| 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 | 36.6 | Very low | 39 | Very low | 138 Ų | 138 | 105.7 Ų | 105.7 | 68% | 0.68 | 48% | 0.475 | S | S | * | . | 0 | -53.1 | 0 | -137.8 | 179.4 | -73.4 | 0 | 0 | 111 | E3 A4 F5 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.41Å; M1-A4 WeakPolarHBondContact O-CB 3.11Å; M1-A4 PolarHBondContact O-N 3.48Å; M1-F5 HydrophobicContact CG-CE2 4.32Å; M1-F5 PolarHBondContact O-N 3.17Å | |||
| 2 | E | 35.1 | Very low | 39.7 | Very low | 100 Ų | 100 | 99.6 Ų | 99.6 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -45.2 | -48.7 | 174.9 | -57.5 | 175.6 | 108.1 | 0 | 0 | 114.1 | A4 F5 K6 R1085 | E2-A4 VanDerWaalsContact C-N 3.25Å; E2-A4 PolarHBondContact O-N 3.47Å; E2-F5 CarbonylContact O-C 3.03Å; E2-F5 WeakPolarHBondContact O-CA 3.18Å; E2-F5 WeakPolarHBondContact O-CB 3.29Å; E2-F5 PolarHBondContact O-N 2.83Å; E2-K6 PolarHBondContact O-N 2.57Å; E2-R1085 IonicContact OE2-CZ 3.52Å; E2-R1085 IonicContact OE2-NH1 2.66Å; E2-R1085 PolarHBondContact OE2-NH1 2.84Å; E2-R1085 IonicContact OE2-NH2 2.7Å; E2-R1085 PolarHBondContact OE2-NH2 3.32Å |
| 3 | E | 33.9 | Very low | 41.6 | Very low | 119 Ų | 119 | 93.3 Ų | 93.3 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -49.5 | -45.9 | 176.4 | -77.5 | -131.1 | 114.8 | 0 | 0 | 112.5 | M1 F5 K6 W7 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.41Å; E3-F5 VanDerWaalsContact C-N 3.29Å; E3-F5 PolarHBondContact O-N 2.73Å; E3-K6 PolarHBondContact O-N 2.93Å; E3-W7 WeakPolarHBondContact O-CB 3.49Å; E3-W7 PolarHBondContact O-N 3.42Å |
| 4 | A | 32.5 | Very low | 43 | Very low | 58 Ų | 58 | 90 Ų | 90 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.3 | -29.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 E2 K8 | M1-A4 WeakPolarHBondContact O-CB 3.11Å; M1-A4 PolarHBondContact O-N 3.48Å; E2-A4 VanDerWaalsContact C-N 3.25Å; E2-A4 PolarHBondContact O-N 3.47Å; A4-K8 WeakPolarHBondContact O-CB 3.47Å; A4-K8 VanDerWaalsContact O-CG 3.26Å; A4-K8 WeakPolarHBondContact O-CG 3.36Å; A4-K8 PolarHBondContact O-N 3.31Å |
| 5 | F | 40.7 | Very low | 44.9 | Very low | 54 Ų | 54 | 93.9 Ų | 93.9 | 24% | 0.237 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -73.2 | -42 | 170.6 | -76.4 | -81.6 | 0 | 0 | 0 | 112 | M1 E2 E3 W7 K8 R9 P50 E53 | M1-F5 HydrophobicContact CG-CE2 4.32Å; M1-F5 PolarHBondContact O-N 3.17Å; E2-F5 CarbonylContact O-C 3.03Å; E2-F5 WeakPolarHBondContact O-CA 3.18Å; E2-F5 WeakPolarHBondContact O-CB 3.29Å; E2-F5 PolarHBondContact O-N 2.83Å; E3-F5 VanDerWaalsContact C-N 3.29Å; E3-F5 PolarHBondContact O-N 2.73Å; F5-W7 VanDerWaalsContact C-N 3.33Å; F5-W7 PolarHBondContact O-N 2.85Å; F5-K8 HydrophobicContact CD1-CD 4.39Å; F5-K8 WeakPolarHBondContact O-CB 3.22Å; F5-K8 PolarHBondContact O-N 3.24Å; F5-R9 PolarHBondContact O-N 3.45Å; F5-P50 HydrophobicContact CD1-CB 4.32Å; F5-P50 HydrophobicContact CD1-CG 4.06Å; F5-P50 HydrophobicContact CE1-CB 4.12Å; F5-P50 HydrophobicContact CE1-CG 4.32Å; F5-E53 HydrophobicContact CZ-CG 4.45Å |
