3.08Å |
| 231 | S | 97.3 | Very high | 95.8 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 12% | 0.119 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71 | -48.9 | 176.1 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | N224 S225 F226 S228 W229 G234 I235 | N224-S231 PolarHBondContact O-OG 3.4Å; S225-S231 WeakPolarHBondContact CA-OG 3.36Å; F226-S231 PolarHBondContact N-OG 2.85Å; S228-S231 PolarHBondContact O-N 2.91Å; S228-S231 VanDerWaalsContact O-N 3.16Å; S228-S231 WeakPolarHBondContact OG-CB 3.42Å; S228-S231 PolarHBondContact OG-N 3.28Å; W229-S231 VanDerWaalsContact C-N 3.25Å; W229-S231 PolarHBondContact O-N 2.83Å; S231-G234 PolarHBondContact O-N 3.38Å; S231-I235 WeakPolarHBondContact O-CG1 3.46Å; S231-I235 PolarHBondContact O-N 3.36Å |
| 232 | V | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.5 | -51.7 | -179.5 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | S228 W229 G234 I235 I236 L268 H276 | S228-V232 PolarHBondContact O-N 3.15Å; W229-V232 HydrophobicContact CE3-CB 4.29Å; W229-V232 HydrophobicContact CE3-CG1 4.34Å; W229-V232 HydrophobicContact CZ3-CG1 4.13Å; W229-V232 PolarHBondContact O-N 3.13Å; V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 3.05Å; V232-I235 PolarHBondContact O-N 2.93Å; V232-I236 HydrophobicContact CG1-CD1 3.95Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 2.92Å; V232-I236 VanDerWaalsContact O-N 3.16Å; V232-L268 HydrophobicContact CG2-CD1 4.07Å; V232-L268 HydrophobicContact CG2-CD2 4.04Å; V232-H276 HydrophobicContact CG1-CB 3.97Å; V232-H276 HydrophobicContact CG2-CB 4.41Å |
| 233 | I | 97.4 | Very high | 96 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.4 | -33.9 | -179.1 | -161.9 | 59.6 | 0 | 0 | 0 | 111.9 | W229 I235 I236 D237 T351 | W229-I233 HydrophobicContact CD2-CB 4.29Å; W229-I233 HydrophobicContact CH2-CB 4.21Å; W229-I233 HydrophobicContact CH2-CD1 3.89Å; W229-I233 HydrophobicContact CH2-CG1 4.35Å; W229-I233 HydrophobicContact CZ2-CB 3.93Å; W229-I233 HydrophobicContact CZ2-CD1 3.87Å; W229-I233 HydrophobicContact CZ2-CG1 3.95Å; W229-I233 HydrophobicContact CZ3-CB 4.48Å; W229-I233 VanDerWaalsContact O-CG2 3.29Å; W229-I233 WeakPolarHBondContact O-CG2 3.28Å; W229-I233 PolarHBondContact O-N 2.97Å; I233-I235 VanDerWaalsContact C-N 3.32Å; I233-I235 PolarHBondContact O-N 3.22Å; I233-I236 HydrophobicContact CD1-CB 4.37Å; I233-I236 HydrophobicContact CD1-CD1 4.3Å; I233-I236 HydrophobicContact CD1-CG2 4.42Å; I233-I236 PolarHBondContact O-N 2.66Å; I233-D237 WeakPolarHBondContact O-CB 3.24Å; I233-D237 PolarHBondContact O-N 3.39Å; I233-T351 HydrophobicContact CD1-CG2 4.19Å |
| 234 | G | 97.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A230 S231 V232 G238 | A230-G234 PolarHBondContact O-N 2.99Å; A230-G234 VanDerWaalsContact O-N 3.08Å; S231-G234 PolarHBondContact O-N 3.38Å; V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 3.05Å; G234-G238 PolarHBondContact O-N 2.92Å |
| 235 | I | 97.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -45.8 | 174 | -68.7 | 161.6 | 0 | 0 | 0 | 110.5 | L222 S231 V232 I233 D237 G238 Y239 P258 W280 | L222-I235 HydrophobicContact CD1-CG2 4.26Å; S231-I235 WeakPolarHBondContact O-CG1 3.46Å; S231-I235 PolarHBondContact O-N 3.36Å; V232-I235 PolarHBondContact O-N 2.93Å; I233-I235 VanDerWaalsContact C-N 3.32Å; I233-I235 PolarHBondContact O-N 3.22Å; I235-D237 VanDerWaalsContact C-N 3.3Å; I235-D237 PolarHBondContact O-N 2.99Å; I235-G238 WeakPolarHBondContact O-CA 3.31Å; I235-G238 PolarHBondContact O-N 2.79Å; I235-Y239 HydrophobicContact CG2-CD2 4.27Å; I235-Y239 HydrophobicContact CG2-CE2 4.22Å; I235-Y239 WeakPolarHBondContact O-CD2 3.42Å; I235-Y239 PolarHBondContact O-N 3.22Å; I235-P258 HydrophobicContact CG2-CB 3.68Å; I235-W280 HydrophobicContact CB-CH2 4.04Å; I235-W280 HydrophobicContact CD1-CH2 3.98Å; I235-W280 HydrophobicContact CD1-CZ2 4.39Å; I235-W280 HydrophobicContact CG2-CH2 3.63Å; I235-W280 HydrophobicContact CG2-CZ2 4.29Å; I235-W280 HydrophobicContact CG2-CZ3 4.29Å |
| 236 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 176.7 | -67.4 | 161.5 | 0 | 0 | 0 | 110.9 | V232 I233 G238 Y239 K240 V275 M279 W280 F283 W333 | V232-I236 HydrophobicContact CG1-CD1 3.95Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 2.92Å; V232-I236 VanDerWaalsContact O-N 3.16Å; I233-I236 HydrophobicContact CD1-CB 4.37Å; I233-I236 HydrophobicContact CD1-CD1 4.3Å; I233-I236 HydrophobicContact CD1-CG2 4.42Å; I233-I236 PolarHBondContact O-N 2.66Å; I236-G238 VanDerWaalsContact C-N 3.29Å; I236-G238 PolarHBondContact O-N 3.38Å; I236-Y239 WeakPolarHBondContact O-CB 3.48Å; I236-Y239 PolarHBondContact O-N 3.23Å; I236-K240 PolarHBondContact O-N 2.98Å; I236-V275 HydrophobicContact CD1-CG1 3.53Å; I236-M279 HydrophobicContact CD1-CB 3.91Å; I236-M279 HydrophobicContact CD1-CG 3.76Å; I236-M279 HydrophobicContact CG1-CB 3.96Å; I236-M279 HydrophobicContact CG1-CG 4.14Å; I236-M279 HydrophobicContact CG2-CE 4.28Å; I236-W280 HydrophobicContact CG1-CZ3 4.43Å; I236-F283 HydrophobicContact CB-CZ 4.46Å; I236-F283 HydrophobicContact CG1-CE2 4.06Å; I236-F283 HydrophobicContact CG1-CZ 4.29Å; I236-F283 HydrophobicContact CG2-CZ 4.27Å; I236-W333 HydrophobicContact CG2-CZ2 3.96Å |
| 237 | D | 97.3 | Very high | 96.6 | Very high | 55 Ų | 55 | 28.5 Ų | 28.5 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.7 | -34.1 | 175.5 | -79.2 | -23.9 | 0 | 0 | 0 | 112 | I233 I235 Y239 K240 V241 Q331 | I233-D237 WeakPolarHBondContact O-CB 3.24Å; I233-D237 PolarHBondContact O-N 3.39Å; I235-D237 VanDerWaalsContact C-N 3.3Å; I235-D237 PolarHBondContact O-N 2.99Å; D237-Y239 VanDerWaalsContact C-N 3.35Å; D237-Y239 PolarHBondContact O-N 3.26Å; D237-K240 WeakPolarHBondContact O-CB 3.32Å; D237-K240 PolarHBondContact O-N 3.04Å; D237-V241 WeakPolarHBondContact O-CB 3.39Å; D237-V241 VanDerWaalsContact O-CG2 3.29Å; D237-V241 WeakPolarHBondContact O-CG2 3.48Å; D237-V241 PolarHBondContact O-N 3.15Å; D237-Q331 PolarHBondContact OD1-NE2 2.82Å |
| 238 | G | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G234 I235 I236 K240 V241 R242 | G234-G238 PolarHBondContact O-N 2.92Å; I235-G238 WeakPolarHBondContact O-CA 3.31Å; I235-G238 PolarHBondContact O-N 2.79Å; I236-G238 VanDerWaalsContact C-N 3.29Å; I236-G238 PolarHBondContact O-N 3.38Å; G238-K240 VanDerWaalsContact C-N 3.34Å; G238-V241 PolarHBondContact O-N 3.27Å; G238-R242 PolarHBondContact O-N 3.3Å |
| 239 | Y | 97.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -38.6 | 173.4 | -87 | -108 | 0 | 0 | 0 | 112.2 | L222 I235 I236 D237 R242 N243 L246 N256 P258 F283 | L222-Y239 HydrophobicContact CD1-CD2 3.4Å; L222-Y239 VanDerWaalsContact CD1-CD2 3.4Å; L222-Y239 HydrophobicContact CD1-CE2 3.49Å; L222-Y239 VanDerWaalsContact CD1-CE2 3.49Å; I235-Y239 HydrophobicContact CG2-CD2 4.27Å; I235-Y239 HydrophobicContact CG2-CE2 4.22Å; I235-Y239 WeakPolarHBondContact O-CD2 3.42Å; I235-Y239 PolarHBondContact O-N 3.22Å; I236-Y239 WeakPolarHBondContact O-CB 3.48Å; I236-Y239 PolarHBondContact O-N 3.23Å; D237-Y239 VanDerWaalsContact C-N 3.35Å; D237-Y239 PolarHBondContact O-N 3.26Å; Y239-R242 CarbonylContact O-C 3.39Å; Y239-N243 WeakPolarHBondContact O-CA 3.42Å; Y239-N243 PolarHBondContact O-N 3.2Å; Y239-L246 HydrophobicContact CD1-CB 4.48Å; Y239-L246 HydrophobicContact CD1-CD1 3.78Å; Y239-L246 HydrophobicContact CD2-CD1 4.18Å; Y239-L246 HydrophobicContact CE1-CD1 4.03Å; Y239-L246 HydrophobicContact CE2-CD1 4.41Å; Y239-L246 HydrophobicContact CG-CD1 3.85Å; Y239-N256 HydrophobicContact CE1-CB 4.22Å; Y239-N256 VanDerWaalsContact OH-CB 3.26Å; Y239-N256 WeakPolarHBondContact OH-CB 3.36Å; Y239-P258 HydrophobicContact CE2-CB 3.65Å; Y239-P258 WeakPolarHBondContact OH-CD 3.42Å; Y239-F283 HydrophobicContact CD1-CB 4.3Å; Y239-F283 AromaticContact CD1-CD1 3.68Å; Y239-F283 HydrophobicContact CD1-CD1 3.68Å; Y239-F283 AromaticContact CD1-CD2 3.99Å; Y239-F283 HydrophobicContact CD1-CD2 3.99Å; Y239-F283 AromaticContact CD1-CE1 3.92Å; Y239-F283 HydrophobicContact CD1-CE1 3.92Å; Y239-F283 HydrophobicContact CD1-CE2 4.2Å; Y239-F283 AromaticContact CD1-CG 3.72Å; Y239-F283 HydrophobicContact CD1-CG 3.72Å; Y239-F283 HydrophobicContact CD1-CZ 4.17Å; Y239-F283 HydrophobicContact CD2-CD2 4.26Å; Y239-F283 HydrophobicContact CD2-CE2 4.07Å; Y239-F283 HydrophobicContact CD2-CZ 4.44Å; Y239-F283 HydrophobicContact CE1-CB 3.93Å; Y239-F283 HydrophobicContact CE1-CD1 4.2Å; Y239-F283 HydrophobicContact CE1-CD2 4.1Å; Y239-F283 AromaticContact CE1-CG 3.83Å; Y239-F283 HydrophobicContact CE1-CG 3.83Å; Y239-F283 HydrophobicContact CE2-CD2 4.37Å; Y239-F283 HydrophobicContact CG-CD1 4.21Å; Y239-F283 HydrophobicContact CG-CD2 4.08Å; Y239-F283 HydrophobicContact CG-CE1 4.02Å; Y239-F283 AromaticContact CG-CE2 3.87Å; Y239-F283 HydrophobicContact CG-CE2 3.87Å; Y239-F283 HydrophobicContact CG-CG 4.25Å; Y239-F283 AromaticContact CG-CZ 3.84Å; Y239-F283 HydrophobicContact CG-CZ 3.84Å |
| 240 | K | 97.1 | Very high | 96.6 | Very high | 62 Ų | 62 | 29.4 Ų | 29.4 | 27% | 0.27 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 176.3 | 164.2 | 179.9 | 165.6 | -176.7 | 0 | 111.2 | I236 D237 G238 R242 N243 F323 S326 W333 | I236-K240 PolarHBondContact O-N 2.98Å; D237-K240 WeakPolarHBondContact O-CB 3.32Å; D237-K240 PolarHBondContact O-N 3.04Å; G238-K240 VanDerWaalsContact C-N 3.34Å; K240-R242 VanDerWaalsContact C-N 3.35Å; K240-N243 WeakPolarHBondContact O-CB 3.41Å; K240-N243 PolarHBondContact O-N 3.48Å; K240-F323 HydrophobicContact CB-CD2 4.22Å; K240-F323 HydrophobicContact CB-CG 4.27Å; K240-F323 HydrophobicContact CD-CD2 4Å; K240-F323 HydrophobicContact CD-CE1 4.28Å; K240-F323 HydrophobicContact CD-CE2 3.62Å; K240-F323 HydrophobicContact CD-CG 4.48Å; K240-F323 HydrophobicContact CD-CZ 3.76Å; K240-F323 HydrophobicContact CG-CD1 3.93Å; K240-F323 HydrophobicContact CG-CD2 3.8Å; K240-F323 HydrophobicContact CG-CE1 3.99Å; K240-F323 HydrophobicContact CG-CE2 3.88Å; K240-F323 HydrophobicContact CG-CG 3.82Å; K240-F323 HydrophobicContact CG-CZ 3.95Å; K240-S326 PolarHBondContact NZ-OG 2.57Å; K240-W333 HydrophobicContact CB-CH2 3.73Å; K240-W333 HydrophobicContact CB-CZ2 3.83Å |
| 241 | V | 96 | Very high | 96.6 | Very high | 64 Ų | 64 | 26.1 Ų | 26.1 | 39% | 0.388 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -67.9 | -35.8 | -178.5 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | Y201 D237 G238 | Y201-V241 HydrophobicContact CE1-CG1 4.21Å; Y201-V241 HydrophobicContact CE2-CG1 4.35Å; Y201-V241 WeakPolarHBondContact OH-CB 3.38Å; Y201-V241 WeakPolarHBondContact OH-CG1 3.48Å; D237-V241 WeakPolarHBondContact O-CB 3.39Å; D237-V241 VanDerWaalsContact O-CG2 3.29Å; D237-V241 WeakPolarHBondContact O-CG2 3.48Å; D237-V241 PolarHBondContact O-N 3.15Å; G238-V241 PolarHBondContact O-N 3.27Å |
| 242 | R | 95.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 27.9 Ų | 27.9 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 28.3 | 179.7 | -63 | -75.1 | 156.3 | -96.7 | 5.3 | 113.1 | W200 Y201 G238 Y239 K240 D244 V245 L246 | W200-R242 HydrophobicContact CE3-CG 4.45Å; W200-R242 HydrophobicContact CH2-CB 4.04Å; W200-R242 HydrophobicContact CH2-CG 3.79Å; W200-R242 HydrophobicContact CZ3-CB 3.88Å; W200-R242 HydrophobicContact CZ3-CG 3.54Å; Y201-R242 HydrophobicContact CD2-CG 4.01Å; Y201-R242 HydrophobicContact CE2-CG 4.02Å; Y201-R242 PolarHBondContact O-NE 2.93Å; Y201-R242 PolarHBondContact O-NH2 3.49Å; G238-R242 PolarHBondContact O-N 3.3Å; Y239-R242 CarbonylContact O-C 3.39Å; K240-R242 VanDerWaalsContact C-N 3.35Å; R242-D244 VanDerWaalsContact C-OD1 3.3Å; R242-D244 WeakPolarHBondContact CA-OD1 3.39Å; R242-D244 PolarHBondContact O-N 3.32Å; R242-V245 PolarHBondContact O-N 3.06Å; R242-L246 HydrophobicContact CB-CD1 3.93Å; R242-L246 HydrophobicContact CB-CG 4.08Å; R242-L246 PolarHBondContact O-N 3.33Å |
| 243 | N | 96.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.08 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.1 | 177.1 | -172.5 | 69 | 0 | 0 | 0 | 112.9 | Y239 K240 V245 P247 E322 F323 | Y239-N243 WeakPolarHBondContact O-CA 3.42Å; Y239-N243 PolarHBondContact O-N 3.2Å; K240-N243 WeakPolarHBondContact O-CB 3.41Å; K240-N243 PolarHBondContact O-N 3.48Å; N243-V245 VanDerWaalsContact C-N 3.26Å; N243-V245 PolarHBondContact O-N 3Å; N243-P247 VanDerWaalsContact O-CD 3.26Å; N243-P247 WeakPolarHBondContact O-CD 3.49Å; N243-P247 WeakPolarHBondContact O-CG 3.46Å; N243-E322 VanDerWaalsContact OD1-CA 3.23Å; N243-E322 WeakPolarHBondContact OD1-CA 3.39Å; N243-F323 HydrophobicContact CB-CB 4.14Å; N243-F323 PolarHBondContact ND2-O 2.68Å; N243-F323 PolarHBondContact OD1-N 2.81Å |
| 244 | D | 94.6 | Very high | 96.6 | Very high | 66 Ų | 66 | 29 Ų | 29 | 35% | 0.353 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.9 | 173.4 | 62.3 | -50.8 | 0 | 0 | 0 | 113.6 | R242 K248 | R242-D244 VanDerWaalsContact C-OD1 3.3Å; R242-D244 WeakPolarHBondContact CA-OD1 3.39Å; R242-D244 PolarHBondContact O-N 3.32Å; D244-K248 WeakPolarHBondContact O-CD 3.32Å; D244-K248 WeakPolarHBondContact O-CE 3.47Å; D244-K248 PolarHBondContact O-NZ 3.17Å |
| 245 | V | 95.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 27.1 Ų | 27.1 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -61 | -174.9 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | P204 W209 R242 N243 K248 V249 | P204-V245 HydrophobicContact CB-CG2 3.69Å; P204-V245 HydrophobicContact CG-CG2 4.31Å; W209-V245 HydrophobicContact CD2-CG1 3.9Å; W209-V245 HydrophobicContact CG-CG1 4.23Å; W209-V245 HydrophobicContact CH2-CG1 4.48Å; W209-V245 HydrophobicContact CZ2-CG1 3.88Å; R242-V245 PolarHBondContact O-N 3.06Å; N243-V245 VanDerWaalsContact C-N 3.26Å; N243-V245 PolarHBondContact O-N 3Å; V245-K248 WeakPolarHBondContact O-CB 3.41Å; V245-K248 PolarHBondContact O-N 2.85Å; V245-V249 HydrophobicContact CG1-CG2 3.89Å; V245-V249 PolarHBondContact O-N 3.1Å |
| 246 | L | 96.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58 | -43.7 | -162.5 | -61.7 | 170 | 0 | 0 | 0 | 113.7 | W200 Y239 R242 K248 V249 A250 N256 Q320 | W200-L246 HydrophobicContact CH2-CD1 4.43Å; W200-L246 HydrophobicContact CH2-CD2 3.94Å; W200-L246 HydrophobicContact CH2-CG 4.41Å; W200-L246 HydrophobicContact CZ3-CD2 4.35Å; Y239-L246 HydrophobicContact CD1-CB 4.48Å; Y239-L246 HydrophobicContact CD1-CD1 3.78Å; Y239-L246 HydrophobicContact CD2-CD1 4.18Å; Y239-L246 HydrophobicContact CE1-CD1 4.03Å; Y239-L246 HydrophobicContact CE2-CD1 4.41Å; Y239-L246 HydrophobicContact CG-CD1 3.85Å; R242-L246 HydrophobicContact CB-CD1 3.93Å; R242-L246 HydrophobicContact CB-CG 4.08Å; R242-L246 PolarHBondContact O-N 3.33Å; L246-K248 PolarHBondContact O-N 2.88Å; L246-V249 PolarHBondContact O-N 3.44Å; L246-A250 PolarHBondContact O-N 3.46Å; L246-A250 VanDerWaalsContact O-N 3.14Å; L246-N256 PolarHBondContact O-ND2 3.34Å; L246-Q320 VanDerWaalsContact CB-NE2 3.29Å |
| 247 | P | 97 | Very high | 96.7 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -26.8 | 178.5 | -23.6 | 35.6 | 0 | 0 | 0 | 114.2 | N243 E322 | N243-P247 VanDerWaalsContact O-CD 3.26Å; N243-P247 WeakPolarHBondContact O-CD 3.49Å; N243-P247 WeakPolarHBondContact O-CG 3.46Å; P247-E322 HydrophobicContact CB-CG 3.78Å; P247-E322 HydrophobicContact CG-CG 3.78Å |
| 248 | K | 95.2 | Very high | 96.8 | Very high | 109 Ų | 109 | 24.8 Ų | 24.8 | 47% | 0.474 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -82.8 | -19.6 | 178 | -59.7 | 169.1 | -173.2 | 158.1 | 0 | 112.7 | Q213 D244 V245 L246 M371 | Q213-K248 PolarHBondContact NE2-O 3.2Å; D244-K248 WeakPolarHBondContact O-CD 3.32Å; D244-K248 WeakPolarHBondContact O-CE 3.47Å; D244-K248 PolarHBondContact O-NZ 3.17Å; V245-K248 WeakPolarHBondContact O-CB 3.41Å; V245-K248 PolarHBondContact O-N 2.85Å; L246-K248 PolarHBondContact O-N 2.88Å; K248-M371 HydrophobicContact CG-SD 3.92Å |
| 249 | V | 94.6 | Very high | 96.8 | Very high | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.036 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -87.8 | -35.2 | -179.2 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | W209 Q213 I219 V245 L246 H254 | W209-V249 HydrophobicContact CB-CG2 3.85Å; W209-V249 HydrophobicContact CD2-CG2 3.9Å; W209-V249 HydrophobicContact CE3-CB 4.44Å; W209-V249 HydrophobicContact CE3-CG1 3.9Å; W209-V249 HydrophobicContact CE3-CG2 3.83Å; W209-V249 HydrophobicContact CG-CG2 3.92Å; Q213-V249 HydrophobicContact CG-CG1 4.04Å; Q213-V249 PolarHBondContact NE2-O 3.27Å; I219-V249 HydrophobicContact CD1-CG1 3.67Å; V245-V249 HydrophobicContact CG1-CG2 3.89Å; V245-V249 PolarHBondContact O-N 3.1Å; L246-V249 PolarHBondContact O-N 3.44Å; V249-H254 PolarHBondContact O-CE1 2.56Å; V249-H254 PolarHBondContact O-ND1 2.81Å |
| 250 | A | 97.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 25 Ų | 25 | 11% | 0.107 | 13% | 0.131 | C | C | . | . | trans | -75.1 | 146 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L246 H254 Q320 | L246-A250 PolarHBondContact O-N 3.46Å; L246-A250 VanDerWaalsContact O-N 3.14Å; A250-H254 CarbonylContact C-O 3.53Å; A250-H254 VanDerWaalsContact CA-O 3.31Å; A250-H254 WeakPolarHBondContact CA-O 3.49Å; A250-Q320 HydrophobicContact CB-CB 3.69Å; A250-Q320 HydrophobicContact CB-CG 4.46Å | ||
| 251 | G | 97.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 22 Ų | 22 | 6% | 0.062 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | 170.6 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G253 H254 | G251-G253 PolarHBondContact O-N 3.29Å; G251-H254 PolarHBondContact N-ND1 2.76Å; G251-H254 PolarHBondContact N-O 2.83Å; G251-H254 CarbonylContact O-C 3.58Å; G251-H254 PolarHBondContact O-N 3.13Å; G251-H254 VanDerWaalsContact O-O 3.06Å |
| 252 | P | 97.8 | Very high | 97 | Very high | 53 Ų | 53 | 19 Ų | 19 | 34% | 0.344 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 110.9 | -179.6 | -28.5 | 37.1 | 0 | 0 | 0 | 113 | W255 | P252-W255 HydrophobicContact CG-CH2 4.46Š|
| 253 | G | 97.1 | Very high | 97 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.1 | -12.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A27 N217 G251 | A27-G253 WeakPolarHBondContact O-CA 3.35Å; A27-G253 PolarHBondContact O-N 3.45Å; N217-G253 VanDerWaalsContact CA-O 3.24Å; N217-G253 WeakPolarHBondContact CA-O 3.46Å; N217-G253 PolarHBondContact ND2-O 2.97Å; G251-G253 PolarHBondContact O-N 3.29Å |
| 254 | H | 97.4 | Very high | 96.9 | Very high | 43 Ų | 43 | 17.1 Ų | 17.1 | 20% | 0.199 | 10% | 0.096 | C | C | . | . | B | Isolated β-bridge | trans | -149.7 | 101.8 | -179.9 | 49.6 | 73.8 | 0 | 0 | 0 | 111.6 | Q213 N217 V249 A250 G251 | Q213-H254 HydrophobicContact CB-CB 4.43Å; Q213-H254 HydrophobicContact CG-CB 4.41Å; Q213-H254 PolarHBondContact NE2-CE1 2.82Å; N217-H254 CarbonylContact O-C 3.5Å; N217-H254 WeakPolarHBondContact O-CA 3.47Å; V249-H254 PolarHBondContact O-CE1 2.56Å; V249-H254 PolarHBondContact O-ND1 2.81Å; A250-H254 CarbonylContact C-O 3.53Å; A250-H254 VanDerWaalsContact CA-O 3.31Å; A250-H254 WeakPolarHBondContact CA-O 3.49Å; G251-H254 PolarHBondContact N-ND1 2.76Å; G251-H254 PolarHBondContact N-O 2.83Å; G251-H254 CarbonylContact O-C 3.58Å; G251-H254 PolarHBondContact O-N 3.13Å; G251-H254 VanDerWaalsContact O-O 3.06Å |