| 6 | K | 38.4 | Very low | 47.4 | Very low | 89 Ų | 89 | 88.7 Ų | 88.7 | 39% | 0.387 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 172.6 | -63.7 | -173.5 | -173.4 | -173.4 | 0 | 111.7 | E2 E3 R9 K10 N170 | E2-K6 PolarHBondContact O-N 2.57Å; E3-K6 PolarHBondContact O-N 2.93Å; K6-R9 VanDerWaalsContact O-CB 3.27Å; K6-R9 WeakPolarHBondContact O-CB 3.42Å; K6-R9 PolarHBondContact O-N 3.43Å; K6-K10 PolarHBondContact O-N 3.16Å; K6-N170 WeakPolarHBondContact CE-OD1 3.43Å; K6-N170 PolarHBondContact NZ-OD1 3.01Å |
| 7 | W | 31.6 | Very low | 49.8 | Very low | 163 Ų | 163 | 87.1 Ų | 87.1 | 62% | 0.617 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70.2 | -37.9 | 176.3 | -134.4 | 87.4 | 0 | 0 | 0 | 112.7 | E3 F5 R9 K10 R11 | E3-W7 WeakPolarHBondContact O-CB 3.49Å; E3-W7 PolarHBondContact O-N 3.42Å; F5-W7 VanDerWaalsContact C-N 3.33Å; F5-W7 PolarHBondContact O-N 2.85Å; W7-R9 VanDerWaalsContact C-N 3.33Å; W7-K10 PolarHBondContact O-N 3.19Å; W7-R11 VanDerWaalsContact CH2-NH1 3.33Å; W7-R11 PolarHBondContact O-N 3.37Å |
| 8 | K | 37.4 | Very low | 52 | Low | 94 Ų | 94 | 82.3 Ų | 82.3 | 41% | 0.409 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.7 | -48.6 | 167.6 | -82.3 | 173.9 | 179.7 | -179.2 | 0 | 110.1 | A4 F5 R11 A12 | A4-K8 WeakPolarHBondContact O-CB 3.47Å; A4-K8 VanDerWaalsContact O-CG 3.26Å; A4-K8 WeakPolarHBondContact O-CG 3.36Å; A4-K8 PolarHBondContact O-N 3.31Å; F5-K8 HydrophobicContact CD1-CD 4.39Å; F5-K8 WeakPolarHBondContact O-CB 3.22Å; F5-K8 PolarHBondContact O-N 3.24Å; K8-R11 PolarHBondContact O-N 2.84Å; K8-A12 WeakPolarHBondContact O-CB 3.39Å; K8-A12 PolarHBondContact O-N 3.38Å |
| 9 | R | 47.6 | Very low | 53.8 | Low | 43 Ų | 43 | 80.7 Ų | 80.7 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -53.8 | -55.5 | 177.2 | -124.3 | -170.6 | -174 | 158.3 | 8.4 | 112.3 | F5 K6 W7 R11 F13 E49 E204 | F5-R9 PolarHBondContact O-N 3.45Å; K6-R9 VanDerWaalsContact O-CB 3.27Å; K6-R9 WeakPolarHBondContact O-CB 3.42Å; K6-R9 PolarHBondContact O-N 3.43Å; W7-R9 VanDerWaalsContact C-N 3.33Å; R9-R11 VanDerWaalsContact C-N 3.28Å; R9-R11 PolarHBondContact O-N 3.29Å; R9-F13 HydrophobicContact CG-CE2 4.31Å; R9-E49 IonicContact CZ-OE1 3.65Å; R9-E49 VanDerWaalsContact CZ-OE1 3.26Å; R9-E49 IonicContact NH1-OE1 2.79Å; R9-E49 PolarHBondContact NH1-OE1 3.35Å; R9-E49 IonicContact NH2-OE1 3.74Å; R9-E49 PolarHBondContact NH2-OE1 2.87Å; R9-E204 VanDerWaalsContact CD-OE1 3.27Å; R9-E204 WeakPolarHBondContact CD-OE1 3.24Å; R9-E204 IonicContact CZ-OE1 2.66Å; R9-E204 IonicContact NE-OE1 3.16Å; R9-E204 PolarHBondContact NE-OE1 3.41Å; R9-E204 IonicContact NH1-OE1 3.59Å; R9-E204 PolarHBondContact NH1-OE1 3.33Å |