| 255 | W | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 147.5 | -175.8 | -47.7 | 92.3 | 0 | 0 | 0 | 112.7 | A27 T29 P30 N217 L218 I219 P252 A284 G318 | A27-W255 PolarHBondContact O-NE1 2.86Å; T29-W255 PolarHBondContact O-NE1 2.88Å; P30-W255 HydrophobicContact CB-CD2 4.39Å; P30-W255 HydrophobicContact CG-CD2 3.88Å; P30-W255 HydrophobicContact CG-CE3 3.85Å; P30-W255 HydrophobicContact CG-CH2 4.13Å; P30-W255 HydrophobicContact CG-CZ2 4.17Å; P30-W255 HydrophobicContact CG-CZ3 3.98Å; N217-W255 PolarHBondContact O-N 3.17Å; L218-W255 CarbonylContact C-O 3.57Å; L218-W255 WeakPolarHBondContact CA-O 3.37Å; L218-W255 HydrophobicContact CD2-CB 3.66Å; L218-W255 HydrophobicContact CD2-CG 4.06Å; I219-W255 PolarHBondContact N-O 2.96Å; P252-W255 HydrophobicContact CG-CH2 4.46Å; W255-A284 HydrophobicContact CE3-CB 3.84Å; W255-A284 HydrophobicContact CZ3-CB 3.67Å; W255-G318 VanDerWaalsContact CH2-CA 3.41Å; W255-G318 WeakPolarHBondContact CZ3-O 3.45Å |
| 256 | N | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.8 | 164 | -60.7 | -57.9 | 0 | 0 | 0 | 108.8 | Y239 L246 P258 P286 Q320 | Y239-N256 HydrophobicContact CE1-CB 4.22Å; Y239-N256 VanDerWaalsContact OH-CB 3.26Å; Y239-N256 WeakPolarHBondContact OH-CB 3.36Å; L246-N256 PolarHBondContact O-ND2 3.34Å; N256-P258 WeakPolarHBondContact O-CD 3.49Å; N256-P286 WeakPolarHBondContact O-CD 3.49Å; N256-Q320 PolarHBondContact ND2-OE1 3.28Å |
| 257 | D | 98.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 105.5 | 178.9 | -179.1 | 9.2 | 0 | 0 | 0 | 108.8 | L191 I219 R220 D259 P286 | L191-D257 HydrophobicContact CD1-CB 4.22Å; L191-D257 WeakPolarHBondContact CD2-OD2 3.44Å; I219-D257 PolarHBondContact O-N 3.29Å; R220-D257 HydrophobicContact CB-CB 3.98Å; R220-D257 HydrophobicContact CG-CB 4.03Å; R220-D257 WeakPolarHBondContact CG-O 3.39Å; D257-D259 PolarHBondContact O-N 3.33Å; D257-D259 VanDerWaalsContact OD1-CA 3.29Å; D257-D259 WeakPolarHBondContact OD1-CA 3.47Å; D257-D259 PolarHBondContact OD1-N 2.88Å; D257-P286 HydrophobicContact CB-CG 4.27Å |
| 258 | P | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -76.8 | 8.1 | 171.6 | 32.6 | -34.8 | 0 | 0 | 0 | 113.6 | I235 Y239 N256 W280 A285 | I235-P258 HydrophobicContact CG2-CB 3.68Å; Y239-P258 HydrophobicContact CE2-CB 3.65Å; Y239-P258 WeakPolarHBondContact OH-CD 3.42Å; N256-P258 WeakPolarHBondContact O-CD 3.49Å; P258-W280 HydrophobicContact CB-CD2 4.41Å; P258-W280 HydrophobicContact CB-CH2 4.04Å; P258-W280 HydrophobicContact CB-CZ2 3.55Å; P258-W280 HydrophobicContact CG-CD2 3.94Å; P258-W280 VanDerWaalsContact CG-CE2 3.43Å; P258-W280 HydrophobicContact CG-CG 4.15Å; P258-W280 HydrophobicContact CG-CZ2 3.79Å; P258-W280 VanDerWaalsContact O-CZ2 3.27Å; P258-W280 WeakPolarHBondContact O-CZ2 3.45Å; P258-A285 VanDerWaalsContact CD-CB 3.48Å; P258-A285 HydrophobicContact CG-CB 3.4Å; P258-A285 VanDerWaalsContact CG-CB 3.4Å | ||
| 259 | D | 97.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | trans | 78.4 | -177.9 | -174.1 | -161.1 | 26.3 | 0 | 0 | 0 | 113.8 | N224 S225 D257 W280 | N224-D259 VanDerWaalsContact CA-OD2 3.28Å; N224-D259 WeakPolarHBondContact CA-OD2 3.02Å; S225-D259 PolarHBondContact N-OD2 3.45Å; S225-D259 VanDerWaalsContact OG-CG 3.3Å; S225-D259 PolarHBondContact OG-OD2 3Å; D257-D259 PolarHBondContact O-N 3.33Å; D257-D259 VanDerWaalsContact OD1-CA 3.29Å; D257-D259 WeakPolarHBondContact OD1-CA 3.47Å; D257-D259 PolarHBondContact OD1-N 2.88Å; D259-W280 PolarHBondContact O-NE1 3.35Å | ||
| 260 | M | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | trans | -66.4 | 156.8 | -165.1 | -63.8 | 162.1 | -78 | 0 | 0 | 116.6 | N35 W37 Q38 S225 H276 I288 S290 | N35-M260 HydrophobicContact CB-CG 4.28Å; N35-M260 HydrophobicContact CB-SD 3.82Å; W37-M260 HydrophobicContact CB-CE 3.86Å; W37-M260 HydrophobicContact CB-SD 3.99Å; W37-M260 HydrophobicContact CG-CE 4.24Å; Q38-M260 HydrophobicContact CG-CE 3.69Å; Q38-M260 HydrophobicContact CG-SD 4.25Å; S225-M260 PolarHBondContact OG-N 3.02Å; S225-M260 PolarHBondContact OG-O 3.39Å; M260-H276 PolarHBondContact O-NE2 2.91Å; M260-I288 CarbonylContact C-O 3.59Å; M260-I288 WeakPolarHBondContact CA-O 3.38Å; M260-I288 WeakPolarHBondContact CB-O 3.36Å; M260-I288 HydrophobicContact CG-CG2 4.29Å; M260-S290 VanDerWaalsContact SD-CB 3.53Å | ||
| 261 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 115.3 | 164.7 | -65.9 | 174.8 | 0 | 0 | 0 | 110.7 | L263 M277 W280 L287 I288 S290 L304 | L261-L263 VanDerWaalsContact C-N 3.33Å; L261-L263 HydrophobicContact CB-CD1 4.43Å; L261-L263 HydrophobicContact CD1-CD1 4.5Å; L261-L263 HydrophobicContact CD2-CD1 4.25Å; L261-M277 HydrophobicContact CD1-SD 3.9Å; L261-M277 HydrophobicContact CD2-SD 4.36Å; L261-W280 HydrophobicContact CD2-CB 4.02Å; L261-W280 HydrophobicContact CD2-CD2 4.27Å; L261-W280 HydrophobicContact CD2-CG 3.7Å; L261-L287 HydrophobicContact CD1-CB 3.85Å; L261-L287 HydrophobicContact CD1-CD2 3.97Å; L261-L287 HydrophobicContact CD1-CG 4.47Å; L261-I288 PolarHBondContact N-O 3.21Å; L261-S290 PolarHBondContact O-N 3.31Å; L261-L304 HydrophobicContact CD1-CD2 3.76Å |
| 262 | V | 96.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -95.3 | 17.6 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | Q38 N265 L268 H276 | Q38-V262 HydrophobicContact CB-CG1 4.21Å; Q38-V262 HydrophobicContact CG-CG1 3.84Å; V262-N265 VanDerWaalsContact O-CB 3.32Å; V262-N265 WeakPolarHBondContact O-CB 3.49Å; V262-N265 PolarHBondContact O-N 2.9Å; V262-N265 VanDerWaalsContact O-N 3.12Å; V262-L268 HydrophobicContact CG2-CD1 3.89Å; V262-H276 PolarHBondContact N-NE2 3.4Å | ||
| 263 | L | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 134.9 | 174.1 | -64.5 | 161.6 | 0 | 0 | 0 | 109.4 | L261 K273 M277 T291 L303 L304 | L261-L263 VanDerWaalsContact C-N 3.33Å; L261-L263 HydrophobicContact CB-CD1 4.43Å; L261-L263 HydrophobicContact CD1-CD1 4.5Å; L261-L263 HydrophobicContact CD2-CD1 4.25Å; L263-K273 HydrophobicContact CD2-CB 3.53Å; L263-K273 HydrophobicContact CD2-CD 4.43Å; L263-K273 HydrophobicContact CD2-CG 3.76Å; L263-M277 HydrophobicContact CD1-CB 3.89Å; L263-M277 HydrophobicContact CD1-CG 4.3Å; L263-M277 HydrophobicContact CD1-SD 3.9Å; L263-T291 VanDerWaalsContact O-CB 3.25Å; L263-T291 WeakPolarHBondContact O-CB 3.39Å; L263-T291 VanDerWaalsContact O-CG2 3.28Å; L263-T291 WeakPolarHBondContact O-CG2 3.35Å; L263-L303 HydrophobicContact CD2-CD1 4.29Å; L263-L304 HydrophobicContact CB-CD1 4.13Å; L263-L304 HydrophobicContact CB-CD2 4.42Å; L263-L304 HydrophobicContact CB-CG 4.28Å; L263-L304 HydrophobicContact CD1-CD2 3.59Å; L263-L304 HydrophobicContact CD1-CG 3.9Å |
| 264 | G | 94 | Very high | 96.8 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 14% | 0.144 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -17.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114 | S300 | G264-S300 PolarHBondContact N-OG 3.13Š|
| 265 | N | 93.2 | Very high | 96.9 | Very high | 32 Ų | 32 | 27.4 Ų | 27.4 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -84.4 | 165.4 | 171.1 | -57.9 | -26.2 | 0 | 0 | 0 | 111.1 | S227 V262 S290 T291 | S227-N265 WeakPolarHBondContact OG-CB 3.11Å; V262-N265 VanDerWaalsContact O-CB 3.32Å; V262-N265 WeakPolarHBondContact O-CB 3.49Å; V262-N265 PolarHBondContact O-N 2.9Å; V262-N265 VanDerWaalsContact O-N 3.12Å; N265-S290 PolarHBondContact ND2-O 3.06Å; N265-T291 PolarHBondContact N-OG1 3.22Å; N265-T291 WeakPolarHBondContact OD1-CA 3.49Å; N265-T291 VanDerWaalsContact OD1-CB 3.29Å; N265-T291 WeakPolarHBondContact OD1-CB 3.45Å; N265-T291 PolarHBondContact OD1-OG1 2.9Å |
| 266 | N | 90.2 | Very high | 96.9 | Very high | 153 Ų | 153 | 27.4 Ų | 27.4 | 82% | 0.818 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -80.9 | 146.8 | 175.7 | -65.1 | -37.7 | 0 | 0 | 0 | 111.1 | S227 | S227-N266 WeakPolarHBondContact CB-O 3.43Å; S227-N266 PolarHBondContact OG-O 3.42Å |
| 267 | G | 93.9 | Very high | 96.9 | Very high | 52 Ų | 52 | 27.3 Ų | 27.3 | 54% | 0.536 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 119.6 | -2.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S227 | S227-G267 WeakPolarHBondContact O-CA 3.43Š|
| 268 | L | 96.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 26.9 Ų | 26.9 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | trans | -118.8 | 134.5 | 170.6 | -60.5 | 178.8 | 0 | 0 | 0 | 110.6 | S228 W229 V232 V262 Q272 K273 H276 | S228-L268 VanDerWaalsContact C-CD2 3.45Å; W229-L268 HydrophobicContact CB-CD2 4.48Å; V232-L268 HydrophobicContact CG2-CD1 4.07Å; V232-L268 HydrophobicContact CG2-CD2 4.04Å; V262-L268 HydrophobicContact CG2-CD1 3.89Å; L268-Q272 HydrophobicContact CB-CB 4.12Å; L268-Q272 HydrophobicContact CD2-CB 4.16Å; L268-K273 HydrophobicContact CB-CG 3.81Å; L268-K273 HydrophobicContact CD1-CG 4.5Å; L268-K273 WeakPolarHBondContact O-CE 3.38Å; L268-H276 HydrophobicContact CD1-CB 4.46Å | ||
| 269 | S | 96.7 | Very high | 96.9 | Very high | 48 Ų | 48 | 26.9 Ų | 26.9 | 34% | 0.336 | 16% | 0.156 | S | C | . | . | trans | -68.7 | 167.2 | 167 | 77.5 | 0 | 0 | 0 | 0 | 111 | D271 Q272 K273 | S269-D271 VanDerWaalsContact C-N 3.31Å; S269-D271 PolarHBondContact O-N 3.33Å; S269-Q272 PolarHBondContact O-N 3.19Å; S269-Q272 VanDerWaalsContact OG-CG 3.26Å; S269-Q272 WeakPolarHBondContact OG-CG 3.29Å; S269-Q272 PolarHBondContact OG-N 2.81Å; S269-K273 VanDerWaalsContact O-CG 3.28Å; S269-K273 WeakPolarHBondContact O-CG 3.25Å; S269-K273 PolarHBondContact O-N 3.5Å | ||
| 270 | N | 97.3 | Very high | 97 | Very high | 78 Ų | 78 | 26.6 Ų | 26.6 | 42% | 0.417 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.6 | -76.8 | -4.9 | 0 | 0 | 0 | 112.9 | K273 R274 F299 | N270-K273 PolarHBondContact O-N 3.12Å; N270-R274 PolarHBondContact O-N 2.8Å; N270-F299 HydrophobicContact CB-CD1 3.86Å; N270-F299 HydrophobicContact CB-CD2 4.4Å; N270-F299 HydrophobicContact CB-CE1 3.47Å; N270-F299 VanDerWaalsContact CB-CE1 3.47Å; N270-F299 HydrophobicContact CB-CE2 4.05Å; N270-F299 HydrophobicContact CB-CG 4.3Å; N270-F299 HydrophobicContact CB-CZ 3.56Å; N270-F299 VanDerWaalsContact CG-CD1 3.47Å; N270-F299 WeakPolarHBondContact O-CE1 3.45Å; N270-F299 WeakPolarHBondContact O-CZ 3.43Å; N270-F299 VanDerWaalsContact OD1-CD1 3.25Å; N270-F299 WeakPolarHBondContact OD1-CD1 3.28Å |
| 271 | D | 97.9 | Very high | 97 | Very high | 42 Ų | 42 | 26.3 Ų | 26.3 | 23% | 0.225 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 174 | -73.7 | -58.1 | 0 | 0 | 0 | 111.6 | S269 K273 R274 V275 N404 S406 | S269-D271 VanDerWaalsContact C-N 3.31Å; S269-D271 PolarHBondContact O-N 3.33Å; D271-K273 PolarHBondContact O-N 3.39Å; D271-R274 WeakPolarHBondContact O-CB 3.35Å; D271-R274 PolarHBondContact O-N 3.44Å; D271-R274 VanDerWaalsContact O-N 3.16Å; D271-V275 WeakPolarHBondContact O-CG2 3.19Å; D271-V275 PolarHBondContact O-N 3.39Å; D271-N404 PolarHBondContact OD1-ND2 3.01Å; D271-N404 PolarHBondContact OD2-ND2 2.87Å; D271-S406 CarbonylContact C-O 3.58Å |
| 272 | Q | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 13% | 0.126 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.2 | -35.4 | 177.4 | -65.8 | 166.2 | -4.9 | 0 | 0 | 112.5 | W229 L268 S269 R274 V275 H276 S406 | W229-Q272 HydrophobicContact CB-CG 4.49Å; W229-Q272 HydrophobicContact CD2-CG 3.79Å; W229-Q272 HydrophobicContact CE3-CB 3.75Å; W229-Q272 HydrophobicContact CE3-CG 3.47Å; W229-Q272 VanDerWaalsContact CE3-CG 3.47Å; W229-Q272 HydrophobicContact CG-CG 4.24Å; W229-Q272 HydrophobicContact CZ3-CB 4.08Å; W229-Q272 HydrophobicContact CZ3-CG 3.93Å; L268-Q272 HydrophobicContact CB-CB 4.12Å; L268-Q272 HydrophobicContact CD2-CB 4.16Å; S269-Q272 PolarHBondContact O-N 3.19Å; S269-Q272 VanDerWaalsContact OG-CG 3.26Å; S269-Q272 WeakPolarHBondContact OG-CG 3.29Å; S269-Q272 PolarHBondContact OG-N 2.81Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; Q272-V275 PolarHBondContact O-N 2.71Å; Q272-H276 WeakPolarHBondContact O-CB 3.36Å; Q272-H276 PolarHBondContact O-N 3.44Å; Q272-S406 PolarHBondContact N-O 2.98Å; Q272-S406 PolarHBondContact NE2-OG 2.96Å |
| 273 | K | 98.4 | Very high | 97.1 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 171.5 | -72.2 | 175.9 | -178.6 | -179.5 | 0 | 111.2 | L263 L268 S269 N270 D271 H276 M277 D297 F299 S300 L303 | L263-K273 HydrophobicContact CD2-CB 3.53Å; L263-K273 HydrophobicContact CD2-CD 4.43Å; L263-K273 HydrophobicContact CD2-CG 3.76Å; L268-K273 HydrophobicContact CB-CG 3.81Å; L268-K273 HydrophobicContact CD1-CG 4.5Å; L268-K273 WeakPolarHBondContact O-CE 3.38Å; S269-K273 VanDerWaalsContact O-CG 3.28Å; S269-K273 WeakPolarHBondContact O-CG 3.25Å; S269-K273 PolarHBondContact O-N 3.5Å; N270-K273 PolarHBondContact O-N 3.12Å; D271-K273 PolarHBondContact O-N 3.39Å; K273-H276 PolarHBondContact O-N 2.78Å; K273-M277 PolarHBondContact O-N 2.88Å; K273-D297 IonicContact NZ-OD1 3.61Å; K273-D297 PolarHBondContact NZ-OD1 2.97Å; K273-D297 IonicContact NZ-OD2 3.37Å; K273-D297 PolarHBondContact NZ-OD2 3.15Å; K273-F299 HydrophobicContact CB-CD1 4.36Å; K273-F299 HydrophobicContact CB-CE1 4.01Å; K273-F299 HydrophobicContact CD-CD1 3.93Å; K273-F299 HydrophobicContact CD-CE1 4.36Å; K273-S300 PolarHBondContact NZ-OG 3Å; K273-L303 HydrophobicContact CB-CD1 3.86Å |
| 274 | R | 98.4 | Very high | 97.2 | Very high | 74 Ų | 74 | 26.2 Ų | 26.2 | 28% | 0.279 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 172.8 | -76.8 | 176 | 172.5 | -177.8 | -4.2 | 111.6 | N270 D271 Q272 H276 G278 F299 L303 F385 I408 | N270-R274 PolarHBondContact O-N 2.8Å; D271-R274 WeakPolarHBondContact O-CB 3.35Å; D271-R274 PolarHBondContact O-N 3.44Å; D271-R274 VanDerWaalsContact O-N 3.16Å; Q272-R274 VanDerWaalsContact C-N 3.32Å; R274-H276 VanDerWaalsContact C-N 3.33Å; R274-H276 PolarHBondContact O-N 2.84Å; R274-G278 WeakPolarHBondContact O-CA 3.36Å; R274-G278 PolarHBondContact O-N 3.17Å; R274-F299 HydrophobicContact CG-CE1 4.3Å; R274-F299 HydrophobicContact CG-CZ 3.87Å; R274-L303 HydrophobicContact CG-CD1 4.19Å; R274-L303 HydrophobicContact CG-CD2 3.9Å; R274-F385 HydrophobicContact CB-CD1 4.45Å; R274-F385 HydrophobicContact CB-CE1 3.81Å; R274-F385 HydrophobicContact CB-CZ 4.02Å; R274-F385 HydrophobicContact CG-CD1 4.05Å; R274-F385 HydrophobicContact CG-CE1 3.89Å; R274-F385 HydrophobicContact CG-CZ 4.46Å; R274-I408 VanDerWaalsContact C-CG2 3.47Å; R274-I408 HydrophobicContact CB-CG2 3.71Å |
| 275 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.9 | -48 | 175.5 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | W229 I236 D271 Q272 G278 M279 V349 S406 I408 | W229-V275 HydrophobicContact CH2-CB 4.13Å; W229-V275 HydrophobicContact CH2-CG1 3.84Å; W229-V275 HydrophobicContact CH2-CG2 4Å; W229-V275 HydrophobicContact CZ3-CB 3.91Å; W229-V275 HydrophobicContact CZ3-CG1 3.84Å; W229-V275 HydrophobicContact CZ3-CG2 4.18Å; I236-V275 HydrophobicContact CD1-CG1 3.53Å; D271-V275 WeakPolarHBondContact O-CG2 3.19Å; D271-V275 PolarHBondContact O-N 3.39Å; Q272-V275 PolarHBondContact O-N 2.71Å; V275-G278 PolarHBondContact O-N 3.34Å; V275-M279 HydrophobicContact CG1-CG 4.03Å; V275-M279 VanDerWaalsContact O-CB 3.31Å; V275-M279 WeakPolarHBondContact O-CB 3.37Å; V275-M279 WeakPolarHBondContact O-CG 3.2Å; V275-M279 PolarHBondContact O-N 3.12Å; V275-V349 HydrophobicContact CG1-CG1 4.01Å; V275-V349 HydrophobicContact CG2-CG1 4.2Å; V275-S406 VanDerWaalsContact CG2-O 3.23Å; V275-S406 WeakPolarHBondContact CG2-O 3.38Å; V275-I408 HydrophobicContact CB-CG2 4.32Å; V275-I408 HydrophobicContact CG2-CB 3.83Å; V275-I408 HydrophobicContact CG2-CG2 3.87Å |
| 276 | H | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.8 | -57.2 | -178 | -167.5 | 37.5 | 0 | 0 | 0 | 111.9 | V232 M260 V262 L268 Q272 K273 R274 G278 W280 | V232-H276 HydrophobicContact CG1-CB 3.97Å; V232-H276 HydrophobicContact CG2-CB 4.41Å; M260-H276 PolarHBondContact O-NE2 2.91Å; V262-H276 PolarHBondContact N-NE2 3.4Å; L268-H276 HydrophobicContact CD1-CB 4.46Å; Q272-H276 WeakPolarHBondContact O-CB 3.36Å; Q272-H276 PolarHBondContact O-N 3.44Å; K273-H276 PolarHBondContact O-N 2.78Å; R274-H276 VanDerWaalsContact C-N 3.33Å; R274-H276 PolarHBondContact O-N 2.84Å; H276-G278 PolarHBondContact O-N 3.35Å; H276-W280 AromaticContact CE1-CD2 3.74Å; H276-W280 AromaticContact CE1-CE2 3.55Å; H276-W280 AromaticContact CE1-CE3 3.67Å; H276-W280 AromaticContact CE1-CH2 3.36Å; H276-W280 WeakPolarHBondContact CE1-CH2 3.36Å; H276-W280 AromaticContact CE1-CZ2 3.38Å; H276-W280 WeakPolarHBondContact CE1-CZ2 3.46Å; H276-W280 AromaticContact CE1-CZ3 3.49Å; H276-W280 VanDerWaalsContact CE1-CZ3 3.49Å; H276-W280 WeakPolarHBondContact CE1-CZ3 3.28Å; H276-W280 AromaticContact ND1-CD2 3.89Å; H276-W280 AromaticContact ND1-CE3 3.4Å; H276-W280 AromaticContact ND1-CH2 3.61Å; H276-W280 AromaticContact ND1-CZ3 3.26Å; H276-W280 VanDerWaalsContact ND1-CZ3 3.26Å; H276-W280 WeakPolarHBondContact ND1-CZ3 3.43Å; H276-W280 VanDerWaalsContact O-CE3 3.26Å; H276-W280 PolarHBondContact O-N 2.97Å; H276-W280 VanDerWaalsContact O-N 3.14Å |
| 277 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 178.6 | -172.3 | 61.6 | -177.6 | 0 | 0 | 111.7 | L261 L263 K273 W280 C281 L287 L303 L304 L309 L310 | L261-M277 HydrophobicContact CD1-SD 3.9Å; L261-M277 HydrophobicContact CD2-SD 4.36Å; L263-M277 HydrophobicContact CD1-CB 3.89Å; L263-M277 HydrophobicContact CD1-CG 4.3Å; L263-M277 HydrophobicContact CD1-SD 3.9Å; K273-M277 PolarHBondContact O-N 2.88Å; M277-W280 PolarHBondContact O-N 3.16Å; M277-C281 PolarHBondContact O-N 2.89Å; M277-C281 PolarHBondContact O-SG 3.31Å; M277-L287 HydrophobicContact CE-CD1 3.95Å; M277-L303 HydrophobicContact CB-CB 4.33Å; M277-L303 HydrophobicContact CG-CB 4.23Å; M277-L304 HydrophobicContact SD-CD2 4.13Å; M277-L309 HydrophobicContact CE-CB 4.44Å; M277-L309 HydrophobicContact CG-CD1 3.77Å; M277-L310 HydrophobicContact CE-CD2 4Å |
| 278 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R274 V275 H276 C281 M282 M410 | R274-G278 WeakPolarHBondContact O-CA 3.36Å; R274-G278 PolarHBondContact O-N 3.17Å; V275-G278 PolarHBondContact O-N 3.34Å; H276-G278 PolarHBondContact O-N 3.35Å; G278-C281 WeakPolarHBondContact O-CB 3.26Å; G278-C281 PolarHBondContact O-N 2.98Å; G278-M282 WeakPolarHBondContact O-CG 3.47Å; G278-M282 PolarHBondContact O-N 2.82Å; G278-M410 WeakPolarHBondContact CA-SD 2.99Å |