| 10 | K | 47.4 | Very low | 55.3 | Low | 136 Ų | 136 | 84 Ų | 84 | 59% | 0.591 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.9 | -16.7 | -173.2 | -71.2 | -172.7 | 176.1 | -177.2 | 0 | 115.3 | K6 W7 | K6-K10 PolarHBondContact O-N 3.16Å; W7-K10 PolarHBondContact O-N 3.19Å |
| 11 | R | 47.9 | Very low | 56.9 | Low | 169 Ų | 169 | 83.4 Ų | 83.4 | 64% | 0.638 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -122.5 | -24.2 | 180 | -77.8 | -173 | 173.7 | -163.7 | 0 | 116.6 | W7 K8 R9 F13 | W7-R11 VanDerWaalsContact CH2-NH1 3.33Å; W7-R11 PolarHBondContact O-N 3.37Å; K8-R11 PolarHBondContact O-N 2.84Å; R9-R11 VanDerWaalsContact C-N 3.28Å; R9-R11 PolarHBondContact O-N 3.29Å; R11-F13 PolarHBondContact O-N 3.14Å |
| 12 | A | 47.8 | Very low | 59.3 | Low | 32 Ų | 32 | 83.8 Ų | 83.8 | 26% | 0.264 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.4 | -31.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K8 | K8-A12 WeakPolarHBondContact O-CB 3.39Å; K8-A12 PolarHBondContact O-N 3.38Å |
| 13 | F | 63.4 | Low | 62.1 | Low | 18 Ų | 18 | 80.5 Ų | 80.5 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -92.4 | -31.1 | -174.2 | -59.9 | -34.3 | 0 | 0 | 0 | 114.8 | R9 R11 N15 D16 R19 V47 P57 F58 | R9-F13 HydrophobicContact CG-CE2 4.31Å; R11-F13 PolarHBondContact O-N 3.14Å; F13-N15 PolarHBondContact O-N 2.84Å; F13-D16 PolarHBondContact O-N 2.71Å; F13-D16 VanDerWaalsContact O-N 3.08Å; F13-R19 WeakPolarHBondContact O-CD 3.44Å; F13-V47 HydrophobicContact CD2-CB 4.44Å; F13-V47 HydrophobicContact CD2-CG1 3.93Å; F13-V47 HydrophobicContact CE1-CG1 4.07Å; F13-V47 HydrophobicContact CE2-CB 3.51Å; F13-V47 HydrophobicContact CE2-CG1 3.34Å; F13-V47 HydrophobicContact CE2-CG2 3.99Å; F13-V47 HydrophobicContact CG-CG1 4.46Å; F13-V47 HydrophobicContact CZ-CB 3.64Å; F13-V47 HydrophobicContact CZ-CG1 3.35Å; F13-P57 HydrophobicContact CE1-CB 4.19Å; F13-P57 HydrophobicContact CE1-CG 3.77Å; F13-P57 HydrophobicContact CE2-CB 4.07Å; F13-P57 HydrophobicContact CE2-CG 4.07Å; F13-P57 HydrophobicContact CZ-CB 3.39Å; F13-P57 HydrophobicContact CZ-CG 3.37Å; F13-F58 HydrophobicContact CD1-CD1 4.17Å; F13-F58 HydrophobicContact CD1-CD2 4.02Å; F13-F58 AromaticContact CD1-CE1 3.59Å; F13-F58 HydrophobicContact CD1-CE1 3.59Å; F13-F58 AromaticContact CD1-CE2 3.45Å; F13-F58 HydrophobicContact CD1-CE2 3.45Å; F13-F58 VanDerWaalsContact CD1-CE2 3.45Å; F13-F58 HydrophobicContact CD1-CG 4.37Å; F13-F58 AromaticContact CD1-CZ 3.21Å; F13-F58 HydrophobicContact CD1-CZ 3.21Å; F13-F58 AromaticContact CE1-CD1 3.7Å; F13-F58 HydrophobicContact CE1-CD1 3.7Å; F13-F58 AromaticContact CE1-CD2 3.5Å; F13-F58 HydrophobicContact CE1-CD2 3.5Å; F13-F58 AromaticContact CE1-CE1 3.62Å; F13-F58 HydrophobicContact CE1-CE1 3.62Å; F13-F58 AromaticContact CE1-CE2 3.46Å; F13-F58 HydrophobicContact CE1-CE2 3.46Å; F13-F58 VanDerWaalsContact CE1-CE2 3.46Å; F13-F58 AromaticContact CE1-CG 3.65Å; F13-F58 HydrophobicContact CE1-CG 3.65Å; F13-F58 AromaticContact CE1-CZ 3.53Å; F13-F58 HydrophobicContact CE1-CZ 3.53Å; F13-F58 HydrophobicContact CG-CE1 4.36Å; F13-F58 HydrophobicContact CG-CZ 4.19Å; F13-F58 HydrophobicContact CZ-CD1 4.27Å; F13-F58 HydrophobicContact CZ-CE1 4.42Å; F13-F58 HydrophobicContact CZ-CG 4.36Å |
| 14 | A | 62 | Low | 64.9 | Low | 47 Ų | 47 | 75 Ų | 75 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -31.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R19 | A14-R19 PolarHBondContact O-NH1 3.13Å; A14-R19 VanDerWaalsContact O-NH1 3.09Å |
| 15 | N | 70.7 | Confident | 67.7 | Low | 148 Ų | 148 | 72.4 Ų | 72.4 | 79% | 0.791 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -3.6 | -174.3 | -60.8 | -7 | 0 | 0 | 0 | 114.6 | F13 | F13-N15 PolarHBondContact O-N 2.84Š|
| 16 | D | 84.7 | Confident | 70 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 6% | 0.059 | 32% | 0.322 | C | S | . | . | trans | -80.3 | 126.8 | -180 | -167.2 | -55.2 | 0 | 0 | 0 | 110.3 | F13 I18 R19 F58 T90 V91 | F13-D16 PolarHBondContact O-N 2.71Å; F13-D16 VanDerWaalsContact O-N 3.08Å; D16-I18 HydrophobicContact CB-CG2 3.91Å; D16-I18 PolarHBondContact O-N 2.85Å; D16-I18 VanDerWaalsContact OD1-CB 3.27Å; D16-I18 WeakPolarHBondContact OD1-CB 3.4Å; D16-I18 VanDerWaalsContact OD1-CG2 3.32Å; D16-I18 WeakPolarHBondContact OD1-CG2 3.46Å; D16-I18 PolarHBondContact OD1-N 2.87Å; D16-R19 PolarHBondContact O-N 2.84Å; D16-R19 VanDerWaalsContact O-N 3.07Å; D16-F58 HydrophobicContact CB-CZ 4.21Å; D16-T90 VanDerWaalsContact OD2-CA 3.26Å; D16-T90 WeakPolarHBondContact OD2-CA 3.48Å; D16-T90 WeakPolarHBondContact OD2-CB 3.24Å; D16-V91 PolarHBondContact OD2-N 3.47Å | ||
| 17 | P | 89.1 | Confident | 72.4 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -55.1 | -16.3 | 178 | -26.8 | 35.7 | 0 | 0 | 0 | 115.2 | R19 K20 T90 N92 | P17-R19 PolarHBondContact O-N 2.82Å; P17-K20 PolarHBondContact O-N 2.78Å; P17-T90 HydrophobicContact CG-CG2 4.3Å; P17-N92 HydrophobicContact CB-CB 4.23Å |
| 18 | I | 89.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -55 | -32.3 | 172.6 | -159.1 | 66.5 | 0 | 0 | 0 | 112.7 | D16 K20 K21 F23 F24 I45 F58 V91 N92 V95 | D16-I18 HydrophobicContact CB-CG2 3.91Å; D16-I18 PolarHBondContact O-N 2.85Å; D16-I18 VanDerWaalsContact OD1-CB 3.27Å; D16-I18 WeakPolarHBondContact OD1-CB 3.4Å; D16-I18 VanDerWaalsContact OD1-CG2 3.32Å; D16-I18 WeakPolarHBondContact OD1-CG2 3.46Å; D16-I18 PolarHBondContact OD1-N 2.87Å; I18-K20 PolarHBondContact O-N 3.44Å; I18-K20 VanDerWaalsContact O-N 3.12Å; I18-K21 HydrophobicContact CD1-CG 4.18Å; I18-K21 WeakPolarHBondContact O-CB 3.17Å; I18-K21 PolarHBondContact O-N 3.36Å; I18-F23 HydrophobicContact CD1-CE2 3.78Å; I18-F24 HydrophobicContact CG1-CD2 4.15Å; I18-F24 HydrophobicContact CG2-CD2 