| 279 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.7 | -35.2 | 179.8 | -68 | -53.6 | -58.7 | 0 | 0 | 112.6 | I236 V275 C281 M282 F283 W333 A347 V349 I408 | I236-M279 HydrophobicContact CD1-CB 3.91Å; I236-M279 HydrophobicContact CD1-CG 3.76Å; I236-M279 HydrophobicContact CG1-CB 3.96Å; I236-M279 HydrophobicContact CG1-CG 4.14Å; I236-M279 HydrophobicContact CG2-CE 4.28Å; V275-M279 HydrophobicContact CG1-CG 4.03Å; V275-M279 VanDerWaalsContact O-CB 3.31Å; V275-M279 WeakPolarHBondContact O-CB 3.37Å; V275-M279 WeakPolarHBondContact O-CG 3.2Å; V275-M279 PolarHBondContact O-N 3.12Å; M279-C281 VanDerWaalsContact C-N 3.32Å; M279-C281 PolarHBondContact O-N 3.18Å; M279-M282 HydrophobicContact CE-CB 4.39Å; M279-M282 CarbonylContact O-C 3.41Å; M279-M282 PolarHBondContact O-N 3.27Å; M279-M282 VanDerWaalsContact O-N 3.1Å; M279-M282 HydrophobicContact SD-CG 4.48Å; M279-F283 HydrophobicContact CB-CE2 4.03Å; M279-F283 HydrophobicContact CB-CZ 4.28Å; M279-F283 HydrophobicContact CE-CD1 4.46Å; M279-F283 HydrophobicContact CE-CE1 3.53Å; M279-F283 HydrophobicContact CE-CE2 4.3Å; M279-F283 HydrophobicContact CE-CZ 3.44Å; M279-F283 VanDerWaalsContact CE-CZ 3.44Å; M279-F283 WeakPolarHBondContact O-CB 3.39Å; M279-F283 WeakPolarHBondContact O-CD2 3.46Å; M279-F283 WeakPolarHBondContact O-CG 3.31Å; M279-F283 PolarHBondContact O-N 3.35Å; M279-W333 HydrophobicContact CE-CD2 3.68Å; M279-W333 HydrophobicContact CE-CE3 4.23Å; M279-W333 HydrophobicContact CE-CG 3.84Å; M279-W333 HydrophobicContact CE-CZ2 4.12Å; M279-A347 HydrophobicContact SD-CB 4.23Å; M279-V349 HydrophobicContact CG-CG2 4.08Å; M279-V349 HydrophobicContact SD-CG2 3.6Å; M279-I408 HydrophobicContact CG-CD1 4.12Å; M279-I408 HydrophobicContact SD-CD1 3.84Å |
| 280 | W | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 170.2 | -96.5 | -121.5 | 0 | 0 | 0 | 111.2 | I235 I236 P258 D259 L261 H276 M277 M282 F283 A284 A285 L287 | I235-W280 HydrophobicContact CB-CH2 4.04Å; I235-W280 HydrophobicContact CD1-CH2 3.98Å; I235-W280 HydrophobicContact CD1-CZ2 4.39Å; I235-W280 HydrophobicContact CG2-CH2 3.63Å; I235-W280 HydrophobicContact CG2-CZ2 4.29Å; I235-W280 HydrophobicContact CG2-CZ3 4.29Å; I236-W280 HydrophobicContact CG1-CZ3 4.43Å; P258-W280 HydrophobicContact CB-CD2 4.41Å; P258-W280 HydrophobicContact CB-CH2 4.04Å; P258-W280 HydrophobicContact CB-CZ2 3.55Å; P258-W280 HydrophobicContact CG-CD2 3.94Å; P258-W280 VanDerWaalsContact CG-CE2 3.43Å; P258-W280 HydrophobicContact CG-CG 4.15Å; P258-W280 HydrophobicContact CG-CZ2 3.79Å; P258-W280 VanDerWaalsContact O-CZ2 3.27Å; P258-W280 WeakPolarHBondContact O-CZ2 3.45Å; D259-W280 PolarHBondContact O-NE1 3.35Å; L261-W280 HydrophobicContact CD2-CB 4.02Å; L261-W280 HydrophobicContact CD2-CD2 4.27Å; L261-W280 HydrophobicContact CD2-CG 3.7Å; H276-W280 AromaticContact CE1-CD2 3.74Å; H276-W280 AromaticContact CE1-CE2 3.55Å; H276-W280 AromaticContact CE1-CE3 3.67Å; H276-W280 AromaticContact CE1-CH2 3.36Å; H276-W280 WeakPolarHBondContact CE1-CH2 3.36Å; H276-W280 AromaticContact CE1-CZ2 3.38Å; H276-W280 WeakPolarHBondContact CE1-CZ2 3.46Å; H276-W280 AromaticContact CE1-CZ3 3.49Å; H276-W280 VanDerWaalsContact CE1-CZ3 3.49Å; H276-W280 WeakPolarHBondContact CE1-CZ3 3.28Å; H276-W280 AromaticContact ND1-CD2 3.89Å; H276-W280 AromaticContact ND1-CE3 3.4Å; H276-W280 AromaticContact ND1-CH2 3.61Å; H276-W280 AromaticContact ND1-CZ3 3.26Å; H276-W280 VanDerWaalsContact ND1-CZ3 3.26Å; H276-W280 WeakPolarHBondContact ND1-CZ3 3.43Å; H276-W280 VanDerWaalsContact O-CE3 3.26Å; H276-W280 PolarHBondContact O-N 2.97Å; H276-W280 VanDerWaalsContact O-N 3.14Å; M277-W280 PolarHBondContact O-N 3.16Å; W280-M282 VanDerWaalsContact C-N 3.3Å; W280-M282 PolarHBondContact O-N 3.45Å; W280-F283 PolarHBondContact O-N 3.02Å; W280-F283 VanDerWaalsContact O-N 3.12Å; W280-A284 PolarHBondContact O-N 3.1Å; W280-A285 HydrophobicContact CB-CB 4.13Å; W280-A285 HydrophobicContact CG-CB 4.01Å; W280-A285 WeakPolarHBondContact O-CB 3.48Å; W280-A285 PolarHBondContact O-N 2.73Å; W280-A285 VanDerWaalsContact O-N 3.13Å; W280-L287 HydrophobicContact CB-CD2 4.01Å |
| 281 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | 173.4 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | M277 G278 M279 F283 A284 L309 I312 D313 R335 | M277-C281 PolarHBondContact O-N 2.89Å; M277-C281 PolarHBondContact O-SG 3.31Å; G278-C281 WeakPolarHBondContact O-CB 3.26Å; G278-C281 PolarHBondContact O-N 2.98Å; M279-C281 VanDerWaalsContact C-N 3.32Å; M279-C281 PolarHBondContact O-N 3.18Å; C281-F283 VanDerWaalsContact C-N 3.33Å; C281-A284 PolarHBondContact O-N 3.28Å; C281-L309 HydrophobicContact CB-CD2 4.41Å; C281-I312 HydrophobicContact CB-CB 4.48Å; C281-I312 HydrophobicContact CB-CG2 4.48Å; C281-D313 HydrophobicContact CB-CB 4.1Å; C281-R335 PolarHBondContact O-NH1 3.46Å |
| 282 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -68.6 | -33.2 | 174.3 | -73.2 | -64.5 | -74.3 | 0 | 0 | 112 | G278 M279 W280 A284 I312 A321 W333 R335 A345 A347 M410 | G278-M282 WeakPolarHBondContact O-CG 3.47Å; G278-M282 PolarHBondContact O-N 2.82Å; M279-M282 HydrophobicContact CE-CB 4.39Å; M279-M282 CarbonylContact O-C 3.41Å; M279-M282 PolarHBondContact O-N 3.27Å; M279-M282 VanDerWaalsContact O-N 3.1Å; M279-M282 HydrophobicContact SD-CG 4.48Å; W280-M282 VanDerWaalsContact C-N 3.3Å; W280-M282 PolarHBondContact O-N 3.45Å; M282-A284 PolarHBondContact O-N 2.78Å; M282-I312 HydrophobicContact SD-CG2 4.37Å; M282-A321 HydrophobicContact CB-CB 3.88Å; M282-A321 HydrophobicContact CE-CB 3.93Å; M282-A321 WeakPolarHBondContact O-CB 3.38Å; M282-A321 PolarHBondContact O-N 3.25Å; M282-W333 HydrophobicContact CE-CB 4.19Å; M282-R335 HydrophobicContact CE-CB 3.74Å; M282-R335 WeakPolarHBondContact O-CD 3.2Å; M282-R335 HydrophobicContact SD-CB 4.09Å; M282-A345 HydrophobicContact CE-CB 4.36Å; M282-A345 HydrophobicContact SD-CB 3.72Å; M282-A347 HydrophobicContact CE-CB 4.1Å; M282-A347 HydrophobicContact CG-CB 4.1Å; M282-A347 HydrophobicContact SD-CB 4.45Å; M282-M410 HydrophobicContact CG-CE 3.61Å; M282-M410 HydrophobicContact CG-SD 4.45Å; M282-M410 HydrophobicContact SD-CE 3.78Å |
| 283 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3 | -179.5 | -60.9 | -31.7 | 0 | 0 | 0 | 114.4 | I236 Y239 M279 W280 C281 A285 Q320 A321 W333 | I236-F283 HydrophobicContact CB-CZ 4.46Å; I236-F283 HydrophobicContact CG1-CE2 4.06Å; I236-F283 HydrophobicContact CG1-CZ 4.29Å; I236-F283 HydrophobicContact CG2-CZ 4.27Å; Y239-F283 HydrophobicContact CD1-CB 4.3Å; Y239-F283 AromaticContact CD1-CD1 3.68Å; Y239-F283 HydrophobicContact CD1-CD1 3.68Å; Y239-F283 AromaticContact CD1-CD2 3.99Å; Y239-F283 HydrophobicContact CD1-CD2 3.99Å; Y239-F283 AromaticContact CD1-CE1 3.92Å; Y239-F283 HydrophobicContact CD1-CE1 3.92Å; Y239-F283 HydrophobicContact CD1-CE2 4.2Å; Y239-F283 AromaticContact CD1-CG 3.72Å; Y239-F283 HydrophobicContact CD1-CG 3.72Å; Y239-F283 HydrophobicContact CD1-CZ 4.17Å; Y239-F283 HydrophobicContact CD2-CD2 4.26Å; Y239-F283 HydrophobicContact CD2-CE2 4.07Å; Y239-F283 HydrophobicContact CD2-CZ 4.44Å; Y239-F283 HydrophobicContact CE1-CB 3.93Å; Y239-F283 HydrophobicContact CE1-CD1 4.2Å; Y239-F283 HydrophobicContact CE1-CD2 4.1Å; Y239-F283 AromaticContact CE1-CG 3.83Å; Y239-F283 HydrophobicContact CE1-CG 3.83Å; Y239-F283 HydrophobicContact CE2-CD2 4.37Å; Y239-F283 HydrophobicContact CG-CD1 4.21Å; Y239-F283 HydrophobicContact CG-CD2 4.08Å; Y239-F283 HydrophobicContact CG-CE1 4.02Å; Y239-F283 AromaticContact CG-CE2 3.87Å; Y239-F283 HydrophobicContact CG-CE2 3.87Å; Y239-F283 HydrophobicContact CG-CG 4.25Å; Y239-F283 AromaticContact CG-CZ 3.84Å; Y239-F283 HydrophobicContact CG-CZ 3.84Å; M279-F283 HydrophobicContact CB-CE2 4.03Å; M279-F283 HydrophobicContact CB-CZ 4.28Å; M279-F283 HydrophobicContact CE-CD1 4.46Å; M279-F283 HydrophobicContact CE-CE1 3.53Å; M279-F283 HydrophobicContact CE-CE2 4.3Å; M279-F283 HydrophobicContact CE-CZ 3.44Å; M279-F283 VanDerWaalsContact CE-CZ 3.44Å; M279-F283 WeakPolarHBondContact O-CB 3.39Å; M279-F283 WeakPolarHBondContact O-CD2 3.46Å; M279-F283 WeakPolarHBondContact O-CG 3.31Å; M279-F283 PolarHBondContact O-N 3.35Å; W280-F283 PolarHBondContact O-N 3.02Å; W280-F283 VanDerWaalsContact O-N 3.12Å; C281-F283 VanDerWaalsContact C-N 3.33Å; F283-A285 HydrophobicContact CB-CB 4.29Å; F283-A285 PolarHBondContact O-N 3.47Å; F283-Q320 VanDerWaalsContact O-CG 3.28Å; F283-Q320 WeakPolarHBondContact O-CG 3.45Å; F283-Q320 PolarHBondContact O-OE1 2.71Å; F283-A321 HydrophobicContact CD1-CB 4.47Å; F283-W333 HydrophobicContact CE1-CE3 4.02Å; F283-W333 AromaticContact CE1-CH2 3.86Å; F283-W333 HydrophobicContact CE1-CH2 3.86Å; F283-W333 HydrophobicContact CE1-CZ2 4.5Å; F283-W333 AromaticContact CE1-CZ3 3.61Å; F283-W333 HydrophobicContact CE1-CZ3 3.61Å; F283-W333 HydrophobicContact CZ-CH2 4.09Å; F283-W333 HydrophobicContact CZ-CZ2 4.48Å; F283-W333 HydrophobicContact CZ-CZ3 4.3Å |
| 284 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 43.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P30 W255 W280 C281 M282 R335 | P30-A284 HydrophobicContact CG-CB 4.14Å; P30-A284 WeakPolarHBondContact CG-O 3.44Å; W255-A284 HydrophobicContact CE3-CB 3.84Å; W255-A284 HydrophobicContact CZ3-CB 3.67Å; W280-A284 PolarHBondContact O-N 3.1Å; C281-A284 PolarHBondContact O-N 3.28Å; M282-A284 PolarHBondContact O-N 2.78Å; A284-R335 VanDerWaalsContact CA-NH1 3.33Å |
| 285 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -83.4 | 153.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P30 P258 W280 F283 L287 D313 | P30-A285 VanDerWaalsContact CB-O 3.22Å; P30-A285 WeakPolarHBondContact CB-O 3.26Å; P258-A285 VanDerWaalsContact CD-CB 3.48Å; P258-A285 HydrophobicContact CG-CB 3.4Å; P258-A285 VanDerWaalsContact CG-CB 3.4Å; W280-A285 HydrophobicContact CB-CB 4.13Å; W280-A285 HydrophobicContact CG-CB 4.01Å; W280-A285 WeakPolarHBondContact O-CB 3.48Å; W280-A285 PolarHBondContact O-N 2.73Å; W280-A285 VanDerWaalsContact O-N 3.13Å; F283-A285 HydrophobicContact CB-CB 4.29Å; F283-A285 PolarHBondContact O-N 3.47Å; A285-L287 PolarHBondContact O-N 2.9Å; A285-D313 VanDerWaalsContact O-OD2 3.09Å | ||
| 286 | P | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | trans | -51.7 | 127.8 | 161.5 | -26.3 | 36.8 | 0 | 0 | 0 | 111.3 | P31 L218 N256 D257 I288 | P31-P286 HydrophobicContact CG-CB 4.03Å; P31-P286 HydrophobicContact CG-CG 4.22Å; P31-P286 CarbonylContact O-C 3.57Å; P31-P286 VanDerWaalsContact O-CA 3.3Å; P31-P286 WeakPolarHBondContact O-CA 3.35Å; L218-P286 HydrophobicContact CD1-CG 4.06Å; L218-P286 HydrophobicContact CD2-CG 3.49Å; L218-P286 VanDerWaalsContact CD2-CG 3.49Å; L218-P286 HydrophobicContact CG-CG 4.37Å; N256-P286 WeakPolarHBondContact O-CD 3.49Å; D257-P286 HydrophobicContact CB-CG 4.27Å; P286-I288 HydrophobicContact CB-CD1 4.4Å; P286-I288 HydrophobicContact CB-CG1 3.8Å; P286-I288 PolarHBondContact O-N 3.23Å | ||
| 287 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 73.4 | 173.6 | -53.6 | -178.6 | 0 | 0 | 0 | 109.1 | P31 M32 G33 Y76 L261 M277 W280 A285 L310 D313 | P31-L287 PolarHBondContact O-N 2.98Å; M32-L287 WeakPolarHBondContact CA-O 3.43Å; M32-L287 HydrophobicContact CB-CB 4.48Å; M32-L287 HydrophobicContact CE-CD1 4.22Å; M32-L287 HydrophobicContact CG-CB 4.08Å; M32-L287 HydrophobicContact CG-CD1 4.4Å; M32-L287 HydrophobicContact CG-CG 4.49Å; G33-L287 PolarHBondContact N-O 3.04Å; Y76-L287 HydrophobicContact CE1-CB 4.08Å; Y76-L287 WeakPolarHBondContact CE1-O 3.49Å; L261-L287 HydrophobicContact CD1-CB 3.85Å; L261-L287 HydrophobicContact CD1-CD2 3.97Å; L261-L287 HydrophobicContact CD1-CG 4.47Å; M277-L287 HydrophobicContact CE-CD1 3.95Å; W280-L287 HydrophobicContact CB-CD2 4.01Å; A285-L287 PolarHBondContact O-N 2.9Å; L287-L310 HydrophobicContact CD1-CD2 3.64Å; L287-D313 HydrophobicContact CD1-CB 3.87Å; L287-D313 VanDerWaalsContact CD1-CG 3.5Å; L287-D313 VanDerWaalsContact CD1-OD1 3.29Å; L287-D313 WeakPolarHBondContact CD1-OD1 2.91Å; L287-D313 HydrophobicContact CG-CB 4.48Å; L287-D313 WeakPolarHBondContact CG-OD1 3.13Å |
| 288 | I | 98.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 104.7 | 179.8 | -52.7 | -56 | 0 | 0 | 0 | 109.3 | G33 N35 I80 M260 L261 P286 | G33-I288 WeakPolarHBondContact O-CA 3.46Å; N35-I288 HydrophobicContact CB-CG2 3.45Å; N35-I288 VanDerWaalsContact CB-CG2 3.45Å; I80-I288 HydrophobicContact CD1-CD1 4.1Å; I80-I288 HydrophobicContact CD1-CG1 4.42Å; I80-I288 HydrophobicContact CD1-CG2 3.99Å; M260-I288 CarbonylContact C-O 3.59Å; M260-I288 WeakPolarHBondContact CA-O 3.38Å; M260-I288 WeakPolarHBondContact CB-O 3.36Å; M260-I288 HydrophobicContact CG-CG2 4.29Å; L261-I288 PolarHBondContact N-O 3.21Å; P286-I288 HydrophobicContact CB-CD1 4.4Å; P286-I288 HydrophobicContact CB-CG1 3.8Å; P286-I288 PolarHBondContact O-N 3.23Å |
| 289 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 141 | 178.9 | -59.1 | 167.8 | 0 | 0 | 0 | 109.8 | G33 W34 N35 Y76 T291 M293 L304 | G33-I289 PolarHBondContact O-N 2.84Å; W34-I289 CarbonylContact C-O 3.52Å; W34-I289 WeakPolarHBondContact CA-O 3.3Å; N35-I289 PolarHBondContact N-O 2.9Å; Y76-I289 HydrophobicContact CD1-CD1 3.57Å; Y76-I289 HydrophobicContact CD1-CG1 4.05Å; Y76-I289 HydrophobicContact CE1-CD1 3.45Å; Y76-I289 VanDerWaalsContact CE1-CD1 3.45Å; Y76-I289 HydrophobicContact CE1-CG1 3.75Å; Y76-I289 HydrophobicContact CE2-CD1 4.4Å; Y76-I289 HydrophobicContact CG-CD1 4.12Å; I289-T291 HydrophobicContact CG2-CG2 3.58Å; I289-M293 HydrophobicContact CG2-SD 3.93Å; I289-L304 HydrophobicContact CD1-CD1 3.97Å; I289-L304 HydrophobicContact CD1-CD2 3.96Å; I289-L304 HydrophobicContact CD1-CG 4.45Å; I289-L304 HydrophobicContact CG1-CD1 4.3Å; I289-L304 HydrophobicContact CG1-CD2 3.81Å |
| 290 | S | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -138.1 | 80.7 | 166.7 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | N35 Q38 Q39 M260 L261 N265 | N35-S290 WeakPolarHBondContact O-CA 3.43Å; N35-S290 VanDerWaalsContact O-CB 3.27Å; N35-S290 WeakPolarHBondContact O-CB 3.27Å; N35-S290 PolarHBondContact O-OG 2.8Å; Q38-S290 VanDerWaalsContact CA-OG 3.29Å; Q38-S290 WeakPolarHBondContact CA-OG 3.26Å; Q38-S290 WeakPolarHBondContact CB-OG 3.43Å; Q38-S290 PolarHBondContact N-OG 3.28Å; Q39-S290 PolarHBondContact N-OG 3.48Å; Q39-S290 VanDerWaalsContact N-OG 3.1Å; M260-S290 VanDerWaalsContact SD-CB 3.53Å; L261-S290 PolarHBondContact O-N 3.31Å; N265-S290 PolarHBondContact ND2-O 3.06Å | ||
| 291 | T | 95.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -148.2 | 160.6 | 178.8 | -165.4 | 0 | 0 | 0 | 0 | 110.5 | W34 Q39 L263 N265 I289 M293 V296 | W34-T291 PolarHBondContact NE1-O 3.27Å; Q39-T291 VanDerWaalsContact CD-C 3.45Å; Q39-T291 PolarHBondContact OE1-O 2.76Å; L263-T291 VanDerWaalsContact O-CB 3.25Å; L263-T291 WeakPolarHBondContact O-CB 3.39Å; L263-T291 VanDerWaalsContact O-CG2 3.28Å; L263-T291 WeakPolarHBondContact O-CG2 3.35Å; N265-T291 PolarHBondContact N-OG1 3.22Å; N265-T291 WeakPolarHBondContact OD1-CA 3.49Å; N265-T291 VanDerWaalsContact OD1-CB 3.29Å; N265-T291 WeakPolarHBondContact OD1-CB 3.45Å; N265-T291 PolarHBondContact OD1-OG1 2.9Å; I289-T291 HydrophobicContact CG2-CG2 3.58Å; T291-M293 HydrophobicContact CG2-SD 3.88Å; T291-M293 PolarHBondContact O-N 2.96Å; T291-V296 HydrophobicContact CG2-CG2 3.56Å |
| 292 | D | 94.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 9% | 0.086 | 15% | 0.152 | C | C | . | . | trans | -66.1 | 103.9 | 173.7 | -171.5 | -2 | 0 | 0 | 0 | 110.5 | Q39 D294 K295 V296 | Q39-D292 VanDerWaalsContact CD-N 3.33Å; Q39-D292 HydrophobicContact CG-CB 4.23Å; Q39-D292 VanDerWaalsContact NE2-CA 3.32Å; D292-D294 PolarHBondContact O-N 3.08Å; D292-D294 VanDerWaalsContact O-N 3.12Å; D292-D294 PolarHBondContact OD1-N 2.8Å; D292-K295 HydrophobicContact CB-CB 4.3Å; D292-K295 CarbonylContact O-C 3.39Å; D292-K295 PolarHBondContact O-N 3.07Å; D292-K295 WeakPolarHBondContact OD2-CD 3.29Å; D292-K295 WeakPolarHBondContact OD2-CE 3.05Å; D292-K295 IonicContact OD2-NZ 3.85Å; D292-K295 PolarHBondContact OD2-NZ 3.23Å; D292-V296 PolarHBondContact O-N 3.29Å | ||
| 293 | M | 95.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.8 | -175.6 | -61.6 | -52.7 | -60.9 | 0 | 0 | 113 | T62 K65 L66 W71 I289 T291 K295 V296 | T62-M293 HydrophobicContact CG2-CB 4.43Å; T62-M293 HydrophobicContact CG2-CG 3.77Å; K65-M293 HydrophobicContact CB-CB 4.02Å; L66-M293 HydrophobicContact CD2-CE 4.08Å; W71-M293 HydrophobicContact CD2-CE 3.83Å; W71-M293 VanDerWaalsContact CE2-CE 3.41Å; W71-M293 HydrophobicContact CG-CE 4Å; W71-M293 HydrophobicContact CZ2-CE 3.88Å; I289-M293 HydrophobicContact CG2-SD 3.93Å; T291-M293 HydrophobicContact CG2-SD 3.88Å; T291-M293 PolarHBondContact O-N 2.96Å; M293-K295 VanDerWaalsContact C-N 3.27Å; M293-V296 HydrophobicContact CE-CG2 4.16Å; M293-V296 HydrophobicContact SD-CG2 4.1Å |
| 294 | D | 93.1 | Very high | 97.2 | Very high | 71 Ų | 71 | 29.8 Ų | 29.8 | 38% | 0.38 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.8 | 172.4 | -68.4 | -51.9 | 0 | 0 | 0 | 112.9 | R61 K65 D292 | R61-D294 WeakPolarHBondContact CD-OD2 3.27Å; R61-D294 IonicContact NE-OD2 2.94Å; R61-D294 PolarHBondContact NE-OD2 2.94Å; K65-D294 WeakPolarHBondContact CD-OD1 3.48Å; K65-D294 WeakPolarHBondContact CE-OD1 3.42Å; K65-D294 WeakPolarHBondContact CG-OD1 3.38Å; D292-D294 PolarHBondContact O-N 3.08Å; D292-D294 VanDerWaalsContact O-N 3.12Å; D292-D294 PolarHBondContact OD1-N 2.8Å |
| 295 | K | 93.2 | Very high | 97.2 | Very high | 133 Ų | 133 | 34 Ų | 34 | 58% | 0.578 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -131.7 | 14.8 | -169.8 | -60.7 | -176.7 | -168.3 | 129.3 | 0 | 114.6 | D292 M293 D297 | D292-K295 HydrophobicContact CB-CB 4.3Å; D292-K295 CarbonylContact O-C 3.39Å; D292-K295 PolarHBondContact O-N 3.07Å; D292-K295 WeakPolarHBondContact OD2-CD 3.29Å; D292-K295 WeakPolarHBondContact OD2-CE 3.05Å; D292-K295 IonicContact OD2-NZ 3.85Å; D292-K295 PolarHBondContact OD2-NZ 3.23Å; M293-K295 VanDerWaalsContact C-N 3.27Å; K295-D297 PolarHBondContact O-N 3.47Å; K295-D297 VanDerWaalsContact O-N 3.14Å |
| 296 | V | 95.9 | Very high | 97.2 | Very high | 28 Ų | 28 | 35 Ų | 35 | 17% | 0.17 | 17% | 0.174 | C | C | . | . | trans | -60.3 | 119.9 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | T291 D292 M293 A301 L304 | T291-V296 HydrophobicContact CG2-CG2 3.56Å; D292-V296 PolarHBondContact O-N 3.29Å; M293-V296 HydrophobicContact CE-CG2 4.16Å; M293-V296 HydrophobicContact SD-CG2 4.1Å; V296-A301 HydrophobicContact CG1-CB 3.9Å; V296-L304 HydrophobicContact CG1-CD1 4.45Å | ||