4.24Å; I18-F24 HydrophobicContact CG2-CE2 4.37Å; I18-F24 WeakPolarHBondContact O-CB 3.39Å; I18-I45 HydrophobicContact CD1-CG1 4.21Å; I18-I45 HydrophobicContact CG1-CB 4.42Å; I18-I45 HydrophobicContact CG1-CG1 4.41Å; I18-I45 HydrophobicContact CG1-CG2 4.19Å; I18-F58 HydrophobicContact CG2-CE1 3.6Å; I18-F58 HydrophobicContact CG2-CZ 3.68Å; I18-V91 HydrophobicContact CB-CB 4.38Å; I18-V91 HydrophobicContact CB-CG1 4.47Å; I18-V91 HydrophobicContact CD1-CG1 4.05Å; I18-V91 HydrophobicContact CG1-CB 4.39Å; I18-V91 HydrophobicContact CG1-CG1 3.94Å; I18-V91 HydrophobicContact CG2-CB 4.5Å; I18-N92 HydrophobicContact CD1-CB 4.38Å; I18-V95 HydrophobicContact CD1-CG2 4.44Å |
| 19 | R | 86.2 | Confident | 77.7 | Confident | 52 Ų | 52 | 56 Ų | 56 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -56.3 | -31 | 178.8 | -78.9 | -173.1 | 64.2 | -152.3 | 2.9 | 113.4 | F13 A14 D16 P17 K21 F24 H125 D202 V203 | F13-R19 WeakPolarHBondContact O-CD 3.44Å; A14-R19 PolarHBondContact O-NH1 3.13Å; A14-R19 VanDerWaalsContact O-NH1 3.09Å; D16-R19 PolarHBondContact O-N 2.84Å; D16-R19 VanDerWaalsContact O-N 3.07Å; P17-R19 PolarHBondContact O-N 2.82Å; R19-K21 VanDerWaalsContact C-N 3.33Å; R19-F24 HydrophobicContact CB-CD1 4.47Å; R19-F24 HydrophobicContact CB-CE1 4.5Å; R19-F24 HydrophobicContact CG-CD1 4.33Å; R19-F24 HydrophobicContact CG-CE1 3.89Å; R19-F24 HydrophobicContact CG-CZ 4.4Å; R19-H125 PolarHBondContact O-CE1 3.02Å; R19-H125 VanDerWaalsContact O-CE1 3.24Å; R19-H125 PolarHBondContact O-ND1 2.84Å; R19-D202 IonicContact CZ-OD2 3.23Å; R19-D202 IonicContact NE-OD2 2.75Å; R19-D202 PolarHBondContact NE-OD2 2.94Å; R19-D202 VanDerWaalsContact NE-OD2 3.15Å; R19-D202 IonicContact NH2-OD2 2.71Å; R19-D202 PolarHBondContact NH2-OD2 2.87Å; R19-V203 VanDerWaalsContact NH2-CG1 3.35Å |
| 20 | K | 84.1 | Confident | 79.8 | Confident | 146 Ų | 146 | 60.4 Ų | 60.4 | 64% | 0.635 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -90.2 | 11.6 | -179.3 | -56.5 | -166.4 | 178.7 | -111.2 | 0 | 113.6 | P17 I18 E127 | P17-K20 PolarHBondContact O-N 2.78Å; I18-K20 PolarHBondContact O-N 3.44Å; I18-K20 VanDerWaalsContact O-N 3.12Å; K20-E127 IonicContact NZ-OE1 3.57Å; K20-E127 IonicContact NZ-OE2 3.74Å; K20-E127 PolarHBondContact NZ-OE2 2.87Å |
| 21 | K | 89.1 | Confident | 81.7 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -95.3 | 136.2 | 177.1 | -62.8 | -58.2 | -169.1 | 177 | 0 | 110.7 | I18 R19 F23 F24 N92 | I18-K21 HydrophobicContact CD1-CG 4.18Å; I18-K21 WeakPolarHBondContact O-CB 3.17Å; I18-K21 PolarHBondContact O-N 3.36Å; R19-K21 VanDerWaalsContact C-N 3.33Å; K21-F23 HydrophobicContact CB-CD1 4.2Å; K21-F23 HydrophobicContact CB-CD2 4.09Å; K21-F23 HydrophobicContact CB-CE1 3.92Å; K21-F23 HydrophobicContact CB-CE2 3.8Å; K21-F23 HydrophobicContact CB-CG 4.3Å; K21-F23 HydrophobicContact CB-CZ 3.72Å; K21-F23 HydrophobicContact CD-CE1 4.36Å; K21-F23 HydrophobicContact CD-CZ 4.2Å; K21-F23 HydrophobicContact CG-CE1 4.25Å; K21-F23 HydrophobicContact CG-CE2 4.12Å; K21-F23 HydrophobicContact CG-CZ 3.78Å; K21-F23 PolarHBondContact O-N 2.82Å; K21-F24 WeakPolarHBondContact O-CB 3.42Å; K21-F24 PolarHBondContact O-N 3.41Å; K21-N92 WeakPolarHBondContact CE-OD1 3.35Å; K21-N92 PolarHBondContact NZ-OD1 2.8Å |
| 22 | K | 87.2 | Confident | 83.8 | Confident | 147 Ų | 147 | 48.9 Ų | 48.9 | 64% | 0.639 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -20.5 | 178.9 | -67.6 | -168.5 | 177.7 | -175.7 | 0 | 115 | I117 R119 | K22-I117 CarbonylContact C-O 3.55Å; K22-R119 HydrophobicContact CB-CB 3.79Å; K22-R119 HydrophobicContact CD-CB 4.13Å; K22-R119 HydrophobicContact CG-CB 3.88Å; K22-R119 WeakPolarHBondContact O-CA 3.47Å |
| 23 | F | 92.4 | Very high | 85.9 | Confident | 30 Ų | 30 | 47.4 Ų | 47.4 | 13% | 0.132 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 7.9 | 178 | 54.6 | -103.8 | 0 | 0 | 0 | 113.8 | I18 K21 F43 L44 I45 V95 I117 | I18-F23 HydrophobicContact CD1-CE2 3.78Å; K21-F23 HydrophobicContact CB-CD1 4.2Å; K21-F23 HydrophobicContact CB-CD2 4.09Å; K21-F23 HydrophobicContact CB-CE1 3.92Å; K21-F23 HydrophobicContact CB-CE2 3.8Å; K21-F23 HydrophobicContact CB-CG 4.3Å; K21-F23 HydrophobicContact CB-CZ 3.72Å; K21-F23 HydrophobicContact CD-CE1 4.36Å; K21-F23 HydrophobicContact CD-CZ 4.2Å; K21-F23 HydrophobicContact CG-CE1 4.25Å; K21-F23 HydrophobicContact CG-CE2 4.12Å; K21-F23 HydrophobicContact CG-CZ 3.78Å; K21-F23 PolarHBondContact O-N 2.82Å; F23-F43 AromaticContact CD2-CE2 3.82Å; F23-F43 HydrophobicContact CD2-CE2 3.82Å; F23-F43 HydrophobicContact CD2-CZ 4.44Å; F23-F43 AromaticContact CE2-CE2 3.89Å; F23-F43 HydrophobicContact CE2-CE2 3.89Å; F23-F43 HydrophobicContact CE2-CZ 4.32Å; F23-F43 HydrophobicContact CG-CE2 4.32Å; F23-F43 HydrophobicContact CZ-CE2 4.44Å; F23-F43 HydrophobicContact CZ-CZ 4.43Å; F23-L44 WeakPolarHBondContact O-CA 3.28Å; F23-I45 HydrophobicContact CD2-CG1 4Å; F23-I45 HydrophobicContact CE2-CG1 4.18Å; F23-I45 PolarHBondContact O-N 2.79Å; F23-V95 HydrophobicContact CE2-CG1 4.11Å; F23-V95 HydrophobicContact CZ-CG1 4.19Å; F23-I117 HydrophobicContact CB-CG1 4.06Å |
| 24 | F | 92.2 | Very high | 87.4 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 2% | 0.022 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 115.5 | 169.4 | -178.2 | -104.3 | 0 | 0 | 0 | 109.9 | I18 R19 K21 I45 V47 F58 D202 | I18-F24 HydrophobicContact CG1-CD2 4.15Å; I18-F24 HydrophobicContact CG2-CD2 4.24Å; I18-F24 HydrophobicContact CG2-CE2 4.37Å; I18-F24 WeakPolarHBondContact O-CB 3.39Å; R19-F24 HydrophobicContact CB-CD1 4.47Å; R19-F24 HydrophobicContact CB-CE1 4.5Å; R19-F24 HydrophobicContact CG-CD1 4.33Å; R19-F24 HydrophobicContact CG-CE1 3.89Å; R19-F24 HydrophobicContact CG-CZ 