| 297 | D | 96.5 | Very high | 97.2 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | trans | -65.7 | 152.7 | 176.6 | 74.1 | 86.6 | 0 | 0 | 0 | 111.6 | K273 K295 F299 S300 A301 | K273-D297 IonicContact NZ-OD1 3.61Å; K273-D297 PolarHBondContact NZ-OD1 2.97Å; K273-D297 IonicContact NZ-OD2 3.37Å; K273-D297 PolarHBondContact NZ-OD2 3.15Å; K295-D297 PolarHBondContact O-N 3.47Å; K295-D297 VanDerWaalsContact O-N 3.14Å; D297-F299 PolarHBondContact O-N 3.3Å; D297-F299 WeakPolarHBondContact OD1-CB 3.15Å; D297-F299 PolarHBondContact OD1-N 3.45Å; D297-F299 VanDerWaalsContact OD1-N 3.1Å; D297-S300 VanDerWaalsContact CG-OG 3.27Å; D297-S300 PolarHBondContact O-N 3.11Å; D297-S300 PolarHBondContact OD1-N 2.9Å; D297-S300 PolarHBondContact OD1-OG 3.46Å; D297-S300 VanDerWaalsContact OD2-CB 3.29Å; D297-S300 WeakPolarHBondContact OD2-CB 3.29Å; D297-S300 PolarHBondContact OD2-OG 2.92Å; D297-A301 WeakPolarHBondContact O-CB 3.42Å; D297-A301 PolarHBondContact O-N 3.22Å | ||
| 298 | Q | 97.4 | Very high | 97.2 | Very high | 178 Ų | 178 | 45 Ų | 45 | 83% | 0.832 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.4 | -34.2 | -174.1 | -171.8 | 179.6 | 10.5 | 0 | 0 | 113.1 | S302 | Q298-S302 WeakPolarHBondContact O-CB 3.3Å; Q298-S302 PolarHBondContact O-N 2.96Å |
| 299 | F | 98.1 | Very high | 97.2 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 21% | 0.211 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.6 | -43.7 | -179.6 | -174.9 | -91.1 | 0 | 0 | 0 | 111.4 | N270 K273 R274 D297 A301 S302 L303 | N270-F299 HydrophobicContact CB-CD1 3.86Å; N270-F299 HydrophobicContact CB-CD2 4.4Å; N270-F299 HydrophobicContact CB-CE1 3.47Å; N270-F299 VanDerWaalsContact CB-CE1 3.47Å; N270-F299 HydrophobicContact CB-CE2 4.05Å; N270-F299 HydrophobicContact CB-CG 4.3Å; N270-F299 HydrophobicContact CB-CZ 3.56Å; N270-F299 VanDerWaalsContact CG-CD1 3.47Å; N270-F299 WeakPolarHBondContact O-CE1 3.45Å; N270-F299 WeakPolarHBondContact O-CZ 3.43Å; N270-F299 VanDerWaalsContact OD1-CD1 3.25Å; N270-F299 WeakPolarHBondContact OD1-CD1 3.28Å; K273-F299 HydrophobicContact CB-CD1 4.36Å; K273-F299 HydrophobicContact CB-CE1 4.01Å; K273-F299 HydrophobicContact CD-CD1 3.93Å; K273-F299 HydrophobicContact CD-CE1 4.36Å; R274-F299 HydrophobicContact CG-CE1 4.3Å; R274-F299 HydrophobicContact CG-CZ 3.87Å; D297-F299 PolarHBondContact O-N 3.3Å; D297-F299 WeakPolarHBondContact OD1-CB 3.15Å; D297-F299 PolarHBondContact OD1-N 3.45Å; D297-F299 VanDerWaalsContact OD1-N 3.1Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 2.6Å; F299-S302 PolarHBondContact O-N 3.47Å; F299-S302 PolarHBondContact O-OG 2.94Å; F299-L303 HydrophobicContact CD1-CD1 4.11Å; F299-L303 HydrophobicContact CE1-CD1 3.63Å; F299-L303 HydrophobicContact CE1-CG 4.24Å; F299-L303 HydrophobicContact CZ-CD1 4.33Å; F299-L303 WeakPolarHBondContact O-CG 3.18Å; F299-L303 PolarHBondContact O-N 3.25Å |
| 300 | S | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 171.5 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | G264 K273 D297 S302 L303 L304 | G264-S300 PolarHBondContact N-OG 3.13Å; K273-S300 PolarHBondContact NZ-OG 3Å; D297-S300 VanDerWaalsContact CG-OG 3.27Å; D297-S300 PolarHBondContact O-N 3.11Å; D297-S300 PolarHBondContact OD1-N 2.9Å; D297-S300 PolarHBondContact OD1-OG 3.46Å; D297-S300 VanDerWaalsContact OD2-CB 3.29Å; D297-S300 WeakPolarHBondContact OD2-CB 3.29Å; D297-S300 PolarHBondContact OD2-OG 2.92Å; S300-S302 VanDerWaalsContact C-N 3.35Å; S300-S302 PolarHBondContact O-N 3.44Å; S300-L303 PolarHBondContact O-N 3.24Å; S300-L304 WeakPolarHBondContact O-CG 3.47Å; S300-L304 PolarHBondContact O-N 3.49Å |
| 301 | A | 98.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W71 V296 D297 F299 L303 L304 R305 | W71-A301 HydrophobicContact CH2-CB 3.94Å; W71-A301 HydrophobicContact CZ2-CB 4.37Å; V296-A301 HydrophobicContact CG1-CB 3.9Å; D297-A301 WeakPolarHBondContact O-CB 3.42Å; D297-A301 PolarHBondContact O-N 3.22Å; F299-A301 VanDerWaalsContact C-N 3.3Å; F299-A301 PolarHBondContact O-N 2.6Å; A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 3.45Å; A301-L304 PolarHBondContact O-N 3.3Å; A301-R305 WeakPolarHBondContact O-CB 3.16Å; A301-R305 WeakPolarHBondContact O-CG 3.23Å; A301-R305 PolarHBondContact O-N 3.19Å |
| 302 | S | 98.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 43% | 0.427 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 178.2 | 74.8 | 0 | 0 | 0 | 0 | 112 | Q298 F299 S300 N306 | Q298-S302 WeakPolarHBondContact O-CB 3.3Å; Q298-S302 PolarHBondContact O-N 2.96Å; F299-S302 PolarHBondContact O-N 3.47Å; F299-S302 PolarHBondContact O-OG 2.94Å; S300-S302 VanDerWaalsContact C-N 3.35Å; S300-S302 PolarHBondContact O-N 3.44Å; S302-N306 WeakPolarHBondContact O-CB 3.39Å; S302-N306 PolarHBondContact O-N 3.43Å; S302-N306 VanDerWaalsContact O-N 3.17Å |
| 303 | L | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.6 | -49.7 | 175 | -65.8 | 177.4 | 0 | 0 | 0 | 112.2 | L263 K273 R274 M277 F299 S300 A301 R305 N306 L309 F385 | L263-L303 HydrophobicContact CD2-CD1 4.29Å; K273-L303 HydrophobicContact CB-CD1 3.86Å; R274-L303 HydrophobicContact CG-CD1 4.19Å; R274-L303 HydrophobicContact CG-CD2 3.9Å; M277-L303 HydrophobicContact CB-CB 4.33Å; M277-L303 HydrophobicContact CG-CB 4.23Å; F299-L303 HydrophobicContact CD1-CD1 4.11Å; F299-L303 HydrophobicContact CE1-CD1 3.63Å; F299-L303 HydrophobicContact CE1-CG 4.24Å; F299-L303 HydrophobicContact CZ-CD1 4.33Å; F299-L303 WeakPolarHBondContact O-CG 3.18Å; F299-L303 PolarHBondContact O-N 3.25Å; S300-L303 PolarHBondContact O-N 3.24Å; A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 3.45Å; L303-R305 PolarHBondContact O-N 3.38Å; L303-N306 WeakPolarHBondContact O-CB 3.19Å; L303-N306 PolarHBondContact O-N 3.3Å; L303-N306 VanDerWaalsContact O-N 3.12Å; L303-L309 HydrophobicContact CD2-CD1 4.2Å; L303-F385 HydrophobicContact CD2-CD1 3.92Å; L303-F385 HydrophobicContact CD2-CE1 4.23Å |
| 304 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -27.8 | 179.9 | -70.2 | 168.2 | 0 | 0 | 0 | 112.7 | W71 Y76 L261 L263 M277 I289 V296 S300 A301 | W71-L304 HydrophobicContact CH2-CB 4.1Å; W71-L304 HydrophobicContact CH2-CD1 4.24Å; W71-L304 HydrophobicContact CZ3-CB 3.61Å; W71-L304 HydrophobicContact CZ3-CD1 4.3Å; Y76-L304 WeakPolarHBondContact CE2-O 3.43Å; Y76-L304 PolarHBondContact OH-O 2.88Å; L261-L304 HydrophobicContact CD1-CD2 3.76Å; L263-L304 HydrophobicContact CB-CD1 4.13Å; L263-L304 HydrophobicContact CB-CD2 4.42Å; L263-L304 HydrophobicContact CB-CG 4.28Å; L263-L304 HydrophobicContact CD1-CD2 3.59Å; L263-L304 HydrophobicContact CD1-CG 3.9Å; M277-L304 HydrophobicContact SD-CD2 4.13Å; I289-L304 HydrophobicContact CD1-CD1 3.97Å; I289-L304 HydrophobicContact CD1-CD2 3.96Å; I289-L304 HydrophobicContact CD1-CG 4.45Å; I289-L304 HydrophobicContact CG1-CD1 4.3Å; I289-L304 HydrophobicContact CG1-CD2 3.81Å; V296-L304 HydrophobicContact CG1-CD1 4.45Å; S300-L304 WeakPolarHBondContact O-CG 3.47Å; S300-L304 PolarHBondContact O-N 3.49Å; A301-L304 PolarHBondContact O-N 3.3Å |
| 305 | R | 98.6 | Very high | 97.9 | Very high | 87 Ų | 87 | 46.1 Ų | 46.1 | 33% | 0.328 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.7 | 178.4 | -61.6 | 177.2 | 177.8 | -99.4 | 2.5 | 113.8 | D69 W71 L74 A301 L303 K307 | D69-R305 PolarHBondContact O-NH1 3.03Å; D69-R305 PolarHBondContact O-NH2 2.69Å; W71-R305 HydrophobicContact CE3-CG 4.14Å; W71-R305 HydrophobicContact CH2-CG 3.87Å; W71-R305 VanDerWaalsContact CH2-NE 3.34Å; W71-R305 HydrophobicContact CZ3-CG 3.45Å; W71-R305 VanDerWaalsContact CZ3-CG 3.45Å; L74-R305 HydrophobicContact CD1-CB 3.92Å; L74-R305 HydrophobicContact CD1-CG 3.56Å; A301-R305 WeakPolarHBondContact O-CB 3.16Å; A301-R305 WeakPolarHBondContact O-CG 3.23Å; A301-R305 PolarHBondContact O-N 3.19Å; L303-R305 PolarHBondContact O-N 3.38Å; R305-K307 PolarHBondContact O-N 3.48Å |
| 306 | N | 98.7 | Very high | 98.1 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | trans | -68.2 | 108.4 | -170.6 | -175.5 | -36.2 | 0 | 0 | 0 | 110.3 | S302 L303 H308 L309 L310 V384 F385 | S302-N306 WeakPolarHBondContact O-CB 3.39Å; S302-N306 PolarHBondContact O-N 3.43Å; S302-N306 VanDerWaalsContact O-N 3.17Å; L303-N306 WeakPolarHBondContact O-CB 3.19Å; L303-N306 PolarHBondContact O-N 3.3Å; L303-N306 VanDerWaalsContact O-N 3.12Å; N306-H308 PolarHBondContact O-N 3.23Å; N306-H308 VanDerWaalsContact O-N 3.1Å; N306-H308 WeakPolarHBondContact OD1-CA 3.35Å; N306-H308 VanDerWaalsContact OD1-CB 3.32Å; N306-H308 WeakPolarHBondContact OD1-CB 3.03Å; N306-H308 PolarHBondContact OD1-N 3.03Å; N306-L309 HydrophobicContact CB-CB 4.09Å; N306-L309 HydrophobicContact CB-CD1 3.81Å; N306-L309 HydrophobicContact CB-CG 4.19Å; N306-L309 PolarHBondContact O-N 2.85Å; N306-L309 VanDerWaalsContact O-N 3.12Å; N306-L309 PolarHBondContact OD1-N 3.12Å; N306-L310 WeakPolarHBondContact O-CG 3.44Å; N306-L310 PolarHBondContact O-N 3.27Å; N306-V384 PolarHBondContact ND2-O 2.74Å; N306-F385 PolarHBondContact ND2-O 2.86Å | ||
| 307 | K | 98.1 | Very high | 98.1 | Very high | 151 Ų | 151 | 48.2 Ų | 48.2 | 66% | 0.657 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -54.9 | -30 | -179.3 | 68.3 | -177.8 | -177.2 | -179.7 | 0 | 114 | R305 A311 | R305-K307 PolarHBondContact O-N 3.48Å; K307-A311 WeakPolarHBondContact O-CB 3.32Å; K307-A311 PolarHBondContact O-N 3.05Å |
| 308 | H | 98.1 | Very high | 98.1 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -75.9 | -44.9 | 179.7 | -59 | -78.8 | 0 | 0 | 0 | 110.7 | N306 A311 I312 V384 G387 | N306-H308 PolarHBondContact O-N 3.23Å; N306-H308 VanDerWaalsContact O-N 3.1Å; N306-H308 WeakPolarHBondContact OD1-CA 3.35Å; N306-H308 VanDerWaalsContact OD1-CB 3.32Å; N306-H308 WeakPolarHBondContact OD1-CB 3.03Å; N306-H308 PolarHBondContact OD1-N 3.03Å; H308-A311 PolarHBondContact O-N 2.71Å; H308-I312 WeakPolarHBondContact O-CG1 3.37Å; H308-I312 PolarHBondContact O-N 3.26Å; H308-I312 VanDerWaalsContact O-N 3.11Å; H308-V384 HydrophobicContact CB-CG1 4.08Å; H308-V384 VanDerWaalsContact CB-O 3.25Å; H308-V384 WeakPolarHBondContact CB-O 3.41Å; H308-G387 WeakPolarHBondContact NE2-CA 2.93Å |
| 309 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 172.5 | -76.4 | 168.2 | 0 | 0 | 0 | 111.2 | M277 C281 L303 N306 A311 I312 D313 V384 F385 M410 | M277-L309 HydrophobicContact CE-CB 4.44Å; M277-L309 HydrophobicContact CG-CD1 3.77Å; C281-L309 HydrophobicContact CB-CD2 4.41Å; L303-L309 HydrophobicContact CD2-CD1 4.2Å; N306-L309 HydrophobicContact CB-CB 4.09Å; N306-L309 HydrophobicContact CB-CD1 3.81Å; N306-L309 HydrophobicContact CB-CG 4.19Å; N306-L309 PolarHBondContact O-N 2.85Å; N306-L309 VanDerWaalsContact O-N 3.12Å; N306-L309 PolarHBondContact OD1-N 3.12Å; L309-A311 VanDerWaalsContact C-N 3.28Å; L309-A311 PolarHBondContact O-N 2.96Å; L309-I312 WeakPolarHBondContact O-CB 3.44Å; L309-I312 PolarHBondContact O-N 2.7Å; L309-I312 VanDerWaalsContact O-N 3.07Å; L309-D313 PolarHBondContact O-N 3.14Å; L309-V384 HydrophobicContact CD2-CG1 3.68Å; L309-V384 HydrophobicContact CG-CG1 3.9Å; L309-F385 HydrophobicContact CD1-CD1 3.99Å; L309-F385 HydrophobicContact CD1-CE1 4Å; L309-F385 HydrophobicContact CD2-CE1 4.12Å; L309-M410 HydrophobicContact CD2-CE 4.14Å; L309-M410 HydrophobicContact CD2-SD 4.07Å |
| 310 | L | 98.6 | Very high | 98.1 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 177.8 | -64.7 | -177.2 | 0 | 0 | 0 | 112.3 | M32 L74 M277 L287 N306 I312 D313 Q314 | M32-L310 HydrophobicContact CE-CD1 4.27Å; M32-L310 HydrophobicContact CE-CD2 3.5Å; M32-L310 VanDerWaalsContact CE-CD2 3.5Å; M32-L310 HydrophobicContact CE-CG 4.47Å; M32-L310 HydrophobicContact SD-CD2 4.48Å; L74-L310 HydrophobicContact CB-CD1 4.34Å; L74-L310 HydrophobicContact CD2-CD1 4.39Å; M277-L310 HydrophobicContact CE-CD2 4Å; L287-L310 HydrophobicContact CD1-CD2 3.64Å; N306-L310 WeakPolarHBondContact O-CG 3.44Å; N306-L310 PolarHBondContact O-N 3.27Å; L310-I312 VanDerWaalsContact C-N 3.35Å; L310-D313 PolarHBondContact O-N 3.47Å; L310-Q314 VanDerWaalsContact O-CB 3.26Å; L310-Q314 WeakPolarHBondContact O-CB 3.14Å; L310-Q314 WeakPolarHBondContact O-CG 3.21Å; L310-Q314 PolarHBondContact O-N 2.87Å |
| 311 | A | 97.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 37.3 Ų | 37.3 | 49% | 0.488 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.3 | -31.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | K307 H308 L309 D315 | K307-A311 WeakPolarHBondContact O-CB 3.32Å; K307-A311 PolarHBondContact O-N 3.05Å; H308-A311 PolarHBondContact O-N 2.71Å; L309-A311 VanDerWaalsContact C-N 3.28Å; L309-A311 PolarHBondContact O-N 2.96Å; A311-D315 PolarHBondContact O-N 2.88Å |
| 312 | I | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.6 | -49.4 | 171 | -57.1 | -43.7 | 0 | 0 | 0 | 109.7 | C281 M282 H308 L309 L310 R335 L337 A345 V384 | C281-I312 HydrophobicContact CB-CB 4.48Å; C281-I312 HydrophobicContact CB-CG2 4.48Å; M282-I312 HydrophobicContact SD-CG2 4.37Å; H308-I312 WeakPolarHBondContact O-CG1 3.37Å; H308-I312 PolarHBondContact O-N 3.26Å; H308-I312 VanDerWaalsContact O-N 3.11Å; L309-I312 WeakPolarHBondContact O-CB 3.44Å; L309-I312 PolarHBondContact O-N 2.7Å; L309-I312 VanDerWaalsContact O-N 3.07Å; L310-I312 VanDerWaalsContact C-N 3.35Å; I312-R335 PolarHBondContact O-NH1 3.49Å; I312-R335 PolarHBondContact O-NH2 2.82Å; I312-L337 HydrophobicContact CD1-CD1 3.6Å; I312-L337 HydrophobicContact CG2-CD2 4.29Å; I312-A345 HydrophobicContact CD1-CB 4.13Å; I312-A345 HydrophobicContact CG1-CB 4.49Å; I312-A345 HydrophobicContact CG2-CB 4.11Å; I312-V384 HydrophobicContact CG1-CG1 3.98Å; I312-V384 HydrophobicContact CG1-CG2 4.46Å |
| 313 | D | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -52 | -176.6 | -176.4 | -107.8 | 0 | 0 | 0 | 112.2 | C281 A285 L287 L309 L310 D315 R335 | C281-D313 HydrophobicContact CB-CB 4.1Å; A285-D313 VanDerWaalsContact O-OD2 3.09Å; L287-D313 HydrophobicContact CD1-CB 3.87Å; L287-D313 VanDerWaalsContact CD1-CG 3.5Å; L287-D313 VanDerWaalsContact CD1-OD1 3.29Å; L287-D313 WeakPolarHBondContact CD1-OD1 2.91Å; L287-D313 HydrophobicContact CG-CB 4.48Å; L287-D313 WeakPolarHBondContact CG-OD1 3.13Å; L309-D313 PolarHBondContact O-N 3.14Å; L310-D313 PolarHBondContact O-N 3.47Å; D313-D315 PolarHBondContact O-N 3.01Å; D313-R335 PolarHBondContact O-NH2 2.86Å |
| 314 | Q | 98.3 | Very high | 98.1 | Very high | 47 Ų | 47 | 36.5 Ų | 36.5 | 22% | 0.22 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 13.9 | -174.3 | -61.9 | -65.8 | -67.3 | 0 | 0 | 114.1 | T29 P30 M32 L310 R316 | T29-Q314 VanDerWaalsContact CB-OE1 3.29Å; T29-Q314 WeakPolarHBondContact CG2-O 3.47Å; T29-Q314 PolarHBondContact OG1-OE1 3.11Å; P30-Q314 PolarHBondContact O-NE2 3.11Å; M32-Q314 HydrophobicContact SD-CG 3.86Å; L310-Q314 VanDerWaalsContact O-CB 3.26Å; L310-Q314 WeakPolarHBondContact O-CB 3.14Å; L310-Q314 WeakPolarHBondContact O-CG 3.21Å; L310-Q314 PolarHBondContact O-N 2.87Å; Q314-R316 PolarHBondContact O-N 2.86Å |
| 315 | D | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | trans | -55.9 | 125 | 175.3 | 177.5 | -92.5 | 0 | 0 | 0 | 111.3 | A311 D313 G317 G318 L337 N338 D339 | A311-D315 PolarHBondContact O-N 2.88Å; D313-D315 PolarHBondContact O-N 3.01Å; D315-G317 PolarHBondContact O-N 3.12Å; D315-G317 VanDerWaalsContact O-N 3.15Å; D315-G317 VanDerWaalsContact OD1-CA 3.24Å; D315-G317 WeakPolarHBondContact OD1-CA 3.35Å; D315-G317 PolarHBondContact OD1-N 2.8Å; D315-G318 PolarHBondContact O-N 3.1Å; D315-L337 HydrophobicContact CB-CD2 3.62Å; D315-L337 WeakPolarHBondContact OD2-CA 3.48Å; D315-N338 PolarHBondContact OD1-N 3.42Å; D315-N338 PolarHBondContact OD2-N 3.16Å; D315-D339 WeakPolarHBondContact CA-OD2 3.45Å; D315-D339 WeakPolarHBondContact OD2-CB 3.44Å; D315-D339 PolarHBondContact OD2-N 3.13Å | ||
| 316 | R | 96.8 | Very high | 98 | Very high | 192 Ų | 192 | 38.6 Ų | 38.6 | 73% | 0.725 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.1 | -176.1 | -66.6 | 177.6 | 179.2 | -173.4 | -0.1 | 114.5 | Q314 G318 D339 | Q314-R316 PolarHBondContact O-N 2.86Å; R316-G318 PolarHBondContact O-N 2.91Å; R316-D339 WeakPolarHBondContact CB-OD1 3.32Å; R316-D339 WeakPolarHBondContact CD-OD1 3.41Å; R316-D339 WeakPolarHBondContact CG-OD2 3.44Å; R316-D339 PolarHBondContact N-OD2 2.86Å |
| 317 | G | 96 | Very high | 97.9 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | D315 H319 | D315-G317 PolarHBondContact O-N 3.12Å; D315-G317 VanDerWaalsContact O-N 3.15Å; D315-G317 VanDerWaalsContact OD1-CA 3.24Å; D315-G317 WeakPolarHBondContact OD1-CA 3.35Å; D315-G317 PolarHBondContact OD1-N 2.8Å; G317-H319 PolarHBondContact O-N 2.91Å |
| 318 | G | 97.1 | Very high | 97.8 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | 65.4 | 20.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | W255 D315 R316 Q320 | W255-G318 VanDerWaalsContact CH2-CA 3.41Å; W255-G318 WeakPolarHBondContact CZ3-O 3.45Å; D315-G318 PolarHBondContact O-N 3.1Å; R316-G318 PolarHBondContact O-N 2.91Å; G318-Q320 PolarHBondContact O-N 2.79Å | ||
| 319 | H | 97.7 | Very high | 97.7 | Very high | 44 Ų | 44 | 40.6 Ų | 40.6 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 122.7 | 177.6 | -59.3 | -62.8 | 0 | 0 | 0 | 109.9 | G317 R335 Q336 N338 Y372 | G317-H319 PolarHBondContact O-N 2.91Å; H319-R335 WeakPolarHBondContact O-CD 3.34Å; H319-R335 VanDerWaalsContact O-CG 3.31Å; H319-R335 WeakPolarHBondContact O-CG 3.4Å; H319-R335 VanDerWaalsContact O-CZ 3.3Å; H319-R335 PolarHBondContact O-NE 2.86Å; H319-Q336 HydrophobicContact CB-CB 4.27Å; H319-Q336 WeakPolarHBondContact CB-O 3.29Å; H319-N338 PolarHBondContact NE2-ND2 3.33Å; H319-N338 PolarHBondContact NE2-OD1 3Å; H319-Y372 HydrophobicContact CB-CE1 4.36Å; H319-Y372 WeakPolarHBondContact CB-OH 3.35Å |
| 320 | Q | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 146.7 | 170.8 | 170.6 | 172.4 | -50.8 | 0 | 0 | 110.6 | L246 A250 N256 F283 G318 Y372 | L246-Q320 VanDerWaalsContact CB-NE2 3.29Å; A250-Q320 HydrophobicContact CB-CB 3.69Å; A250-Q320 HydrophobicContact CB-CG 4.46Å; N256-Q320 PolarHBondContact ND2-OE1 3.28Å; F283-Q320 VanDerWaalsContact O-CG 3.28Å; F283-Q320 WeakPolarHBondContact O-CG 3.45Å; F283-Q320 PolarHBondContact O-OE1 2.71Å; G318-Q320 PolarHBondContact O-N 2.79Å; Q320-Y372 WeakPolarHBondContact O-CE2 3.08Å; Q320-Y372 PolarHBondContact O-OH 2.84Å |
| 321 | A | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 148.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M282 F283 W333 I334 R335 | M282-A321 HydrophobicContact CB-CB 3.88Å; M282-A321 HydrophobicContact CE-CB 3.93Å; M282-A321 WeakPolarHBondContact O-CB 3.38Å; M282-A321 PolarHBondContact O-N 3.25Å; F283-A321 HydrophobicContact CD1-CB 4.47Å; A321-W333 HydrophobicContact CB-CE3 4.49Å; A321-I334 CarbonylContact C-O 3.54Å; A321-I334 WeakPolarHBondContact CA-O 3.27Å; A321-I334 WeakPolarHBondContact CB-O 3.49Å; A321-R335 HydrophobicContact CB-CB 4.01Å |