4.4Å; K21-F24 WeakPolarHBondContact O-CB 3.42Å; K21-F24 PolarHBondContact O-N 3.41Å; F24-I45 CarbonylContact C-O 3.54Å; F24-I45 WeakPolarHBondContact CA-O 3.27Å; F24-I45 HydrophobicContact CD2-CB 4.03Å; F24-I45 HydrophobicContact CD2-CG2 3.84Å; F24-I45 WeakPolarHBondContact CD2-O 3.49Å; F24-I45 HydrophobicContact CE2-CG2 4.2Å; F24-V47 HydrophobicContact CE2-CG1 3.87Å; F24-V47 HydrophobicContact CZ-CG1 3.79Å; F24-F58 HydrophobicContact CE2-CD1 4.08Å; F24-F58 AromaticContact CE2-CE1 3.74Å; F24-F58 HydrophobicContact CE2-CE1 3.74Å; F24-F58 HydrophobicContact CZ-CE1 4.33Å; F24-D202 HydrophobicContact CD1-CB 4.37Å; F24-D202 HydrophobicContact CE1-CB 3.93Å |
| 25 | C | 91.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | trans | -103.7 | 8.9 | -173.2 | -55.6 | 0 | 0 | 0 | 0 | 113.6 | L28 L44 I45 I123 | C25-L28 HydrophobicContact CB-CB 3.75Å; C25-L28 HydrophobicContact CB-CD2 3.78Å; C25-L28 HydrophobicContact CB-CG 4.35Å; C25-L28 PolarHBondContact O-N 2.87Å; C25-L44 HydrophobicContact CB-CD1 4.44Å; C25-I45 PolarHBondContact N-O 2.81Å; C25-I123 HydrophobicContact CB-CD1 4.33Å | ||
| 26 | G | 89.8 | Confident | 89.7 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -139.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L28 R46 V47 L201 | G26-L28 PolarHBondContact O-N 2.86Å; G26-R46 CarbonylContact O-C 3.55Å; G26-R46 VanDerWaalsContact O-CA 3.29Å; G26-R46 WeakPolarHBondContact O-CA 3.08Å; G26-R46 WeakPolarHBondContact O-CB 3.26Å; G26-V47 PolarHBondContact O-N 3.29Å; G26-L201 CarbonylContact C-O 3.59Å; G26-L201 VanDerWaalsContact CA-O 3.28Å; G26-L201 WeakPolarHBondContact CA-O 3.45Å |
| 27 | A | 88.9 | Confident | 90.2 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 32.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V47 L201 L206 | A27-V47 HydrophobicContact CB-CG2 3.98Å; A27-L201 PolarHBondContact N-O 2.74Å; A27-L206 HydrophobicContact CB-CD2 4.04Å |
| 28 | L | 91 | Very high | 90.2 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -58.7 | 129.3 | 177.8 | -170.9 | 72.2 | 0 | 0 | 0 | 111.1 | C25 G26 D32 A33 L36 L44 R46 W122 I123 L201 | C25-L28 HydrophobicContact CB-CB 3.75Å; C25-L28 HydrophobicContact CB-CD2 3.78Å; C25-L28 HydrophobicContact CB-CG 4.35Å; C25-L28 PolarHBondContact O-N 2.87Å; G26-L28 PolarHBondContact O-N 2.86Å; L28-D32 HydrophobicContact CD1-CB 3.8Å; L28-D32 HydrophobicContact CG-CB 4.11Å; L28-A33 HydrophobicContact CD2-CB 3.92Å; L28-A33 HydrophobicContact CG-CB 4.49Å; L28-L36 HydrophobicContact CD2-CD1 3.65Å; L28-L44 HydrophobicContact CD2-CD2 4.39Å; L28-R46 WeakPolarHBondContact O-CD 3.38Å; L28-W122 HydrophobicContact CD1-CH2 4.34Å; L28-W122 HydrophobicContact CD1-CZ3 4.39Å; L28-I123 HydrophobicContact CD1-CD1 4.46Å; L28-L201 HydrophobicContact CB-CD1 4.14Å; L28-L201 HydrophobicContact CD1-CD1 3.86Å | ||