| 322 | E | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 141 | 169.5 | -73.1 | -169 | -175.8 | 0 | 0 | 111.8 | N243 P247 W333 I334 S369 Q370 M371 Y372 | N243-E322 VanDerWaalsContact OD1-CA 3.23Å; N243-E322 WeakPolarHBondContact OD1-CA 3.39Å; P247-E322 HydrophobicContact CB-CG 3.78Å; P247-E322 HydrophobicContact CG-CG 3.78Å; E322-W333 VanDerWaalsContact C-CE3 3.46Å; E322-W333 WeakPolarHBondContact O-CA 3.45Å; E322-I334 PolarHBondContact N-O 2.82Å; E322-I334 PolarHBondContact O-N 3.06Å; E322-S369 WeakPolarHBondContact OE2-CB 3.48Å; E322-S369 PolarHBondContact OE2-OG 2.96Å; E322-Q370 PolarHBondContact OE2-N 3.25Å; E322-M371 WeakPolarHBondContact OE1-CB 3.48Å; E322-M371 WeakPolarHBondContact OE1-CG 3.48Å; E322-M371 PolarHBondContact OE2-N 2.77Å; E322-M371 VanDerWaalsContact OE2-N 3.15Å; E322-Y372 HydrophobicContact CB-CD2 4.27Å; E322-Y372 HydrophobicContact CB-CE2 4.31Å; E322-Y372 HydrophobicContact CG-CD2 4.11Å; E322-Y372 HydrophobicContact CG-CE2 3.8Å |
| 323 | F | 98.5 | Very high | 97.8 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 16% | 0.158 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 134.2 | 167 | 176.6 | -105.8 | 0 | 0 | 0 | 109.9 | K240 N243 K325 S326 Q331 W333 | K240-F323 HydrophobicContact CB-CD2 4.22Å; K240-F323 HydrophobicContact CB-CG 4.27Å; K240-F323 HydrophobicContact CD-CD2 4Å; K240-F323 HydrophobicContact CD-CE1 4.28Å; K240-F323 HydrophobicContact CD-CE2 3.62Å; K240-F323 HydrophobicContact CD-CG 4.48Å; K240-F323 HydrophobicContact CD-CZ 3.76Å; K240-F323 HydrophobicContact CG-CD1 3.93Å; K240-F323 HydrophobicContact CG-CD2 3.8Å; K240-F323 HydrophobicContact CG-CE1 3.99Å; K240-F323 HydrophobicContact CG-CE2 3.88Å; K240-F323 HydrophobicContact CG-CG 3.82Å; K240-F323 HydrophobicContact CG-CZ 3.95Å; N243-F323 HydrophobicContact CB-CB 4.14Å; N243-F323 PolarHBondContact ND2-O 2.68Å; N243-F323 PolarHBondContact OD1-N 2.81Å; F323-K325 WeakPolarHBondContact CE2-O 3.25Å; F323-K325 VanDerWaalsContact CZ-CA 3.44Å; F323-S326 WeakPolarHBondContact CZ-OG 3.28Å; F323-Q331 HydrophobicContact CE2-CB 4.1Å; F323-Q331 HydrophobicContact CE2-CG 4.3Å; F323-W333 VanDerWaalsContact CA-CE3 3.42Å; F323-W333 HydrophobicContact CB-CD2 4.22Å; F323-W333 HydrophobicContact CB-CE3 3.78Å; F323-W333 HydrophobicContact CB-CH2 3.8Å; F323-W333 HydrophobicContact CB-CZ2 4.22Å; F323-W333 HydrophobicContact CB-CZ3 3.54Å; F323-W333 HydrophobicContact CD2-CD2 4.22Å; F323-W333 AromaticContact CD2-CE2 3.79Å; F323-W333 HydrophobicContact CD2-CH2 4.27Å; F323-W333 AromaticContact CD2-CZ2 3.83Å; F323-W333 HydrophobicContact CD2-CZ2 3.83Å; F323-W333 HydrophobicContact CG-CH2 4.44Å; F323-W333 HydrophobicContact CG-CZ2 4.45Å |
| 324 | I | 98 | Very high | 97.8 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -68 | 176.7 | -53.3 | -50.9 | 0 | 0 | 0 | 110.4 | M332 I334 E366 | I324-M332 HydrophobicContact CB-CB 4.1Å; I324-M332 WeakPolarHBondContact CB-O 3.29Å; I324-M332 HydrophobicContact CG1-CB 4.46Å; I324-M332 PolarHBondContact N-O 2.79Å; I324-I334 HydrophobicContact CD1-CB 4.21Å; I324-I334 HydrophobicContact CD1-CG2 3.43Å; I324-I334 VanDerWaalsContact CD1-CG2 3.43Å; I324-I334 HydrophobicContact CG1-CG2 4.27Å; I324-E366 VanDerWaalsContact CG2-O 3.29Å; I324-E366 WeakPolarHBondContact CG2-O 3.05Å |
| 325 | K | 97.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 34.9 Ų | 34.9 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 167 | -174.5 | 63.7 | -162.6 | 174.7 | -173.5 | 0 | 110.4 | F323 M332 E366 | F323-K325 WeakPolarHBondContact CE2-O 3.25Å; F323-K325 VanDerWaalsContact CZ-CA 3.44Å; K325-M332 HydrophobicContact CG-SD 3.99Å; K325-M332 PolarHBondContact O-N 2.71Å; K325-E366 VanDerWaalsContact CE-OE2 3.29Å; K325-E366 WeakPolarHBondContact CE-OE2 3.24Å; K325-E366 IonicContact NZ-OE2 2.98Å; K325-E366 PolarHBondContact NZ-OE2 3.16Å |
| 326 | S | 97.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 41% | 0.406 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.2 | 167.8 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | K240 F323 V330 | K240-S326 PolarHBondContact NZ-OG 2.57Å; F323-S326 WeakPolarHBondContact CZ-OG 3.28Å; S326-V330 CarbonylContact C-O 3.51Å; S326-V330 VanDerWaalsContact CA-O 3.25Å; S326-V330 WeakPolarHBondContact CA-O 3.32Å |
| 327 | R | 96.7 | Very high | 97.7 | Very high | 73 Ų | 73 | 28.6 Ų | 28.6 | 28% | 0.275 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 129.3 | 173.9 | -176.3 | -179.5 | 66.7 | -163.6 | -5 | 109.3 | D329 V330 F360 T361 E366 | R327-D329 VanDerWaalsContact C-N 3.27Å; R327-D329 PolarHBondContact O-N 2.8Å; R327-V330 PolarHBondContact N-O 2.71Å; R327-V330 WeakPolarHBondContact O-CB 3.41Å; R327-V330 PolarHBondContact O-N 3.37Å; R327-F360 HydrophobicContact CB-CE2 4.29Å; R327-T361 PolarHBondContact NH2-O 3.23Å; R327-E366 IonicContact CZ-OE1 3.69Å; R327-E366 IonicContact CZ-OE2 3.3Å; R327-E366 VanDerWaalsContact NH1-CD 3.29Å; R327-E366 IonicContact NH1-OE1 2.71Å; R327-E366 PolarHBondContact NH1-OE1 3.42Å; R327-E366 IonicContact NH1-OE2 3.69Å; R327-E366 PolarHBondContact NH1-OE2 2.85Å; R327-E366 IonicContact NH2-OE1 3.35Å; R327-E366 PolarHBondContact NH2-OE1 2.9Å |
| 328 | N | 95.1 | Very high | 97.7 | Very high | 124 Ų | 124 | 31.3 Ų | 31.3 | 66% | 0.663 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 46.5 | -179.2 | -54.6 | -18.5 | 0 | 0 | 0 | 112.3 | V330 | N328-V330 PolarHBondContact O-N 3.24Š|
| 329 | D | 97.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 16.8 | -175.5 | -52.5 | -50.4 | 0 | 0 | 0 | 115.1 | R327 Y350 T351 R352 | R327-D329 VanDerWaalsContact C-N 3.27Å; R327-D329 PolarHBondContact O-N 2.8Å; D329-Y350 HydrophobicContact CB-CD2 4.11Å; D329-Y350 HydrophobicContact CB-CE2 3.9Å; D329-T351 PolarHBondContact O-N 3.01Å; D329-T351 PolarHBondContact O-OG1 2.85Å; D329-R352 HydrophobicContact CB-CG 3.69Å; D329-R352 VanDerWaalsContact OD2-CD 3.32Å; D329-R352 WeakPolarHBondContact OD2-CD 3.22Å; D329-R352 IonicContact OD2-NH1 3.16Å |
| 330 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.3 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | S326 R327 N328 C348 V349 Y350 I358 F360 I403 | S326-V330 CarbonylContact C-O 3.51Å; S326-V330 VanDerWaalsContact CA-O 3.25Å; S326-V330 WeakPolarHBondContact CA-O 3.32Å; R327-V330 PolarHBondContact N-O 2.71Å; R327-V330 WeakPolarHBondContact O-CB 3.41Å; R327-V330 PolarHBondContact O-N 3.37Å; N328-V330 PolarHBondContact O-N 3.24Å; V330-C348 HydrophobicContact CG1-CB 3.75Å; V330-V349 CarbonylContact C-O 3.25Å; V330-V349 VanDerWaalsContact CA-O 3.27Å; V330-V349 WeakPolarHBondContact CA-O 3.4Å; V330-Y350 HydrophobicContact CG2-CD2 4.09Å; V330-I358 HydrophobicContact CG2-CD1 3.49Å; V330-I358 VanDerWaalsContact CG2-CD1 3.49Å; V330-F360 HydrophobicContact CB-CD2 3.9Å; V330-F360 HydrophobicContact CB-CE2 3.75Å; V330-F360 HydrophobicContact CB-CG 4.38Å; V330-F360 HydrophobicContact CB-CZ 4.11Å; V330-F360 HydrophobicContact CG1-CD1 4.22Å; V330-F360 HydrophobicContact CG1-CD2 4.26Å; V330-F360 HydrophobicContact CG1-CE1 4.09Å; V330-F360 HydrophobicContact CG1-CE2 4.13Å; V330-F360 HydrophobicContact CG1-CG 4.29Å; V330-F360 HydrophobicContact CG1-CZ 4.03Å; V330-F360 HydrophobicContact CG2-CB 4.4Å; V330-F360 HydrophobicContact CG2-CD2 3.64Å; V330-F360 HydrophobicContact CG2-CE2 4.02Å; V330-F360 HydrophobicContact CG2-CG 4.04Å; V330-I403 HydrophobicContact CG1-CD1 4.23Å; V330-I403 HydrophobicContact CG2-CD1 4.43Å |
| 331 | Q | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 129.4 | 167.5 | -57.7 | -170.7 | 11.2 | 0 | 0 | 110 | D237 F323 C348 V349 T351 | D237-Q331 PolarHBondContact OD1-NE2 2.82Å; F323-Q331 HydrophobicContact CE2-CB 4.1Å; F323-Q331 HydrophobicContact CE2-CG 4.3Å; Q331-C348 WeakPolarHBondContact O-CA 3.34Å; Q331-V349 HydrophobicContact CB-CB 4.43Å; Q331-V349 PolarHBondContact N-O 2.03Å; Q331-V349 PolarHBondContact O-N 2.76Å; Q331-T351 HydrophobicContact CG-CG2 3.67Å |
| 332 | M | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.8 | 177.2 | -61.3 | 171.9 | 72.1 | 0 | 0 | 110.1 | I324 K325 A347 F360 T362 E366 F367 | I324-M332 HydrophobicContact CB-CB 4.1Å; I324-M332 WeakPolarHBondContact CB-O 3.29Å; I324-M332 HydrophobicContact CG1-CB 4.46Å; I324-M332 PolarHBondContact N-O 2.79Å; K325-M332 HydrophobicContact CG-SD 3.99Å; K325-M332 PolarHBondContact O-N 2.71Å; M332-A347 WeakPolarHBondContact CA-O 3.31Å; M332-F360 HydrophobicContact CE-CE1 4.47Å; M332-F360 HydrophobicContact CG-CE1 4.24Å; M332-F360 HydrophobicContact CG-CZ 4.04Å; M332-F360 HydrophobicContact SD-CE1 4.19Å; M332-F360 HydrophobicContact SD-CZ 3.76Å; M332-T362 VanDerWaalsContact CE-OG1 3.31Å; M332-T362 WeakPolarHBondContact CE-OG1 3.05Å; M332-E366 HydrophobicContact CE-CB 3.91Å; M332-F367 HydrophobicContact CB-CE1 4.05Å; M332-F367 HydrophobicContact CE-CD1 4.21Å; M332-F367 HydrophobicContact CE-CD2 3.97Å; M332-F367 HydrophobicContact CE-CE1 3.81Å; M332-F367 HydrophobicContact CE-CE2 3.55Å; M332-F367 HydrophobicContact CE-CG 4.29Å; M332-F367 HydrophobicContact CE-CZ 3.47Å; M332-F367 VanDerWaalsContact CE-CZ 3.47Å; M332-F367 HydrophobicContact CG-CE1 4.47Å |
| 333 | W | 98.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.5 | -178.2 | -59.6 | 82.1 | 0 | 0 | 0 | 111 | I236 K240 M279 M282 F283 A321 E322 F323 I346 A347 | I236-W333 HydrophobicContact CG2-CZ2 3.96Å; K240-W333 HydrophobicContact CB-CH2 3.73Å; K240-W333 HydrophobicContact CB-CZ2 3.83Å; M279-W333 HydrophobicContact CE-CD2 3.68Å; M279-W333 HydrophobicContact CE-CE3 4.23Å; M279-W333 HydrophobicContact CE-CG 3.84Å; M279-W333 HydrophobicContact CE-CZ2 4.12Å; M282-W333 HydrophobicContact CE-CB 4.19Å; F283-W333 HydrophobicContact CE1-CE3 4.02Å; F283-W333 AromaticContact CE1-CH2 3.86Å; F283-W333 HydrophobicContact CE1-CH2 3.86Å; F283-W333 HydrophobicContact CE1-CZ2 4.5Å; F283-W333 AromaticContact CE1-CZ3 3.61Å; F283-W333 HydrophobicContact CE1-CZ3 3.61Å; F283-W333 HydrophobicContact CZ-CH2 4.09Å; F283-W333 HydrophobicContact CZ-CZ2 4.48Å; F283-W333 HydrophobicContact CZ-CZ3 4.3Å; A321-W333 HydrophobicContact CB-CE3 4.49Å; E322-W333 VanDerWaalsContact C-CE3 3.46Å; E322-W333 WeakPolarHBondContact O-CA 3.45Å; F323-W333 VanDerWaalsContact CA-CE3 3.42Å; F323-W333 HydrophobicContact CB-CD2 4.22Å; F323-W333 HydrophobicContact CB-CE3 3.78Å; F323-W333 HydrophobicContact CB-CH2 3.8Å; F323-W333 HydrophobicContact CB-CZ2 4.22Å; F323-W333 HydrophobicContact CB-CZ3 3.54Å; F323-W333 HydrophobicContact CD2-CD2 4.22Å; F323-W333 AromaticContact CD2-CE2 3.79Å; F323-W333 HydrophobicContact CD2-CH2 4.27Å; F323-W333 AromaticContact CD2-CZ2 3.83Å; F323-W333 HydrophobicContact CD2-CZ2 3.83Å; F323-W333 HydrophobicContact CG-CH2 4.44Å; F323-W333 HydrophobicContact CG-CZ2 4.45Å; W333-I346 WeakPolarHBondContact O-CA 3.18Å; W333-A347 HydrophobicContact CB-CB 4.25Å; W333-A347 PolarHBondContact N-O 3.05Å; W333-A347 PolarHBondContact O-N 2.77Å |
| 334 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 144.4 | 173.5 | -170.6 | 171.4 | 0 | 0 | 0 | 111 | A321 E322 I324 W344 A345 I346 F367 Y372 I374 | A321-I334 CarbonylContact C-O 3.54Å; A321-I334 WeakPolarHBondContact CA-O 3.27Å; A321-I334 WeakPolarHBondContact CB-O 3.49Å; E322-I334 PolarHBondContact N-O 2.82Å; E322-I334 PolarHBondContact O-N 3.06Å; I324-I334 HydrophobicContact CD1-CB 4.21Å; I324-I334 HydrophobicContact CD1-CG2 3.43Å; I324-I334 VanDerWaalsContact CD1-CG2 3.43Å; I324-I334 HydrophobicContact CG1-CG2 4.27Å; I334-W344 HydrophobicContact CD1-CB 4.36Å; I334-W344 HydrophobicContact CD1-CG 4.19Å; I334-W344 HydrophobicContact CG1-CB 4.33Å; I334-A345 CarbonylContact C-O 2.95Å; I334-A345 WeakPolarHBondContact CA-O 3.43Å; I334-I346 HydrophobicContact CB-CG2 4.44Å; I334-I346 HydrophobicContact CD1-CG2 4.48Å; I334-I346 HydrophobicContact CG1-CG2 4.09Å; I334-F367 HydrophobicContact CB-CB 4.45Å; I334-F367 HydrophobicContact CD1-CB 4.08Å; I334-F367 WeakPolarHBondContact CD1-O 3.37Å; I334-Y372 HydrophobicContact CG2-CD2 4.05Å; I334-I374 HydrophobicContact CD1-CD1 3.86Å; I334-I374 HydrophobicContact CD1-CG1 3.5Å; I334-I374 VanDerWaalsContact CD1-CG1 3.5Å |
| 335 | R | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132 | 171 | -177.8 | 176.2 | 175.9 | 173.4 | -4.2 | 109.4 | C281 M282 A284 I312 D313 H319 A321 L337 W344 A345 | C281-R335 PolarHBondContact O-NH1 3.46Å; M282-R335 HydrophobicContact CE-CB 3.74Å; M282-R335 WeakPolarHBondContact O-CD 3.2Å; M282-R335 HydrophobicContact SD-CB 4.09Å; A284-R335 VanDerWaalsContact CA-NH1 3.33Å; I312-R335 PolarHBondContact O-NH1 3.49Å; I312-R335 PolarHBondContact O-NH2 2.82Å; D313-R335 PolarHBondContact O-NH2 2.86Å; H319-R335 WeakPolarHBondContact O-CD 3.34Å; H319-R335 VanDerWaalsContact O-CG 3.31Å; H319-R335 WeakPolarHBondContact O-CG 3.4Å; H319-R335 VanDerWaalsContact O-CZ 3.3Å; H319-R335 PolarHBondContact O-NE 2.86Å; A321-R335 HydrophobicContact CB-CB 4.01Å; R335-L337 HydrophobicContact CG-CD2 4.05Å; R335-W344 CarbonylContact O-C 3.57Å; R335-W344 VanDerWaalsContact O-CA 3.22Å; R335-W344 WeakPolarHBondContact O-CA 3.47Å; R335-W344 WeakPolarHBondContact O-CB 3.1Å; R335-A345 HydrophobicContact CB-CB 4.45Å; R335-A345 PolarHBondContact N-O 3.12Å; R335-A345 PolarHBondContact O-N 2.85Å |
| 336 | Q | 97.2 | Very high | 95.4 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 142.4 | 168.4 | 179.4 | 172.7 | -1.3 | 0 | 0 | 110.5 | H319 N338 Y372 | H319-Q336 HydrophobicContact CB-CB 4.27Å; H319-Q336 WeakPolarHBondContact CB-O 3.29Å; Q336-N338 PolarHBondContact NE2-OD1 2.88Å; Q336-Y372 HydrophobicContact CB-CD1 3.7Å; Q336-Y372 HydrophobicContact CB-CE1 3.84Å; Q336-Y372 HydrophobicContact CB-CG 4.23Å |
| 337 | L | 97.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.4 | -179.6 | -59.9 | 171 | 0 | 0 | 0 | 110 | I312 D315 R335 G343 A345 R412 | I312-L337 HydrophobicContact CD1-CD1 3.6Å; I312-L337 HydrophobicContact CG2-CD2 4.29Å; D315-L337 HydrophobicContact CB-CD2 3.62Å; D315-L337 WeakPolarHBondContact OD2-CA 3.48Å; R335-L337 HydrophobicContact CG-CD2 4.05Å; L337-G343 PolarHBondContact N-O 2.96Å; L337-G343 PolarHBondContact O-N 2.81Å; L337-A345 HydrophobicContact CD1-CB 3.72Å; L337-R412 VanDerWaalsContact CD1-NH1 3.29Å |
| 338 | N | 94.4 | Very high | 95.6 | Very high | 70 Ų | 70 | 31.9 Ų | 31.9 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | trans | -103.5 | -16.3 | -174.6 | -74.1 | 8.5 | 0 | 0 | 0 | 113.3 | D315 H319 Q336 V342 | D315-N338 PolarHBondContact OD1-N 3.42Å; D315-N338 PolarHBondContact OD2-N 3.16Å; H319-N338 PolarHBondContact NE2-ND2 3.33Å; H319-N338 PolarHBondContact NE2-OD1 3Å; Q336-N338 PolarHBondContact NE2-OD1 2.88Å; N338-V342 WeakPolarHBondContact O-CG2 3.21Å | ||
| 339 | D | 89.3 | Confident | 95.7 | Very high | 51 Ų | 51 | 26 Ų | 26 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -73.5 | 152.2 | 173.6 | -78.4 | -29.8 | 0 | 0 | 0 | 111.2 | D315 R316 P341 V342 R412 | D315-D339 WeakPolarHBondContact CA-OD2 3.45Å; D315-D339 WeakPolarHBondContact OD2-CB 3.44Å; D315-D339 PolarHBondContact OD2-N 3.13Å; R316-D339 WeakPolarHBondContact CB-OD1 3.32Å; R316-D339 WeakPolarHBondContact CD-OD1 3.41Å; R316-D339 WeakPolarHBondContact CG-OD2 3.44Å; R316-D339 PolarHBondContact N-OD2 2.86Å; D339-P341 CarbonylContact O-C 3.54Å; D339-V342 PolarHBondContact O-N 3.21Å; D339-R412 PolarHBondContact O-NH2 2.77Å |
| 340 | C | 82 | Confident | 95.8 | Very high | 116 Ų | 116 | 23.1 Ų | 23.1 | 78% | 0.784 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -67.4 | 133.6 | -175.1 | -90.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 341 | P | 85.1 | Confident | 95.7 | Very high | 58 Ų | 58 | 25 Ų | 25 | 38% | 0.377 | 14% | 0.144 | S | C | . | . | S | Bend | cis | -73 | 134.3 | -7.7 | 31.2 | -35.3 | 0 | 0 | 0 | 111.7 | D339 G343 R412 N414 | D339-P341 CarbonylContact O-C 3.54Å; P341-G343 PolarHBondContact O-N 3.4Å; P341-R412 VanDerWaalsContact O-CZ 3.3Å; P341-R412 PolarHBondContact O-NH2 3.08Å; P341-N414 HydrophobicContact CG-CB 4.48Å; P341-N414 WeakPolarHBondContact CG-OD1 3.24Å |
| 342 | V | 90.7 | Very high | 95.6 | Very high | 84 Ų | 84 | 29.6 Ų | 29.6 | 51% | 0.509 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -55.9 | 135.9 | 172.8 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | N338 D339 P415 | N338-V342 WeakPolarHBondContact O-CG2 3.21Å; D339-V342 PolarHBondContact O-N 3.21Å; V342-P415 VanDerWaalsContact O-CD 3.3Å; V342-P415 WeakPolarHBondContact O-CD 3.46Å; V342-P415 WeakPolarHBondContact O-CG 3.37Å |
| 343 | G | 94.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -139.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L337 P341 | L337-G343 PolarHBondContact N-O 2.96Å; L337-G343 PolarHBondContact O-N 2.81Å; P341-G343 PolarHBondContact O-N 3.4Å |
| 344 | W | 97.9 | Very high | 95 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 162.4 | -177.5 | -54 | -94.5 | 0 | 0 | 0 | 111.7 | I334 R335 I374 S375 F379 R412 V413 P415 | I334-W344 HydrophobicContact CD1-CB 4.36Å; I334-W344 HydrophobicContact CD1-CG 4.19Å; I334-W344 HydrophobicContact CG1-CB 4.33Å; R335-W344 CarbonylContact O-C 3.57Å; R335-W344 VanDerWaalsContact O-CA 3.22Å; R335-W344 WeakPolarHBondContact O-CA 3.47Å; R335-W344 WeakPolarHBondContact O-CB 3.1Å; W344-I374 HydrophobicContact CD2-CB 4.36Å; W344-I374 HydrophobicContact CD2-CG1 3.93Å; W344-I374 HydrophobicContact CD2-CG2 4.28Å; W344-I374 HydrophobicContact CE3-CB 4.49Å; W344-I374 HydrophobicContact CE3-CG1 4.35Å; W344-I374 HydrophobicContact CE3-CG2 3.91Å; W344-I374 HydrophobicContact CG-CG1 3.98Å; W344-I374 HydrophobicContact CH2-CG2 4.31Å; W344-I374 HydrophobicContact CZ3-CG2 3.94Å; W344-S375 VanDerWaalsContact CH2-N 3.34Å; W344-S375 VanDerWaalsContact CH2-O 3.28Å; W344-S375 WeakPolarHBondContact CH2-O 3.45Å; W344-F379 HydrophobicContact CZ3-CD1 4.46Å; W344-F379 AromaticContact CZ3-CE1 3.87Å; W344-F379 HydrophobicContact CZ3-CE1 3.87Å; W344-R412 VanDerWaalsContact N-NH1 3.18Å; W344-R412 PolarHBondContact O-NH1 2.94Å; W344-V413 HydrophobicContact CB-CB 4.21Å; W344-V413 HydrophobicContact CE3-CB 4.46Å; W344-V413 HydrophobicContact CE3-CG1 4.28Å; W344-V413 PolarHBondContact N-O 3.25Å; W344-V413 PolarHBondContact O-N 3.35Å; W344-P415 HydrophobicContact CZ3-CB 4.45Å; W344-P415 HydrophobicContact CZ3-CG 4.18Å |
| 345 | A | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 141.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | M282 I312 I334 R335 L337 F411 | M282-A345 HydrophobicContact CE-CB 4.36Å; M282-A345 HydrophobicContact SD-CB 3.72Å; I312-A345 HydrophobicContact CD1-CB 4.13Å; I312-A345 HydrophobicContact CG1-CB 4.49Å; I312-A345 HydrophobicContact CG2-CB 4.11Å; I334-A345 CarbonylContact C-O 2.95Å; I334-A345 WeakPolarHBondContact CA-O 3.43Å; R335-A345 HydrophobicContact CB-CB 4.45Å; R335-A345 PolarHBondContact N-O 3.12Å; R335-A345 PolarHBondContact O-N 2.85Å; L337-A345 HydrophobicContact CD1-CB 3.72Å; A345-F411 VanDerWaalsContact CA-O 3.29Å; A345-F411 WeakPolarHBondContact CA-O 3.48Å |
| 346 | I | 98.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.6 | 172.5 | 59.5 | 168 | 0 | 0 | 0 | 109.4 | W333 I334 L364 F367 I374 F399 M410 F411 V413 | W333-I346 WeakPolarHBondContact O-CA 3.18Å; I334-I346 HydrophobicContact CB-CG2 4.44Å; I334-I346 HydrophobicContact CD1-CG2 4.48Å; I334-I346 HydrophobicContact CG1-CG2 4.09Å; I346-L364 HydrophobicContact CD1-CD2 3.85Å; I346-F367 HydrophobicContact CB-CD1 3.72Å; I346-F367 HydrophobicContact CB-CE1 3.63Å; I346-F367 HydrophobicContact CB-CG 4.31Å; I346-F367 HydrophobicContact CB-CZ 4.15Å; I346-F367 HydrophobicContact CD1-CD2 4.29Å; I346-F367 HydrophobicContact CD1-CE1 4.17Å; I346-F367 HydrophobicContact CD1-CE2 3.84Å; I346-F367 HydrophobicContact CD1-CZ 3.75Å; I346-F367 HydrophobicContact CG1-CE1 4.41Å; I346-F367 HydrophobicContact CG1-CZ 4.45Å; I346-F367 HydrophobicContact CG2-CB 4.06Å; I346-F367 HydrophobicContact CG2-CD1 3.53Å; I346-F367 HydrophobicContact CG2-CD2 4.38Å; I346-F367 HydrophobicContact CG2-CE1 3.99Å; I346-F367 HydrophobicContact CG2-CG 3.74Å; I346-I374 HydrophobicContact CG2-CD1 4.18Å; I346-F399 HydrophobicContact CD1-CZ 4.35Å; I346-M410 VanDerWaalsContact O-CA 3.31Å; I346-M410 WeakPolarHBondContact O-CA 3.28Å; I346-F411 HydrophobicContact CD1-CB 4.28Å; I346-F411 HydrophobicContact CD1-CD2 4.09Å; I346-F411 HydrophobicContact CG1-CB 3.86Å; I346-F411 HydrophobicContact CG1-CD2 4.19Å; I346-F411 PolarHBondContact N-O 2.97Å; I346-F411 PolarHBondContact O-N 2.77Å; I346-V413 HydrophobicContact CB-CG2 4.47Å; I346-V413 HydrophobicContact CD1-CG2 4.09Å; I346-V413 HydrophobicContact CG1-CG2 3.82Å; I346-V413 HydrophobicContact CG2-CG2 3.97Å |
| 347 | A | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M279 M282 M332 W333 I408 M409 M410 | M279-A347 HydrophobicContact SD-CB 4.23Å; M282-A347 HydrophobicContact CE-CB 4.1Å; M282-A347 HydrophobicContact CG-CB 4.1Å; M282-A347 HydrophobicContact SD-CB 4.45Å; M332-A347 WeakPolarHBondContact CA-O 3.31Å; W333-A347 HydrophobicContact CB-CB 4.25Å; W333-A347 PolarHBondContact N-O 3.05Å; W333-A347 PolarHBondContact O-N 2.77Å; A347-I408 HydrophobicContact CB-CD1 4.1Å; A347-I408 HydrophobicContact CB-CG1 4.46Å; A347-M409 WeakPolarHBondContact CA-O 3.35Å; A347-M410 HydrophobicContact CB-CG 3.89Å |
| 348 | C | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 110.9 | 171.8 | -66.8 | 0 | 0 | 0 | 0 | 108.8 | V330 Q331 I401 I403 I408 M409 | V330-C348 HydrophobicContact CG1-CB 3.75Å; Q331-C348 WeakPolarHBondContact O-CA 3.34Å; C348-I401 HydrophobicContact CB-CD1 4.49Å; C348-I403 HydrophobicContact CB-CD1 3.6Å; C348-I408 VanDerWaalsContact O-CA 3.3Å; C348-I408 WeakPolarHBondContact O-CA 3.38Å; C348-M409 PolarHBondContact N-O 3.13Å; C348-M409 PolarHBondContact O-N 3.34Å |
| 349 | V | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.2 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | V275 M279 V330 Q331 T351 I408 | V275-V349 HydrophobicContact CG1-CG1 4.01Å; V275-V349 HydrophobicContact CG2-CG1 4.2Å; M279-V349 HydrophobicContact CG-CG2 4.08Å; M279-V349 HydrophobicContact SD-CG2 3.6Å; V330-V349 CarbonylContact C-O 3.25Å; V330-V349 VanDerWaalsContact CA-O 3.27Å; V330-V349 WeakPolarHBondContact CA-O 3.4Å; Q331-V349 HydrophobicContact CB-CB 4.43Å; Q331-V349 PolarHBondContact N-O 2.03Å; Q331-V349 PolarHBondContact O-N 2.76Å; V349-T351 HydrophobicContact CG1-CG2 4.33Å; V349-T351 PolarHBondContact O-N 3.16Å; V349-I408 HydrophobicContact CG2-CB 4.21Å; V349-I408 HydrophobicContact CG2-CD1 3.76Å; V349-I408 HydrophobicContact CG2-CG1 3.8Å |
| 350 | Y | 98.4 | Very high | 95 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 109.5 | 175.2 | -178.6 | -146.1 | 0 | 0 | 0 | 109.8 | D329 V330 R352 I358 N404 P405 S406 G407 | D329-Y350 HydrophobicContact CB-CD2 4.11Å; D329-Y350 HydrophobicContact CB-CE2 3.9Å; V330-Y350 HydrophobicContact CG2-CD2 4.09Å; Y350-R352 HydrophobicContact CD2-CB 4.36Å; Y350-R352 HydrophobicContact CD2-CG 4.47Å; Y350-R352 HydrophobicContact CE1-CB 4.27Å; Y350-R352 HydrophobicContact CE2-CB 3.76Å; Y350-R352 HydrophobicContact CE2-CG 3.69Å; Y350-R352 WeakPolarHBondContact OH-CD 3.32Å; Y350-I358 HydrophobicContact CD1-CD1 4.09Å; Y350-I358 HydrophobicContact CD1-CG1 3.94Å; Y350-I358 HydrophobicContact CD2-CD1 3.64Å; Y350-I358 HydrophobicContact CD2-CG1 4.39Å; Y350-I358 HydrophobicContact CE1-CD1 4.24Å; Y350-I358 HydrophobicContact CE1-CG1 4.02Å; Y350-I358 HydrophobicContact CE1-CG2 3.79Å; Y350-I358 HydrophobicContact CE2-CD1 3.77Å; Y350-I358 HydrophobicContact CE2-CG1 4.43Å; Y350-I358 HydrophobicContact CE2-CG2 4.31Å; Y350-I358 HydrophobicContact CG-CD1 3.82Å; Y350-I358 HydrophobicContact CG-CG1 4.16Å; Y350-I358 WeakPolarHBondContact OH-CG2 3.16Å; Y350-N404 WeakPolarHBondContact CD1-O 3.27Å; Y350-P405 HydrophobicContact CE1-CB 4.34Å; Y350-P405 HydrophobicContact CE1-CG 4.2Å; Y350-S406 VanDerWaalsContact O-CA 3.28Å; Y350-S406 WeakPolarHBondContact O-CA 3.42Å; Y350-S406 PolarHBondContact O-N 3.4Å; Y350-S406 VanDerWaalsContact O-N 3.17Å; Y350-G407 PolarHBondContact N-O 2.84Å |
| 351 | T | 96.8 | Very high | 95.8 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | trans | -84.7 | -11.2 | -165.9 | 58.3 | 0 | 0 | 0 | 0 | 114.3 | I233 D329 Q331 V349 S353 | I233-T351 HydrophobicContact CD1-CG2 4.19Å; D329-T351 PolarHBondContact O-N 3.01Å; D329-T351 PolarHBondContact O-OG1 2.85Å; Q331-T351 HydrophobicContact CG-CG2 3.67Å; V349-T351 HydrophobicContact CG1-CG2 4.33Å; V349-T351 PolarHBondContact O-N 3.16Å; T351-S353 PolarHBondContact O-N 3.15Å | ||
| 352 | R | 95.7 | Very high | 96.4 | Very high | 100 Ų | 100 | 41.1 Ų | 41.1 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | trans | -68.5 | 131.3 | 172.5 | -66.6 | -163.3 | 70.6 | 108.4 | -2.1 | 110.1 | D329 Y350 D354 P405 S406 | D329-R352 HydrophobicContact CB-CG 3.69Å; D329-R352 VanDerWaalsContact OD2-CD 3.32Å; D329-R352 WeakPolarHBondContact OD2-CD 3.22Å; D329-R352 IonicContact OD2-NH1 3.16Å; Y350-R352 HydrophobicContact CD2-CB 4.36Å; Y350-R352 HydrophobicContact CD2-CG 4.47Å; Y350-R352 HydrophobicContact CE1-CB 4.27Å; Y350-R352 HydrophobicContact CE2-CB 3.76Å; Y350-R352 HydrophobicContact CE2-CG 3.69Å; Y350-R352 WeakPolarHBondContact OH-CD 3.32Å; R352-D354 IonicContact CZ-OD1 3.09Å; R352-D354 VanDerWaalsContact CZ-OD1 3.26Å; R352-D354 IonicContact CZ-OD2 2.64Å; R352-D354 IonicContact NE-OD1 2.64Å; R352-D354 PolarHBondContact NE-OD1 2.76Å; R352-D354 VanDerWaalsContact NH2-CG 3.26Å; R352-D354 IonicContact NH2-OD1 2.8Å; R352-D354 PolarHBondContact NH2-OD1 2.53Å; R352-D354 IonicContact NH2-OD2 3.56Å; R352-D354 PolarHBondContact NH2-OD2 2.66Å; R352-P405 CarbonylContact O-C 3.55Å; R352-P405 VanDerWaalsContact O-CA 3.31Å; R352-P405 WeakPolarHBondContact O-CA 3.49Å; R352-P405 WeakPolarHBondContact O-CB 3.17Å; R352-S406 PolarHBondContact O-N 2.77Å | ||
| 353 | S | 92.1 | Very high | 96.8 | Very high | 83 Ų | 83 | 38.2 Ų | 38.2 | 58% | 0.58 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -90.9 | -6 | 173.5 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | T351 | T351-S353 PolarHBondContact O-N 3.15Š|
| 354 | D | 92.3 | Very high | 96.9 | Very high | 83 Ų | 83 | 38.2 Ų | 38.2 | 44% | 0.444 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -119.3 | 169.9 | -178.5 | 68.7 | -28.7 | 0 | 0 | 0 | 111.5 | R352 | R352-D354 IonicContact CZ-OD1 3.09Å; R352-D354 VanDerWaalsContact CZ-OD1 3.26Å; R352-D354 IonicContact CZ-OD2 2.64Å; R352-D354 IonicContact NE-OD1 2.64Å; R352-D354 PolarHBondContact NE-OD1 2.76Å; R352-D354 VanDerWaalsContact NH2-CG 3.26Å; R352-D354 IonicContact NH2-OD1 2.8Å; R352-D354 PolarHBondContact NH2-OD1 2.53Å; R352-D354 IonicContact NH2-OD2 3.56Å; R352-D354 PolarHBondContact NH2-OD2 2.66Å |
| 355 | G | 91.1 | Very high | 96.9 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 73% | 0.732 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 84.1 | -157.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P405 | G355-P405 WeakPolarHBondContact O-CG 3.15Š|
| 356 | G | 94.7 | Very high | 96.9 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | trans | -116.8 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 357 | P | 96.7 | Very high | 96.8 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 59% | 0.591 | 26% | 0.257 | S | S | * | . | trans | -57.8 | 145.5 | 174.3 | -20.6 | 32.4 | 0 | 0 | 0 | 111.6 | I403 N404 | P357-I403 CarbonylContact C-O 3.51Å; P357-I403 WeakPolarHBondContact CA-O 3.48Å; P357-N404 WeakPolarHBondContact CG-OD1 3.16Å | ||
| 358 | I | 97.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.205 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 155.1 | 176.2 | 61 | 164.3 | 0 | 0 | 0 | 111.1 | V330 Y350 F360 P402 I403 | V330-I358 HydrophobicContact CG2-CD1 3.49Å; V330-I358 VanDerWaalsContact CG2-CD1 3.49Å; Y350-I358 HydrophobicContact CD1-CD1 4.09Å; Y350-I358 HydrophobicContact CD1-CG1 3.94Å; Y350-I358 HydrophobicContact CD2-CD1 3.64Å; Y350-I358 HydrophobicContact CD2-CG1 4.39Å; Y350-I358 HydrophobicContact CE1-CD1 4.24Å; Y350-I358 HydrophobicContact CE1-CG1 4.02Å; Y350-I358 HydrophobicContact CE1-CG2 3.79Å; Y350-I358 HydrophobicContact CE2-CD1 3.77Å; Y350-I358 HydrophobicContact CE2-CG1 4.43Å; Y350-I358 HydrophobicContact CE2-CG2 4.31Å; Y350-I358 HydrophobicContact CG-CD1 3.82Å; Y350-I358 HydrophobicContact CG-CG1 4.16Å; Y350-I358 WeakPolarHBondContact OH-CG2 3.16Å; I358-F360 HydrophobicContact CD1-CB 4.36Å; I358-P402 CarbonylContact O-C 3.4Å; I358-P402 WeakPolarHBondContact O-CA 3.45Å; I358-I403 HydrophobicContact CG1-CB 4.27Å; I358-I403 PolarHBondContact N-O 3.1Å; I358-I403 PolarHBondContact O-N 3.03Å |
| 359 | N | 98 | Very high | 96.5 | Very high | 126 Ų | 126 | 49.1 Ų | 49.1 | 67% | 0.674 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 93.8 | 169.9 | -77.9 | -22.9 | 0 | 0 | 0 | 109.2 | T400 | N359-T400 HydrophobicContact CB-CG2 3.62Å |
| 360 | F | 98.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.022 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 113.8 | -178 | -178.3 | -104.8 | 0 | 0 | 0 | 110.8 | R327 V330 M332 I358 T362 I401 I403 | R327-F360 HydrophobicContact CB-CE2 4.29Å; V330-F360 HydrophobicContact CB-CD2 3.9Å; V330-F360 HydrophobicContact CB-CE2 3.75Å; V330-F360 HydrophobicContact CB-CG 4.38Å; V330-F360 HydrophobicContact CB-CZ 4.11Å; V330-F360 HydrophobicContact CG1-CD1 4.22Å; V330-F360 HydrophobicContact CG1-CD2 4.26Å; V330-F360 HydrophobicContact CG1-CE1 4.09Å; V330-F360 HydrophobicContact CG1-CE2 4.13Å; V330-F360 HydrophobicContact CG1-CG 4.29Å; V330-F360 HydrophobicContact CG1-CZ 4.03Å; V330-F360 HydrophobicContact CG2-CB 4.4Å; V330-F360 HydrophobicContact CG2-CD2 3.64Å; V330-F360 HydrophobicContact CG2-CE2 4.02Å; V330-F360 HydrophobicContact CG2-CG 4.04Å; M332-F360 HydrophobicContact CE-CE1 4.47Å; M332-F360 HydrophobicContact CG-CE1 4.24Å; M332-F360 HydrophobicContact CG-CZ 4.04Å; M332-F360 HydrophobicContact SD-CE1 4.19Å; M332-F360 HydrophobicContact SD-CZ 3.76Å; I358-F360 HydrophobicContact CD1-CB 4.36Å; F360-T362 HydrophobicContact CD1-CG2 4.27Å; F360-T362 HydrophobicContact CE1-CG2 3.93Å; F360-I401 HydrophobicContact CD1-CD1 4.27Å; F360-I401 PolarHBondContact N-O 3.05Å; F360-I401 PolarHBondContact O-N 2.93Å; F360-I403 HydrophobicContact CB-CD1 4.04Å |
| 361 | T | 98.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 59 Ų | 59 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.8 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | R327 N398 F399 T400 | R327-T361 PolarHBondContact NH2-O 3.23Å; T361-N398 HydrophobicContact CG2-CB 4Å; T361-F399 WeakPolarHBondContact CA-O 3.08Å; T361-T400 PolarHBondContact OG1-OG1 2.96Å |
| 362 | T | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | -178.3 | 179.5 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | M332 F360 E366 F367 N398 F399 I401 | M332-T362 VanDerWaalsContact CE-OG1 3.31Å; M332-T362 WeakPolarHBondContact CE-OG1 3.05Å; F360-T362 HydrophobicContact CD1-CG2 4.27Å; F360-T362 HydrophobicContact CE1-CG2 3.93Å; T362-E366 WeakPolarHBondContact CA-OE1 3.48Å; T362-E366 WeakPolarHBondContact CB-OE1 3.19Å; T362-E366 PolarHBondContact OG1-OE1 2.91Å; T362-F367 HydrophobicContact CG2-CE2 3.81Å; T362-F367 HydrophobicContact CG2-CZ 4.21Å; T362-N398 CarbonylContact O-C 3.35Å; T362-N398 VanDerWaalsContact O-CA 3.27Å; T362-N398 WeakPolarHBondContact O-CA 3.39Å; T362-F399 HydrophobicContact CG2-CE2 4.06Å; T362-F399 HydrophobicContact CG2-CZ 3.95Å; T362-F399 PolarHBondContact N-O 3.4Å; T362-F399 WeakPolarHBondContact O-CD1 3.34Å; T362-F399 PolarHBondContact O-N 3.11Å; T362-I401 HydrophobicContact CG2-CD1 4.02Å |
| 363 | N | 97.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | trans | -139.3 | 167.1 | 170.2 | 60.8 | 67.6 | 0 | 0 | 0 | 110.4 | D365 E366 F367 E397 N398 | N363-D365 PolarHBondContact O-N 3.23Å; N363-D365 WeakPolarHBondContact OD1-CB 3.49Å; N363-D365 PolarHBondContact OD1-N 3.46Å; N363-E366 WeakPolarHBondContact O-CB 3.49Å; N363-E366 PolarHBondContact O-N 3.42Å; N363-E366 PolarHBondContact OD1-N 3.07Å; N363-F367 WeakPolarHBondContact O-CD2 3.04Å; N363-E397 WeakPolarHBondContact CB-O 3.44Å; N363-N398 PolarHBondContact ND2-OD1 3.33Å | ||
| 364 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -69.6 | -28.5 | -174.5 | -67.2 | 178.8 | 0 | 0 | 0 | 113.6 | I346 E366 F367 I374 F379 L381 V393 L395 F399 V413 | I346-L364 HydrophobicContact CD1-CD2 3.85Å; L364-E366 PolarHBondContact O-N 3.29Å; L364-F367 PolarHBondContact O-N 3.19Å; L364-I374 HydrophobicContact CB-CD1 4.11Å; L364-I374 HydrophobicContact CD2-CD1 3.99Å; L364-F379 HydrophobicContact CD1-CB 3.72Å; L364-F379 HydrophobicContact CD1-CD1 4.33Å; L364-F379 HydrophobicContact CD1-CD2 3.38Å; L364-F379 HydrophobicContact CD1-CE2 4.07Å; L364-F379 HydrophobicContact CD1-CG 3.54Å; L364-L381 HydrophobicContact CD1-CD2 4.28Å; L364-L381 HydrophobicContact CD2-CD2 4.1Å; L364-V393 HydrophobicContact CD1-CG2 3.65Å; L364-V393 HydrophobicContact CG-CG2 4.1Å; L364-L395 CarbonylContact C-O 3.59Å; L364-L395 HydrophobicContact CB-CD1 3.91Å; L364-L395 PolarHBondContact N-O 2.81Å; L364-L395 VanDerWaalsContact N-O 3.11Å; L364-F399 HydrophobicContact CD2-CE1 4.16Å; L364-F399 HydrophobicContact CD2-CZ 4.07Å; L364-F399 HydrophobicContact CG-CE1 4.08Å; L364-F399 HydrophobicContact CG-CZ 4.49Å; L364-V413 HydrophobicContact CD1-CG1 3.84Å; L364-V413 HydrophobicContact CD2-CG1 4.21Å; L364-V413 HydrophobicContact CD2-CG2 4.1Å |
| 365 | D | 97.2 | Very high | 96 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -61.6 | -25.8 | 175 | -164.2 | 46.8 | 0 | 0 | 0 | 112 | N363 F367 L395 K396 | N363-D365 PolarHBondContact O-N 3.23Å; N363-D365 WeakPolarHBondContact OD1-CB 3.49Å; N363-D365 PolarHBondContact OD1-N 3.46Å; D365-F367 VanDerWaalsContact C-N 3.28Å; D365-F367 PolarHBondContact O-N 3.01Å; D365-L395 HydrophobicContact CB-CG 4.16Å; D365-L395 PolarHBondContact N-O 2.85Å; D365-K396 HydrophobicContact CB-CG 3.95Å; D365-K396 WeakPolarHBondContact OD2-CE 3.37Å |
| 366 | E | 97.4 | Very high | 96 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -70.1 | -22.3 | 174.2 | -62.4 | -160.1 | -104.9 | 0 | 0 | 113.6 | I324 K325 R327 M332 T362 N363 L364 K368 | I324-E366 VanDerWaalsContact CG2-O 3.29Å; I324-E366 WeakPolarHBondContact CG2-O 3.05Å; K325-E366 VanDerWaalsContact CE-OE2 3.29Å; K325-E366 WeakPolarHBondContact CE-OE2 3.24Å; K325-E366 IonicContact NZ-OE2 2.98Å; K325-E366 PolarHBondContact NZ-OE2 3.16Å; R327-E366 IonicContact CZ-OE1 3.69Å; R327-E366 IonicContact CZ-OE2 3.3Å; R327-E366 VanDerWaalsContact NH1-CD 3.29Å; R327-E366 IonicContact NH1-OE1 2.71Å; R327-E366 PolarHBondContact NH1-OE1 3.42Å; R327-E366 IonicContact NH1-OE2 3.69Å; R327-E366 PolarHBondContact NH1-OE2 2.85Å; R327-E366 IonicContact NH2-OE1 3.35Å; R327-E366 PolarHBondContact NH2-OE1 2.9Å; M332-E366 HydrophobicContact CE-CB 3.91Å; T362-E366 WeakPolarHBondContact CA-OE1 3.48Å; T362-E366 WeakPolarHBondContact CB-OE1 3.19Å; T362-E366 PolarHBondContact OG1-OE1 2.91Å; N363-E366 WeakPolarHBondContact O-CB 3.49Å; N363-E366 PolarHBondContact O-N 3.42Å; N363-E366 PolarHBondContact OD1-N 3.07Å; L364-E366 PolarHBondContact O-N 3.29Å; E366-K368 PolarHBondContact O-N 2.81Å |
| 367 | F | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | trans | -86.3 | 62.3 | 179.7 | -67.4 | -95.3 | 0 | 0 | 0 | 110.9 | M332 I334 I346 T362 N363 L364 D365 I374 | M332-F367 HydrophobicContact CB-CE1 4.05Å; M332-F367 HydrophobicContact CE-CD1 4.21Å; M332-F367 HydrophobicContact CE-CD2 3.97Å; M332-F367 HydrophobicContact CE-CE1 3.81Å; M332-F367 HydrophobicContact CE-CE2 3.55Å; M332-F367 HydrophobicContact CE-CG 4.29Å; M332-F367 HydrophobicContact CE-CZ 3.47Å; M332-F367 VanDerWaalsContact CE-CZ 3.47Å; M332-F367 HydrophobicContact CG-CE1 4.47Å; I334-F367 HydrophobicContact CB-CB 4.45Å; I334-F367 HydrophobicContact CD1-CB 4.08Å; I334-F367 WeakPolarHBondContact CD1-O 3.37Å; I346-F367 HydrophobicContact CB-CD1 3.72Å; I346-F367 HydrophobicContact CB-CE1 3.63Å; I346-F367 HydrophobicContact CB-CG 4.31Å; I346-F367 HydrophobicContact CB-CZ 4.15Å; I346-F367 HydrophobicContact CD1-CD2 4.29Å; I346-F367 HydrophobicContact CD1-CE1 4.17Å; I346-F367 HydrophobicContact CD1-CE2 3.84Å; I346-F367 HydrophobicContact CD1-CZ 3.75Å; I346-F367 HydrophobicContact CG1-CE1 4.41Å; I346-F367 HydrophobicContact CG1-CZ 4.45Å; I346-F367 HydrophobicContact CG2-CB 4.06Å; I346-F367 HydrophobicContact CG2-CD1 3.53Å; I346-F367 HydrophobicContact CG2-CD2 4.38Å; I346-F367 HydrophobicContact CG2-CE1 3.99Å; I346-F367 HydrophobicContact CG2-CG 3.74Å; T362-F367 HydrophobicContact CG2-CE2 3.81Å; T362-F367 HydrophobicContact CG2-CZ 4.21Å; N363-F367 WeakPolarHBondContact O-CD2 3.04Å; L364-F367 PolarHBondContact O-N 3.19Å; D365-F367 VanDerWaalsContact C-N 3.28Å; D365-F367 PolarHBondContact O-N 3.01Å; F367-I374 HydrophobicContact CB-CD1 3.95Å | ||
| 368 | K | 96 | Very high | 95.9 | Very high | 125 Ų | 125 | 55.9 Ų | 55.9 | 54% | 0.543 | 30% | 0.301 | S | S | . | . | trans | -117.5 | 125.3 | 176 | -176.8 | 172.6 | -177.4 | 176.7 | 0 | 110.1 | E366 T373 | E366-K368 PolarHBondContact O-N 2.81Å; K368-T373 HydrophobicContact CD-CG2 4.11Å; K368-T373 WeakPolarHBondContact CE-OG1 3.37Å; K368-T373 HydrophobicContact CG-CG2 4.29Å | ||
| 369 | S | 95.2 | Very high | 95.8 | Very high | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | trans | -113 | -169 | -178.3 | 84.9 | 0 | 0 | 0 | 0 | 111.1 | E322 M371 Y372 | E322-S369 WeakPolarHBondContact OE2-CB 3.48Å; E322-S369 PolarHBondContact OE2-OG 2.96Å; S369-M371 PolarHBondContact OG-N 3.24Å; S369-Y372 PolarHBondContact N-O 3.37Å; S369-Y372 WeakPolarHBondContact OG-CB 3.31Å; S369-Y372 PolarHBondContact OG-N 2.77Å | ||
| 370 | Q | 91.4 | Very high | 95.8 | Very high | 132 Ų | 132 | 50.7 Ų | 50.7 | 62% | 0.617 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -68.5 | -44.1 | 175.7 | -64.1 | -176.1 | 2.9 | 0 | 0 | 111 | E322 | E322-Q370 PolarHBondContact OE2-N 3.25Š|
| 371 | M | 93.4 | Very high | 95.8 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -98.3 | -23.7 | -177 | -64.7 | 177.2 | 53.6 | 0 | 0 | 113.9 | K248 E322 S369 | K248-M371 HydrophobicContact CG-SD 3.92Å; E322-M371 WeakPolarHBondContact OE1-CB 3.48Å; E322-M371 WeakPolarHBondContact OE1-CG 3.48Å; E322-M371 PolarHBondContact OE2-N 2.77Å; E322-M371 VanDerWaalsContact OE2-N 3.15Å; S369-M371 PolarHBondContact OG-N 3.24Å |
| 372 | Y | 95.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | trans | -119.4 | 139.2 | -169.4 | -47.9 | -48.7 | 0 | 0 | 0 | 112.5 | H319 Q320 E322 I334 Q336 S369 | H319-Y372 HydrophobicContact CB-CE1 4.36Å; H319-Y372 WeakPolarHBondContact CB-OH 3.35Å; Q320-Y372 WeakPolarHBondContact O-CE2 3.08Å; Q320-Y372 PolarHBondContact O-OH 2.84Å; E322-Y372 HydrophobicContact CB-CD2 4.27Å; E322-Y372 HydrophobicContact CB-CE2 4.31Å; E322-Y372 HydrophobicContact CG-CD2 4.11Å; E322-Y372 HydrophobicContact CG-CE2 3.8Å; I334-Y372 HydrophobicContact CG2-CD2 4.05Å; Q336-Y372 HydrophobicContact CB-CD1 3.7Å; Q336-Y372 HydrophobicContact CB-CE1 3.84Å; Q336-Y372 HydrophobicContact CB-CG 4.23Å; S369-Y372 PolarHBondContact N-O 3.37Å; S369-Y372 WeakPolarHBondContact OG-CB 3.31Å; S369-Y372 PolarHBondContact OG-N 2.77Å | ||
| 373 | T | 94.4 | Very high | 95.8 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | trans | -139.4 | 132.8 | 170.6 | -58.2 | 0 | 0 | 0 | 0 | 108.2 | K368 | K368-T373 HydrophobicContact CD-CG2 4.11Å; K368-T373 WeakPolarHBondContact CE-OG1 3.37Å; K368-T373 HydrophobicContact CG-CG2 4.29Å | ||
| 374 | I | 95.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | trans | -71.5 | 130.7 | 172.4 | -59.6 | -177.5 | 0 | 0 | 0 | 108.4 | I334 W344 I346 L364 F367 F379 L395 V413 | I334-I374 HydrophobicContact CD1-CD1 3.86Å; I334-I374 HydrophobicContact CD1-CG1 3.5Å; I334-I374 VanDerWaalsContact CD1-CG1 3.5Å; W344-I374 HydrophobicContact CD2-CB 4.36Å; W344-I374 HydrophobicContact CD2-CG1 3.93Å; W344-I374 HydrophobicContact CD2-CG2 4.28Å; W344-I374 HydrophobicContact CE3-CB 4.49Å; W344-I374 HydrophobicContact CE3-CG1 4.35Å; W344-I374 HydrophobicContact CE3-CG2 3.91Å; W344-I374 HydrophobicContact CG-CG1 3.98Å; W344-I374 HydrophobicContact CH2-CG2 4.31Å; W344-I374 HydrophobicContact CZ3-CG2 3.94Å; I346-I374 HydrophobicContact CG2-CD1 4.18Å; L364-I374 HydrophobicContact CB-CD1 4.11Å; L364-I374 HydrophobicContact CD2-CD1 3.99Å; F367-I374 HydrophobicContact CB-CD1 3.95Å; I374-F379 HydrophobicContact CG2-CD1 4.27Å; I374-F379 HydrophobicContact CG2-CE1 3.54Å; I374-F379 HydrophobicContact CG2-CE2 4.26Å; I374-F379 HydrophobicContact CG2-CZ 3.53Å; I374-L395 HydrophobicContact CB-CD1 4.13Å; I374-L395 HydrophobicContact CG2-CD1 3.91Å; I374-V413 HydrophobicContact CD1-CG1 4.49Å | ||
| 375 | S | 92.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 54% | 0.538 | 26% | 0.262 | S | S | . | . | trans | -127.7 | 145 | -179.6 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | W344 F379 | W344-S375 VanDerWaalsContact CH2-N 3.34Å; W344-S375 VanDerWaalsContact CH2-O 3.28Å; W344-S375 WeakPolarHBondContact CH2-O 3.45Å; S375-F379 VanDerWaalsContact O-CE1 3.3Å; S375-F379 WeakPolarHBondContact O-CE1 3.34Å; S375-F379 WeakPolarHBondContact O-CZ 3.34Å | ||
| 376 | G | 92.2 | Very high | 95.8 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 117.5 | 170.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F379 | G376-F379 VanDerWaalsContact C-CZ 3.41Å; G376-F379 WeakPolarHBondContact O-CE2 3.36Å; G376-F379 VanDerWaalsContact O-CZ 3.26Å; G376-F379 WeakPolarHBondContact O-CZ 3.5Å |
| 377 | D | 92.1 | Very high | 95.8 | Very high | 137 Ų | 137 | 48.6 Ų | 48.6 | 73% | 0.733 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -102.6 | -37.2 | -171.7 | -61.8 | -37 | 0 | 0 | 0 | 113.3 | G394 L395 | D377-G394 VanDerWaalsContact O-CA 3.26Å; D377-G394 WeakPolarHBondContact O-CA 3.46Å; D377-L395 PolarHBondContact O-N 3.43Å |
| 378 | K | 96.4 | Very high | 95.8 | Very high | 109 Ų | 109 | 53.5 Ų | 53.5 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.5 | -176.3 | -165.9 | 176.7 | -177.6 | 178.8 | 0 | 110.6 | F416 | K378-F416 HydrophobicContact CB-CD2 4.12Å; K378-F416 HydrophobicContact CD-CD2 4.22Å; K378-F416 HydrophobicContact CD-CE2 4.31Å; K378-F416 HydrophobicContact CG-CD2 3.76Å; K378-F416 HydrophobicContact CG-CE2 4.02Å; K378-F416 HydrophobicContact CG-CG 4.46Å; K378-F416 PolarHBondContact O-N 3.16Å |
| 379 | F | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.4 | -173.7 | -53.6 | -92.5 | 0 | 0 | 0 | 111.1 | W344 L364 I374 S375 G376 D392 V393 L395 V413 N414 P415 F416 | W344-F379 HydrophobicContact CZ3-CD1 4.46Å; W344-F379 AromaticContact CZ3-CE1 3.87Å; W344-F379 HydrophobicContact CZ3-CE1 3.87Å; L364-F379 HydrophobicContact CD1-CB 3.72Å; L364-F379 HydrophobicContact CD1-CD1 4.33Å; L364-F379 HydrophobicContact CD1-CD2 3.38Å; L364-F379 HydrophobicContact CD1-CE2 4.07Å; L364-F379 HydrophobicContact CD1-CG 3.54Å; I374-F379 HydrophobicContact CG2-CD1 4.27Å; I374-F379 HydrophobicContact CG2-CE1 3.54Å; I374-F379 HydrophobicContact CG2-CE2 4.26Å; I374-F379 HydrophobicContact CG2-CZ 3.53Å; S375-F379 VanDerWaalsContact O-CE1 3.3Å; S375-F379 WeakPolarHBondContact O-CE1 3.34Å; S375-F379 WeakPolarHBondContact O-CZ 3.34Å; G376-F379 VanDerWaalsContact C-CZ 3.41Å; G376-F379 WeakPolarHBondContact O-CE2 3.36Å; G376-F379 VanDerWaalsContact O-CZ 3.26Å; G376-F379 WeakPolarHBondContact O-CZ 3.5Å; F379-D392 CarbonylContact O-C 3.59Å; F379-D392 WeakPolarHBondContact O-CA 3.2Å; F379-V393 HydrophobicContact CB-CG2 4.5Å; F379-V393 PolarHBondContact N-O 3.05Å; F379-V393 PolarHBondContact O-N 2.91Å; F379-L395 HydrophobicContact CE2-CB 4.02Å; F379-L395 HydrophobicContact CE2-CD1 4.13Å; F379-L395 HydrophobicContact CZ-CD1 4.33Å; F379-V413 HydrophobicContact CB-CG1 3.93Å; F379-V413 HydrophobicContact CD1-CG1 3.65Å; F379-V413 HydrophobicContact CE1-CG1 4.46Å; F379-V413 HydrophobicContact CG-CG1 3.95Å; F379-N414 CarbonylContact C-O 3.56Å; F379-N414 VanDerWaalsContact CA-O 3.27Å; F379-N414 WeakPolarHBondContact CA-O 3.43Å; F379-P415 HydrophobicContact CD1-CB 4.01Å; F379-P415 HydrophobicContact CE1-CB 3.97Å; F379-F416 VanDerWaalsContact C-CE2 3.47Å |
| 380 | E | 97.1 | Very high | 96 | Very high | 58 Ų | 58 | 54.9 Ų | 54.9 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.7 | 163.7 | 178.6 | 178 | 78.4 | 0 | 0 | 108.3 | V382 K389 N414 F416 | E380-V382 HydrophobicContact CG-CG2 4.03Å; E380-K389 HydrophobicContact CG-CD 4.27Å; E380-K389 HydrophobicContact CG-CG 4.1Å; E380-K389 WeakPolarHBondContact OE2-CD 3.5Å; E380-K389 WeakPolarHBondContact OE2-CE 3.44Å; E380-K389 IonicContact OE2-NZ 2.83Å; E380-K389 PolarHBondContact OE2-NZ 2.93Å; E380-N414 HydrophobicContact CB-CB 4.35Å; E380-N414 PolarHBondContact N-O 2.93Å; E380-N414 PolarHBondContact O-N 2.02Å; E380-F416 HydrophobicContact CB-CE2 3.89Å; E380-F416 HydrophobicContact CB-CZ 4.22Å |
| 381 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.9 | 171.5 | -56.8 | -172.9 | 0 | 0 | 0 | 108.9 | L364 F390 N391 V393 F399 F411 R412 V413 | L364-L381 HydrophobicContact CD1-CD2 4.28Å; L364-L381 HydrophobicContact CD2-CD2 4.1Å; L381-F390 HydrophobicContact CB-CB 4.32Å; L381-F390 HydrophobicContact CB-CD1 4.38Å; L381-F390 HydrophobicContact CD1-CD1 4.37Å; L381-F390 WeakPolarHBondContact O-CB 3.46Å; L381-F390 PolarHBondContact O-N 2.7Å; L381-N391 PolarHBondContact N-O 3.16Å; L381-N391 PolarHBondContact O-N 3Å; L381-V393 HydrophobicContact CD1-CG1 4.23Å; L381-V393 HydrophobicContact CD1-CG2 3.85Å; L381-V393 HydrophobicContact CD2-CG2 4.27Å; L381-V393 HydrophobicContact CG-CG2 3.92Å; L381-F399 HydrophobicContact CD1-CD1 4.39Å; L381-F399 HydrophobicContact CD1-CD2 4.06Å; L381-F399 HydrophobicContact CD1-CE1 4.13Å; L381-F399 HydrophobicContact CD1-CE2 3.75Å; L381-F399 HydrophobicContact CD1-CG 4.36Å; L381-F399 HydrophobicContact CD1-CZ 3.81Å; L381-F411 HydrophobicContact CB-CB 4.44Å; L381-F411 HydrophobicContact CB-CD1 4.36Å; L381-F411 HydrophobicContact CB-CG 4.5Å; L381-R412 WeakPolarHBondContact CA-O 3.47Å; L381-V413 HydrophobicContact CD2-CB 4.23Å; L381-V413 HydrophobicContact CD2-CG1 4.02Å; L381-V413 HydrophobicContact CD2-CG2 3.86Å |
| 382 | V | 98.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | E380 V384 G387 D388 F411 R412 | E380-V382 HydrophobicContact CG-CG2 4.03Å; V382-V384 PolarHBondContact O-N 2.9Å; V382-G387 WeakPolarHBondContact CG1-O 3.07Å; V382-D388 CarbonylContact C-O 3.36Å; V382-D388 WeakPolarHBondContact CA-O 3.26Å; V382-D388 WeakPolarHBondContact CG1-O 3.44Å; V382-F411 CarbonylContact O-C 3.57Å; V382-F411 VanDerWaalsContact O-CA 3.25Å; V382-F411 WeakPolarHBondContact O-CA 3.04Å; V382-R412 HydrophobicContact CB-CB 4.25Å; V382-R412 PolarHBondContact N-O 3.39Å; V382-R412 PolarHBondContact O-N 3.25Å |
| 383 | D | 98.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 49.2 Ų | 49.2 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 121.7 | 174.7 | -174.2 | -39.6 | 0 | 0 | 0 | 109.2 | F385 T386 G387 D388 M409 F411 | D383-F385 VanDerWaalsContact C-N 3.3Å; D383-F385 PolarHBondContact O-N 2.81Å; D383-F385 WeakPolarHBondContact OD1-CA 3.46Å; D383-F385 WeakPolarHBondContact OD1-CB 3.24Å; D383-F385 PolarHBondContact OD1-N 3.36Å; D383-T386 PolarHBondContact OD1-N 3.43Å; D383-G387 VanDerWaalsContact O-CA 3.24Å; D383-G387 WeakPolarHBondContact O-CA 3.39Å; D383-G387 PolarHBondContact O-N 2.94Å; D383-D388 PolarHBondContact N-O 3.49Å; D383-M409 VanDerWaalsContact OD2-CE 3.23Å; D383-M409 WeakPolarHBondContact OD2-CE 3.27Å; D383-F411 HydrophobicContact CB-CE1 4.37Å |
| 384 | V | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -26.5 | -176.7 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | N306 H308 L309 I312 V382 M410 R412 | N306-V384 PolarHBondContact ND2-O 2.74Å; H308-V384 HydrophobicContact CB-CG1 4.08Å; H308-V384 VanDerWaalsContact CB-O 3.25Å; H308-V384 WeakPolarHBondContact CB-O 3.41Å; L309-V384 HydrophobicContact CD2-CG1 3.68Å; L309-V384 HydrophobicContact CG-CG1 3.9Å; I312-V384 HydrophobicContact CG1-CG1 3.98Å; I312-V384 HydrophobicContact CG1-CG2 4.46Å; V382-V384 PolarHBondContact O-N 2.9Å; V384-M410 HydrophobicContact CB-CB 3.84Å; V384-M410 HydrophobicContact CG1-CE 4.39Å; V384-M410 HydrophobicContact CG2-CB 3.94Å; V384-M410 PolarHBondContact N-O 3.45Å; V384-R412 HydrophobicContact CG2-CB 4.39Å |
| 385 | F | 98.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.083 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -31.4 | -179.7 | -63.7 | -76 | 0 | 0 | 0 | 112.8 | R274 L303 N306 L309 D383 I408 M410 | R274-F385 HydrophobicContact CB-CD1 4.45Å; R274-F385 HydrophobicContact CB-CE1 3.81Å; R274-F385 HydrophobicContact CB-CZ 4.02Å; R274-F385 HydrophobicContact CG-CD1 4.05Å; R274-F385 HydrophobicContact CG-CE1 3.89Å; R274-F385 HydrophobicContact CG-CZ 4.46Å; L303-F385 HydrophobicContact CD2-CD1 3.92Å; L303-F385 HydrophobicContact CD2-CE1 4.23Å; N306-F385 PolarHBondContact ND2-O 2.86Å; L309-F385 HydrophobicContact CD1-CD1 3.99Å; L309-F385 HydrophobicContact CD1-CE1 4Å; L309-F385 HydrophobicContact CD2-CE1 4.12Å; D383-F385 VanDerWaalsContact C-N 3.3Å; D383-F385 PolarHBondContact O-N 2.81Å; D383-F385 WeakPolarHBondContact OD1-CA 3.46Å; D383-F385 WeakPolarHBondContact OD1-CB 3.24Å; D383-F385 PolarHBondContact OD1-N 3.36Å; F385-I408 HydrophobicContact CE2-CG2 3.86Å; F385-I408 HydrophobicContact CZ-CG2 3.52Å; F385-M410 HydrophobicContact CD2-CB 4.39Å; F385-M410 HydrophobicContact CE2-CB 3.78Å; F385-M410 HydrophobicContact CE2-CG 3.85Å; F385-M410 HydrophobicContact CE2-SD 4.09Å; F385-M410 HydrophobicContact CZ-CB 4.39Å; F385-M410 HydrophobicContact CZ-CG 4.09Å; F385-M410 HydrophobicContact CZ-SD 3.74Å |
| 386 | T | 97.6 | Very high | 97 | Very high | 71 Ų | 71 | 51.7 Ų | 51.7 | 44% | 0.436 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -27 | -179.7 | 75.4 | 0 | 0 | 0 | 0 | 113.6 | D383 D388 | D383-T386 PolarHBondContact OD1-N 3.43Å; T386-D388 VanDerWaalsContact CB-OD2 3.23Å; T386-D388 WeakPolarHBondContact CB-OD2 3.08Å; T386-D388 WeakPolarHBondContact OG1-CB 3.26Å; T386-D388 VanDerWaalsContact OG1-CG 3.31Å; T386-D388 PolarHBondContact OG1-N 3.26Å; T386-D388 VanDerWaalsContact OG1-N 3.11Å; T386-D388 PolarHBondContact OG1-OD2 3.01Å |
| 387 | G | 96.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | trans | 81 | 1.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H308 V382 D383 | H308-G387 WeakPolarHBondContact NE2-CA 2.93Å; V382-G387 WeakPolarHBondContact CG1-O 3.07Å; D383-G387 VanDerWaalsContact O-CA 3.24Å; D383-G387 WeakPolarHBondContact O-CA 3.39Å; D383-G387 PolarHBondContact O-N 2.94Å | ||
| 388 | D | 97.9 | Very high | 97.6 | Very high | 104 Ų | 104 | 53.2 Ų | 53.2 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | trans | -82.9 | 148.1 | -178.9 | -58.2 | -48.1 | 0 | 0 | 0 | 111.2 | V382 D383 T386 F390 | V382-D388 CarbonylContact C-O 3.36Å; V382-D388 WeakPolarHBondContact CA-O 3.26Å; V382-D388 WeakPolarHBondContact CG1-O 3.44Å; D383-D388 PolarHBondContact N-O 3.49Å; T386-D388 VanDerWaalsContact CB-OD2 3.23Å; T386-D388 WeakPolarHBondContact CB-OD2 3.08Å; T386-D388 WeakPolarHBondContact OG1-CB 3.26Å; T386-D388 VanDerWaalsContact OG1-CG 3.31Å; T386-D388 PolarHBondContact OG1-N 3.26Å; T386-D388 VanDerWaalsContact OG1-N 3.11Å; T386-D388 PolarHBondContact OG1-OD2 3.01Å; D388-F390 PolarHBondContact O-N 3.09Å | ||
| 389 | K | 97.7 | Very high | 97.7 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 45% | 0.448 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 121.8 | 168 | -179.2 | 176.1 | -174.6 | 139.2 | 0 | 109.4 | E380 D392 | E380-K389 HydrophobicContact CG-CD 4.27Å; E380-K389 HydrophobicContact CG-CG 4.1Å; E380-K389 WeakPolarHBondContact OE2-CD 3.5Å; E380-K389 WeakPolarHBondContact OE2-CE 3.44Å; E380-K389 IonicContact OE2-NZ 2.83Å; E380-K389 PolarHBondContact OE2-NZ 2.93Å; K389-D392 WeakPolarHBondContact CE-OD1 3.45Å; K389-D392 WeakPolarHBondContact CE-OD2 3.48Å; K389-D392 IonicContact NZ-OD1 3.81Å; K389-D392 PolarHBondContact NZ-OD1 3.2Å; K389-D392 IonicContact NZ-OD2 3.26Å; K389-D392 PolarHBondContact NZ-OD2 2.94Å |
| 390 | F | 97.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 51.5 Ų | 51.5 | 31% | 0.307 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -52.5 | 176 | 179.7 | -101.9 | 0 | 0 | 0 | 111.5 | L381 D388 F399 T400 F411 | L381-F390 HydrophobicContact CB-CB 4.32Å; L381-F390 HydrophobicContact CB-CD1 4.38Å; L381-F390 HydrophobicContact CD1-CD1 4.37Å; L381-F390 WeakPolarHBondContact O-CB 3.46Å; L381-F390 PolarHBondContact O-N 2.7Å; D388-F390 PolarHBondContact O-N 3.09Å; F390-F399 HydrophobicContact CE1-CD2 4.31Å; F390-T400 WeakPolarHBondContact CZ-O 3.23Å; F390-F411 HydrophobicContact CB-CD1 3.97Å; F390-F411 HydrophobicContact CB-CE1 3.64Å; F390-F411 HydrophobicContact CD1-CD1 4.27Å; F390-F411 AromaticContact CD1-CE1 3.63Å; F390-F411 HydrophobicContact CD1-CE1 3.63Å; F390-F411 AromaticContact CD1-CZ 3.88Å; F390-F411 HydrophobicContact CD1-CZ 3.88Å; F390-F411 AromaticContact CD2-CE1 3.65Å; F390-F411 HydrophobicContact CD2-CE1 3.65Å; F390-F411 HydrophobicContact CD2-CZ 4.04Å; F390-F411 HydrophobicContact CE1-CE1 4.17Å; F390-F411 AromaticContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE2-CE1 4.19Å; F390-F411 HydrophobicContact CE2-CZ 4.1Å; F390-F411 HydrophobicContact CG-CD1 4.09Å; F390-F411 AromaticContact CG-CE1 3.34Å; F390-F411 HydrophobicContact CG-CE1 3.34Å; F390-F411 AromaticContact CG-CZ 3.93Å; F390-F411 HydrophobicContact CG-CZ 3.93Å; F390-F411 HydrophobicContact CZ-CE1 4.43Å; F390-F411 HydrophobicContact CZ-CZ 4.06Å |
| 391 | N | 96.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 163.4 | -179.5 | -155.5 | 2.3 | 0 | 0 | 0 | 112.2 | L381 V393 | L381-N391 PolarHBondContact N-O 3.16Å; L381-N391 PolarHBondContact O-N 3Å; N391-V393 HydrophobicContact CB-CG1 4.12Å |
| 392 | D | 97.5 | Very high | 97.7 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 24% | 0.235 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.9 | 160.3 | -72.5 | -24.5 | 0 | 0 | 0 | 108.7 | F379 K389 F416 | F379-D392 CarbonylContact O-C 3.59Å; F379-D392 WeakPolarHBondContact O-CA 3.2Å; K389-D392 WeakPolarHBondContact CE-OD1 3.45Å; K389-D392 WeakPolarHBondContact CE-OD2 3.48Å; K389-D392 IonicContact NZ-OD1 3.81Å; K389-D392 PolarHBondContact NZ-OD1 3.2Å; K389-D392 IonicContact NZ-OD2 3.26Å; K389-D392 PolarHBondContact NZ-OD2 2.94Å; D392-F416 HydrophobicContact CB-CE2 4.39Å; D392-F416 WeakPolarHBondContact OD1-CE2 3.27Å; D392-F416 WeakPolarHBondContact OD1-CZ 3.49Å |
| 393 | V | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.4 | -175.9 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | L364 F379 L381 N391 E397 F399 | L364-V393 HydrophobicContact CD1-CG2 3.65Å; L364-V393 HydrophobicContact CG-CG2 4.1Å; F379-V393 HydrophobicContact CB-CG2 4.5Å; F379-V393 PolarHBondContact N-O 3.05Å; F379-V393 PolarHBondContact O-N 2.91Å; L381-V393 HydrophobicContact CD1-CG1 4.23Å; L381-V393 HydrophobicContact CD1-CG2 3.85Å; L381-V393 HydrophobicContact CD2-CG2 4.27Å; L381-V393 HydrophobicContact CG-CG2 3.92Å; N391-V393 HydrophobicContact CB-CG1 4.12Å; V393-E397 WeakPolarHBondContact CA-OE2 3.29Å; V393-F399 HydrophobicContact CB-CD1 4.33Å; V393-F399 HydrophobicContact CG1-CB 4.07Å; V393-F399 HydrophobicContact CG1-CD1 3.9Å; V393-F399 HydrophobicContact CG1-CG 4.17Å; V393-F399 HydrophobicContact CG2-CD1 4.31Å; V393-F399 HydrophobicContact CG2-CE1 4.34Å |
| 394 | G | 97.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 161.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D377 K396 E397 | D377-G394 VanDerWaalsContact O-CA 3.26Å; D377-G394 WeakPolarHBondContact O-CA 3.46Å; G394-K396 VanDerWaalsContact C-N 3.27Å; G394-K396 PolarHBondContact O-N 3.06Å; G394-E397 PolarHBondContact N-OE2 2.99Å; G394-E397 PolarHBondContact O-N 3.19Å; G394-E397 VanDerWaalsContact O-N 3.15Å |
| 395 | L | 97 | Very high | 97.7 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -42.8 | 179.9 | -175.8 | 61.6 | 0 | 0 | 0 | 113.1 | L364 D365 I374 D377 F379 | L364-L395 CarbonylContact C-O 3.59Å; L364-L395 HydrophobicContact CB-CD1 3.91Å; L364-L395 PolarHBondContact N-O 2.81Å; L364-L395 VanDerWaalsContact N-O 3.11Å; D365-L395 HydrophobicContact CB-CG 4.16Å; D365-L395 PolarHBondContact N-O 2.85Å; I374-L395 HydrophobicContact CB-CD1 4.13Å; I374-L395 HydrophobicContact CG2-CD1 3.91Å; D377-L395 PolarHBondContact O-N 3.43Å; F379-L395 HydrophobicContact CE2-CB 4.02Å; F379-L395 HydrophobicContact CE2-CD1 4.13Å; F379-L395 HydrophobicContact CZ-CD1 4.33Å |
| 396 | K | 97.5 | Very high | 97.7 | Very high | 150 Ų | 150 | 53.8 Ų | 53.8 | 65% | 0.652 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 5.4 | -178.3 | -64.4 | -177.4 | 177.2 | -178.4 | 0 | 113.5 | D365 G394 | D365-K396 HydrophobicContact CB-CG 3.95Å; D365-K396 WeakPolarHBondContact OD2-CE 3.37Å; G394-K396 VanDerWaalsContact C-N 3.27Å; G394-K396 PolarHBondContact O-N 3.06Å |
| 397 | E | 98 | Very high | 97.7 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | trans | -77.3 | 128.7 | 178.7 | -174.4 | 177.7 | 178.3 | 0 | 0 | 109.8 | N363 V393 G394 | N363-E397 WeakPolarHBondContact CB-O 3.44Å; V393-E397 WeakPolarHBondContact CA-OE2 3.29Å; G394-E397 PolarHBondContact N-OE2 2.99Å; G394-E397 PolarHBondContact O-N 3.19Å; G394-E397 VanDerWaalsContact O-N 3.15Å | ||
| 398 | N | 98.3 | Very high | 97.8 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | trans | -76.1 | 138.1 | 178.7 | -72.9 | -26.4 | 0 | 0 | 0 | 110.8 | T361 T362 N363 | T361-N398 HydrophobicContact CG2-CB 4Å; T362-N398 CarbonylContact O-C 3.35Å; T362-N398 VanDerWaalsContact O-CA 3.27Å; T362-N398 WeakPolarHBondContact O-CA 3.39Å; N363-N398 PolarHBondContact ND2-OD1 3.33Å | ||
| 399 | F | 98.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 155.1 | 170.9 | 58 | -85.8 | 0 | 0 | 0 | 110.2 | I346 T361 T362 L364 L381 F390 V393 I401 | I346-F399 HydrophobicContact CD1-CZ 4.35Å; T361-F399 WeakPolarHBondContact CA-O 3.08Å; T362-F399 HydrophobicContact CG2-CE2 4.06Å; T362-F399 HydrophobicContact CG2-CZ 3.95Å; T362-F399 PolarHBondContact N-O 3.4Å; T362-F399 WeakPolarHBondContact O-CD1 3.34Å; T362-F399 PolarHBondContact O-N 3.11Å; L364-F399 HydrophobicContact CD2-CE1 4.16Å; L364-F399 HydrophobicContact CD2-CZ 4.07Å; L364-F399 HydrophobicContact CG-CE1 4.08Å; L364-F399 HydrophobicContact CG-CZ 4.49Å; L381-F399 HydrophobicContact CD1-CD1 4.39Å; L381-F399 HydrophobicContact CD1-CD2 4.06Å; L381-F399 HydrophobicContact CD1-CE1 4.13Å; L381-F399 HydrophobicContact CD1-CE2 3.75Å; L381-F399 HydrophobicContact CD1-CG 4.36Å; L381-F399 HydrophobicContact CD1-CZ 3.81Å; F390-F399 HydrophobicContact CE1-CD2 4.31Å; V393-F399 HydrophobicContact CB-CD1 4.33Å; V393-F399 HydrophobicContact CG1-CB 4.07Å; V393-F399 HydrophobicContact CG1-CD1 3.9Å; V393-F399 HydrophobicContact CG1-CG 4.17Å; V393-F399 HydrophobicContact CG2-CD1 4.31Å; V393-F399 HydrophobicContact CG2-CE1 4.34Å; F399-I401 HydrophobicContact CD2-CD1 4.28Å; F399-I401 HydrophobicContact CD2-CG1 3.89Å; F399-I401 HydrophobicContact CE2-CD1 3.75Å; F399-I401 HydrophobicContact CE2-CG1 3.87Å |
| 400 | T | 98.3 | Very high | 97.9 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 41% | 0.411 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.3 | -175 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | N359 T361 F390 | N359-T400 HydrophobicContact CB-CG2 3.62Å; T361-T400 PolarHBondContact OG1-OG1 2.96Å; F390-T400 WeakPolarHBondContact CZ-O 3.23Å |
| 401 | I | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119 | -176.4 | -53.2 | 166.2 | 0 | 0 | 0 | 108.6 | C348 F360 T362 F399 I403 M409 F411 | C348-I401 HydrophobicContact CB-CD1 4.49Å; F360-I401 HydrophobicContact CD1-CD1 4.27Å; F360-I401 PolarHBondContact N-O 3.05Å; F360-I401 PolarHBondContact O-N 2.93Å; T362-I401 HydrophobicContact CG2-CD1 4.02Å; F399-I401 HydrophobicContact CD2-CD1 4.28Å; F399-I401 HydrophobicContact CD2-CG1 3.89Å; F399-I401 HydrophobicContact CE2-CD1 3.75Å; F399-I401 HydrophobicContact CE2-CG1 3.87Å; I401-I403 HydrophobicContact CB-CG1 4.36Å; I401-I403 HydrophobicContact CG2-CD1 4.05Å; I401-I403 HydrophobicContact CG2-CG1 3.71Å; I401-M409 HydrophobicContact CG2-CB 3.46Å; I401-M409 VanDerWaalsContact CG2-CB 3.46Å; I401-M409 HydrophobicContact CG2-CG 3.44Å; I401-M409 VanDerWaalsContact CG2-CG 3.44Å; I401-F411 HydrophobicContact CD1-CE2 3.86Å; I401-F411 HydrophobicContact CG1-CE2 3.93Å; I401-F411 HydrophobicContact CG1-CZ 4.39Å; I401-F411 HydrophobicContact CG2-CE2 4.01Å; I401-F411 HydrophobicContact CG2-CZ 4.12Å |
| 402 | P | 97.2 | Very high | 98 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 43% | 0.429 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.6 | 170.8 | 30.5 | -31.7 | 0 | 0 | 0 | 110.1 | I358 M409 | I358-P402 CarbonylContact O-C 3.4Å; I358-P402 WeakPolarHBondContact O-CA 3.45Å; P402-M409 WeakPolarHBondContact O-CG 3.08Å |
| 403 | I | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.6 | -178.9 | -43.2 | 177.6 | 0 | 0 | 0 | 110.1 | V330 C348 P357 I358 F360 I401 M409 | V330-I403 HydrophobicContact CG1-CD1 4.23Å; V330-I403 HydrophobicContact CG2-CD1 4.43Å; C348-I403 HydrophobicContact CB-CD1 3.6Å; P357-I403 CarbonylContact C-O 3.51Å; P357-I403 WeakPolarHBondContact CA-O 3.48Å; I358-I403 HydrophobicContact CG1-CB 4.27Å; I358-I403 PolarHBondContact N-O 3.1Å; I358-I403 PolarHBondContact O-N 3.03Å; F360-I403 HydrophobicContact CB-CD1 4.04Å; I401-I403 HydrophobicContact CB-CG1 4.36Å; I401-I403 HydrophobicContact CG2-CD1 4.05Å; I401-I403 HydrophobicContact CG2-CG1 3.71Å; I403-M409 HydrophobicContact CG1-CB 4.48Å; I403-M409 HydrophobicContact CG1-CG 3.94Å |
| 404 | N | 98.1 | Very high | 97.9 | Very high | 66 Ų | 66 | 34.9 Ų | 34.9 | 35% | 0.353 | 18% | 0.184 | S | C | . | . | trans | -74 | 155 | 174.3 | -69.3 | -19 | 0 | 0 | 0 | 111.8 | D271 Y350 P357 S406 G407 | D271-N404 PolarHBondContact OD1-ND2 3.01Å; D271-N404 PolarHBondContact OD2-ND2 2.87Å; Y350-N404 WeakPolarHBondContact CD1-O 3.27Å; P357-N404 WeakPolarHBondContact CG-OD1 3.16Å; N404-S406 PolarHBondContact O-N 3.09Å; N404-G407 VanDerWaalsContact O-CA 3.3Å; N404-G407 WeakPolarHBondContact O-CA 3.47Å; N404-G407 PolarHBondContact O-N 2.81Å | ||
| 405 | P | 98.1 | Very high | 97.7 | Very high | 23 Ų | 23 | 36 Ų | 36 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 135.6 | 170.2 | -24.3 | 33.5 | 0 | 0 | 0 | 111.9 | Y350 R352 G355 G407 | Y350-P405 HydrophobicContact CE1-CB 4.34Å; Y350-P405 HydrophobicContact CE1-CG 4.2Å; R352-P405 CarbonylContact O-C 3.55Å; R352-P405 VanDerWaalsContact O-CA 3.31Å; R352-P405 WeakPolarHBondContact O-CA 3.49Å; R352-P405 WeakPolarHBondContact O-CB 3.17Å; G355-P405 WeakPolarHBondContact O-CG 3.15Å; P405-G407 PolarHBondContact O-N 2.94Å; P405-G407 VanDerWaalsContact O-N 3.12Å |
| 406 | S | 97.9 | Very high | 97.3 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 27.2 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | D271 Q272 V275 Y350 R352 N404 | D271-S406 CarbonylContact C-O 3.58Å; Q272-S406 PolarHBondContact N-O 2.98Å; Q272-S406 PolarHBondContact NE2-OG 2.96Å; V275-S406 VanDerWaalsContact CG2-O 3.23Å; V275-S406 WeakPolarHBondContact CG2-O 3.38Å; Y350-S406 VanDerWaalsContact O-CA 3.28Å; Y350-S406 WeakPolarHBondContact O-CA 3.42Å; Y350-S406 PolarHBondContact O-N 3.4Å; Y350-S406 VanDerWaalsContact O-N 3.17Å; R352-S406 PolarHBondContact O-N 2.77Å; N404-S406 PolarHBondContact O-N 3.09Å |
| 407 | G | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | trans | -107 | 171.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y350 N404 P405 | Y350-G407 PolarHBondContact N-O 2.84Å; N404-G407 VanDerWaalsContact O-CA 3.3Å; N404-G407 WeakPolarHBondContact O-CA 3.47Å; N404-G407 PolarHBondContact O-N 2.81Å; P405-G407 PolarHBondContact O-N 2.94Å; P405-G407 VanDerWaalsContact O-N 3.12Å | ||
| 408 | I | 98.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144.6 | 179.9 | -175.9 | 175 | 0 | 0 | 0 | 109.3 | R274 V275 M279 A347 C348 V349 F385 M410 | R274-I408 VanDerWaalsContact C-CG2 3.47Å; R274-I408 HydrophobicContact CB-CG2 3.71Å; V275-I408 HydrophobicContact CB-CG2 4.32Å; V275-I408 HydrophobicContact CG2-CB 3.83Å; V275-I408 HydrophobicContact CG2-CG2 3.87Å; M279-I408 HydrophobicContact CG-CD1 4.12Å; M279-I408 HydrophobicContact SD-CD1 3.84Å; A347-I408 HydrophobicContact CB-CD1 4.1Å; A347-I408 HydrophobicContact CB-CG1 4.46Å; C348-I408 VanDerWaalsContact O-CA 3.3Å; C348-I408 WeakPolarHBondContact O-CA 3.38Å; V349-I408 HydrophobicContact CG2-CB 4.21Å; V349-I408 HydrophobicContact CG2-CD1 3.76Å; V349-I408 HydrophobicContact CG2-CG1 3.8Å; F385-I408 HydrophobicContact CE2-CG2 3.86Å; F385-I408 HydrophobicContact CZ-CG2 3.52Å; I408-M410 HydrophobicContact CD1-CG 3.57Å; I408-M410 HydrophobicContact CD1-SD 3.71Å; I408-M410 HydrophobicContact CG1-CG 3.84Å |
| 409 | M | 98.6 | Very high | 91 | Very high | 23 Ų | 23 | 41.4 Ų | 41.4 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.5 | 159.6 | -68.2 | -61.5 | -65.7 | 0 | 0 | 108.9 | A347 C348 D383 I401 P402 I403 F411 | A347-M409 WeakPolarHBondContact CA-O 3.35Å; C348-M409 PolarHBondContact N-O 3.13Å; C348-M409 PolarHBondContact O-N 3.34Å; D383-M409 VanDerWaalsContact OD2-CE 3.23Å; D383-M409 WeakPolarHBondContact OD2-CE 3.27Å; I401-M409 HydrophobicContact CG2-CB 3.46Å; I401-M409 VanDerWaalsContact CG2-CB 3.46Å; I401-M409 HydrophobicContact CG2-CG 3.44Å; I401-M409 VanDerWaalsContact CG2-CG 3.44Å; P402-M409 WeakPolarHBondContact O-CG 3.08Å; I403-M409 HydrophobicContact CG1-CB 4.48Å; I403-M409 HydrophobicContact CG1-CG 3.94Å; M409-F411 HydrophobicContact CB-CE2 4.09Å; M409-F411 HydrophobicContact CB-CZ 4.2Å; M409-F411 HydrophobicContact CE-CE1 4.22Å; M409-F411 HydrophobicContact CE-CZ 3.9Å |
| 410 | M | 98.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.2 | 179.9 | -73.7 | 179.1 | 66.1 | 0 | 0 | 109.6 | G278 M282 L309 I346 A347 V384 F385 I408 | G278-M410 WeakPolarHBondContact CA-SD 2.99Å; M282-M410 HydrophobicContact CG-CE 3.61Å; M282-M410 HydrophobicContact CG-SD 4.45Å; M282-M410 HydrophobicContact SD-CE 3.78Å; L309-M410 HydrophobicContact CD2-CE 4.14Å; L309-M410 HydrophobicContact CD2-SD 4.07Å; I346-M410 VanDerWaalsContact O-CA 3.31Å; I346-M410 WeakPolarHBondContact O-CA 3.28Å; A347-M410 HydrophobicContact CB-CG 3.89Å; V384-M410 HydrophobicContact CB-CB 3.84Å; V384-M410 HydrophobicContact CG1-CE 4.39Å; V384-M410 HydrophobicContact CG2-CB 3.94Å; V384-M410 PolarHBondContact N-O 3.45Å; F385-M410 HydrophobicContact CD2-CB 4.39Å; F385-M410 HydrophobicContact CE2-CB 3.78Å; F385-M410 HydrophobicContact CE2-CG 3.85Å; F385-M410 HydrophobicContact CE2-SD 4.09Å; F385-M410 HydrophobicContact CZ-CB 4.39Å; F385-M410 HydrophobicContact CZ-CG 4.09Å; F385-M410 HydrophobicContact CZ-SD 3.74Å; I408-M410 HydrophobicContact CD1-CG 3.57Å; I408-M410 HydrophobicContact CD1-SD 3.71Å; I408-M410 HydrophobicContact CG1-CG 3.84Å |
| 411 | F | 98.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.5 | 177.2 | -57.2 | -72.6 | 0 | 0 | 0 | 111 | A345 I346 L381 V382 D383 F390 I401 M409 | A345-F411 VanDerWaalsContact CA-O 3.29Å; A345-F411 WeakPolarHBondContact CA-O 3.48Å; I346-F411 HydrophobicContact CD1-CB 4.28Å; I346-F411 HydrophobicContact CD1-CD2 4.09Å; I346-F411 HydrophobicContact CG1-CB 3.86Å; I346-F411 HydrophobicContact CG1-CD2 4.19Å; I346-F411 PolarHBondContact N-O 2.97Å; I346-F411 PolarHBondContact O-N 2.77Å; L381-F411 HydrophobicContact CB-CB 4.44Å; L381-F411 HydrophobicContact CB-CD1 4.36Å; L381-F411 HydrophobicContact CB-CG 4.5Å; V382-F411 CarbonylContact O-C 3.57Å; V382-F411 VanDerWaalsContact O-CA 3.25Å; V382-F411 WeakPolarHBondContact O-CA 3.04Å; D383-F411 HydrophobicContact CB-CE1 4.37Å; F390-F411 HydrophobicContact CB-CD1 3.97Å; F390-F411 HydrophobicContact CB-CE1 3.64Å; F390-F411 HydrophobicContact CD1-CD1 4.27Å; F390-F411 AromaticContact CD1-CE1 3.63Å; F390-F411 HydrophobicContact CD1-CE1 3.63Å; F390-F411 AromaticContact CD1-CZ 3.88Å; F390-F411 HydrophobicContact CD1-CZ 3.88Å; F390-F411 AromaticContact CD2-CE1 3.65Å; F390-F411 HydrophobicContact CD2-CE1 3.65Å; F390-F411 HydrophobicContact CD2-CZ 4.04Å; F390-F411 HydrophobicContact CE1-CE1 4.17Å; F390-F411 AromaticContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE1-CZ 3.95Å; F390-F411 HydrophobicContact CE2-CE1 4.19Å; F390-F411 HydrophobicContact CE2-CZ 4.1Å; F390-F411 HydrophobicContact CG-CD1 4.09Å; F390-F411 AromaticContact CG-CE1 3.34Å; F390-F411 HydrophobicContact CG-CE1 3.34Å; F390-F411 AromaticContact CG-CZ 3.93Å; F390-F411 HydrophobicContact CG-CZ 3.93Å; F390-F411 HydrophobicContact CZ-CE1 4.43Å; F390-F411 HydrophobicContact CZ-CZ 4.06Å; I401-F411 HydrophobicContact CD1-CE2 3.86Å; I401-F411 HydrophobicContact CG1-CE2 3.93Å; I401-F411 HydrophobicContact CG1-CZ 4.39Å; I401-F411 HydrophobicContact CG2-CE2 4.01Å; I401-F411 HydrophobicContact CG2-CZ 4.12Å; M409-F411 HydrophobicContact CB-CE2 4.09Å; M409-F411 HydrophobicContact CB-CZ 4.2Å; M409-F411 HydrophobicContact CE-CE1 4.22Å; M409-F411 HydrophobicContact CE-CZ 3.9Å |
| 412 | R | 97.9 | Very high | 81.8 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.6 | 157.2 | -171.7 | 72.2 | 163.4 | 106.7 | -10.4 | 107.2 | L337 D339 P341 W344 L381 V382 V384 N414 | L337-R412 VanDerWaalsContact CD1-NH1 3.29Å; D339-R412 PolarHBondContact O-NH2 2.77Å; P341-R412 VanDerWaalsContact O-CZ 3.3Å; P341-R412 PolarHBondContact O-NH2 3.08Å; W344-R412 VanDerWaalsContact N-NH1 3.18Å; W344-R412 PolarHBondContact O-NH1 2.94Å; L381-R412 WeakPolarHBondContact CA-O 3.47Å; V382-R412 HydrophobicContact CB-CB 4.25Å; V382-R412 PolarHBondContact N-O 3.39Å; V382-R412 PolarHBondContact O-N 3.25Å; V384-R412 HydrophobicContact CG2-CB 4.39Å; R412-N414 WeakPolarHBondContact CG-OD1 3.15Å |
| 413 | V | 97.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 102.8 | 176.9 | -172.6 | 0 | 0 | 0 | 0 | 107.9 | W344 I346 L364 I374 F379 L381 | W344-V413 HydrophobicContact CB-CB 4.21Å; W344-V413 HydrophobicContact CE3-CB 4.46Å; W344-V413 HydrophobicContact CE3-CG1 4.28Å; W344-V413 PolarHBondContact N-O 3.25Å; W344-V413 PolarHBondContact O-N 3.35Å; I346-V413 HydrophobicContact CB-CG2 4.47Å; I346-V413 HydrophobicContact CD1-CG2 4.09Å; I346-V413 HydrophobicContact CG1-CG2 3.82Å; I346-V413 HydrophobicContact CG2-CG2 3.97Å; L364-V413 HydrophobicContact CD1-CG1 3.84Å; L364-V413 HydrophobicContact CD2-CG1 4.21Å; L364-V413 HydrophobicContact CD2-CG2 4.1Å; I374-V413 HydrophobicContact CD1-CG1 4.49Å; F379-V413 HydrophobicContact CB-CG1 3.93Å; F379-V413 HydrophobicContact CD1-CG1 3.65Å; F379-V413 HydrophobicContact CE1-CG1 4.46Å; F379-V413 HydrophobicContact CG-CG1 3.95Å; L381-V413 HydrophobicContact CD2-CB 4.23Å; L381-V413 HydrophobicContact CD2-CG1 4.02Å; L381-V413 HydrophobicContact CD2-CG2 3.86Å |
| 414 | N | 95.1 | Very high | 77.8 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 113.1 | -179.6 | -64.4 | -33.6 | 0 | 0 | 0 | 108.9 | P341 F379 E380 R412 F416 | P341-N414 HydrophobicContact CG-CB 4.48Å; P341-N414 WeakPolarHBondContact CG-OD1 3.24Å; F379-N414 CarbonylContact C-O 3.56Å; F379-N414 VanDerWaalsContact CA-O 3.27Å; F379-N414 WeakPolarHBondContact CA-O 3.43Å; E380-N414 HydrophobicContact CB-CB 4.35Å; E380-N414 PolarHBondContact N-O 2.93Å; E380-N414 PolarHBondContact O-N 2.02Å; R412-N414 WeakPolarHBondContact CG-OD1 3.15Å; N414-F416 PolarHBondContact O-N 2.04Å |
| 415 | P | 93.3 | Very high | 76.8 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 26% | 0.26 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 132.6 | 171.2 | 25.7 | -30.9 | 0 | 0 | 0 | 108.9 | V342 W344 F379 K417 | V342-P415 VanDerWaalsContact O-CD 3.3Å; V342-P415 WeakPolarHBondContact O-CD 3.46Å; V342-P415 WeakPolarHBondContact O-CG 3.37Å; W344-P415 HydrophobicContact CZ3-CB 4.45Å; W344-P415 HydrophobicContact CZ3-CG 4.18Å; F379-P415 HydrophobicContact CD1-CB 4.01Å; F379-P415 HydrophobicContact CE1-CB 3.97Å; P415-K417 PolarHBondContact O-N 2.62Å |
| 416 | F | 89.6 | Confident | 75.6 | Confident | 89 Ų | 89 | 72.3 Ų | 72.3 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | trans | -60.4 | 114.9 | 165.8 | -83 | -96.4 | 0 | 0 | 0 | 106.5 | K378 F379 E380 D392 N414 L418 | K378-F416 HydrophobicContact CB-CD2 4.12Å; K378-F416 HydrophobicContact CD-CD2 4.22Å; K378-F416 HydrophobicContact CD-CE2 4.31Å; K378-F416 HydrophobicContact CG-CD2 3.76Å; K378-F416 HydrophobicContact CG-CE2 4.02Å; K378-F416 HydrophobicContact CG-CG 4.46Å; K378-F416 PolarHBondContact O-N 3.16Å; F379-F416 VanDerWaalsContact C-CE2 3.47Å; E380-F416 HydrophobicContact CB-CE2 3.89Å; E380-F416 HydrophobicContact CB-CZ 4.22Å; D392-F416 HydrophobicContact CB-CE2 4.39Å; D392-F416 WeakPolarHBondContact OD1-CE2 3.27Å; D392-F416 WeakPolarHBondContact OD1-CZ 3.49Å; N414-F416 PolarHBondContact O-N 2.04Å; F416-L418 PolarHBondContact O-N 3.24Å | ||
| 417 | K | 71 | Confident | 74.3 | Confident | 170 Ų | 170 | 76.1 Ų | 76.1 | 74% | 0.739 | 39% | 0.385 | S | S | * | . | trans | -56.6 | 121.5 | 169 | -76.7 | -173.9 | 177.8 | -178.9 | 0 | 106 | P415 V419 | P415-K417 PolarHBondContact O-N 2.62Å; K417-V419 VanDerWaalsContact C-N 3.26Å; K417-V419 PolarHBondContact O-N 3.26Å | ||
| 418 | L | 50.2 | Low | 72.8 | Confident | 116 Ų | 116 | 80.8 Ų | 80.8 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | trans | -52.8 | 103.6 | 162.6 | -79.4 | 159.8 | 0 | 0 | 0 | 105.2 | F416 Y420 | F416-L418 PolarHBondContact O-N 3.24Å; L418-Y420 HydrophobicContact CB-CD2 3.88Å; L418-Y420 HydrophobicContact CB-CE2 3.72Å; L418-Y420 HydrophobicContact CD1-CE2 3.97Å; L418-Y420 HydrophobicContact CG-CE2 4.46Å; L418-Y420 PolarHBondContact O-N 2.94Å | ||
| 419 | V | 39.9 | Very low | 71 | Confident | 130 Ų | 130 | 85.9 Ų | 85.9 | 79% | 0.788 | 43% | 0.434 | S | S | * | . | trans | -64 | 88.2 | 159 | -179.3 | 0 | 0 | 0 | 0 | 102.5 | K417 S421 | K417-V419 VanDerWaalsContact C-N 3.26Å; K417-V419 PolarHBondContact O-N 3.26Å; V419-S421 PolarHBondContact O-N 3.14Å | ||
| 420 | Y | 37 | Very low | 69.1 | Low | 188 Ų | 188 | 90.4 Ų | 90.4 | 74% | 0.737 | 46% | 0.457 | S | S | * | . | trans | -63.8 | 90.1 | 158.1 | -75.8 | -77.9 | 0 | 0 | 0 | 103.8 | L418 V422 | L418-Y420 HydrophobicContact CB-CD2 3.88Å; L418-Y420 HydrophobicContact CB-CE2 3.72Å; L418-Y420 HydrophobicContact CD1-CE2 3.97Å; L418-Y420 HydrophobicContact CG-CE2 4.46Å; L418-Y420 PolarHBondContact O-N 2.94Å; Y420-V422 PolarHBondContact O-N 3.42Å | ||
| 421 | S | 30.8 | Very low | 66.8 | Low | 84 Ų | 84 | 97.4 Ų | 97.4 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | trans | -54.8 | 102.7 | 156.8 | 46.9 | 0 | 0 | 0 | 0 | 104.7 | V419 Q423 | V419-S421 PolarHBondContact O-N 3.14Å; S421-Q423 PolarHBondContact O-N 3.36Å | ||
| 422 | V | 33.4 | Very low | 64.1 | Low | 145 Ų | 145 | 105.4 Ų | 105.4 | 88% | 0.879 | 53% | 0.533 | S | S | * | . | trans | -62.4 | 96.2 | 160.1 | -176.2 | 0 | 0 | 0 | 0 | 104.1 | Y420 | Y420-V422 PolarHBondContact O-N 3.42Š| ||
| 423 | Q | 33.7 | Very low | 61.1 | Low | 247 Ų | 247 | 112.1 Ų | 112.1 | 100% | 1.154 | 57% | 0.57 | S | S | * | * | trans | -86.7 | 0 | 166.8 | -97.5 | -174.9 | -21.4 | 0 | 0 | 109.1 | S421 | S421-Q423 PolarHBondContact O-N 3.36Š|
Retrieved 423 of 423 residues in 486.9 ms
(Link to these results)