| 29 | P | 89.6 | Confident | 90.4 | Very high | 29 Ų | 29 | 59.4 Ų | 59.4 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | trans | -63.2 | 159 | 178.1 | -21.7 | 33.4 | 0 | 0 | 0 | 112.3 | A31 D32 A33 F179 | P29-A31 PolarHBondContact O-N 2.73Å; P29-D32 WeakPolarHBondContact CB-OD2 3.48Å; P29-D32 WeakPolarHBondContact CG-OD2 3.44Å; P29-D32 PolarHBondContact O-N 2.81Å; P29-A33 WeakPolarHBondContact O-CB 3.3Å; P29-A33 PolarHBondContact O-N 3.16Å; P29-F179 HydrophobicContact CG-CB 4.45Å; P29-F179 HydrophobicContact CG-CD1 3.75Å; P29-F179 HydrophobicContact CG-CD2 3.47Å; P29-F179 VanDerWaalsContact CG-CD2 3.47Å; P29-F179 HydrophobicContact CG-CE1 3.75Å; P29-F179 HydrophobicContact CG-CE2 3.49Å; P29-F179 VanDerWaalsContact CG-CE2 3.49Å; P29-F179 HydrophobicContact CG-CG 3.63Å; P29-F179 HydrophobicContact CG-CZ 3.63Å | ||
| 30 | R | 91 | Very high | 90.7 | Very high | 136 Ų | 136 | 61.4 Ų | 61.4 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.4 | -47.7 | 179.6 | -178.6 | -179.4 | 166.4 | 159.8 | 3.6 | 112.1 | A33 E34 H70 | R30-A33 WeakPolarHBondContact O-CB 3.41Å; R30-A33 PolarHBondContact O-N 3.2Å; R30-E34 HydrophobicContact CG-CG 4.47Å; R30-E34 IonicContact CZ-OE1 2.65Å; R30-E34 VanDerWaalsContact CZ-OE1 3.23Å; R30-E34 IonicContact NE-OE1 3.13Å; R30-E34 PolarHBondContact NE-OE1 3.27Å; R30-E34 IonicContact NH2-OE1 2.66Å; R30-E34 PolarHBondContact NH2-OE1 3.28Å; R30-E34 WeakPolarHBondContact O-CG 3.33Å; R30-E34 PolarHBondContact O-N 2.97Å; R30-H70 VanDerWaalsContact CZ-CD2 3.45Å; R30-H70 PolarHBondContact NE-CD2 3.19Å; R30-H70 PolarHBondContact NE-NE2 2.68Å |
| 31 | A | 88.3 | Confident | 91.2 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P29 A33 E34 H35 | P29-A31 PolarHBondContact O-N 2.73Å; A31-A33 VanDerWaalsContact C-N 3.3Å; A31-A33 PolarHBondContact O-N 3.01Å; A31-E34 PolarHBondContact O-N 2.72Å; A31-H35 PolarHBondContact O-N 2.9Å; A31-H35 PolarHBondContact O-ND1 2.98Å |
| 32 | D | 90.7 | Very high | 91.5 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.7 | -32.3 | 178.1 | -51.4 | -93.2 | 0 | 0 | 0 | 111.7 | L28 P29 H35 L36 R183 | L28-D32 HydrophobicContact CD1-CB 3.8Å; L28-D32 HydrophobicContact CG-CB 4.11Å; P29-D32 WeakPolarHBondContact CB-OD2 3.48Å; P29-D32 WeakPolarHBondContact CG-OD2 3.44Å; P29-D32 PolarHBondContact O-N 2.81Å; D32-H35 PolarHBondContact O-N 3.36Å; D32-L36 WeakPolarHBondContact O-CG 3.35Å; D32-L36 PolarHBondContact O-N 2.95Å; D32-R183 IonicContact OD1-CZ 3.23Å; D32-R183 IonicContact OD1-NE 2.82Å; D32-R183 PolarHBondContact OD1-NE 3.32Å; D32-R183 IonicContact OD1-NH2 3.35Å; D32-R183 IonicContact OD2-CZ 2.6Å; D32-R183 IonicContact OD2-NE 3.45Å; D32-R183 IonicContact OD2-NH2 3.45Å; D32-R183 PolarHBondContact OD2-NH2 2.84Å |
| 33 | A | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | L28 P29 R30 A31 H35 L36 L37 L44 | L28-A33 HydrophobicContact CD2-CB 3.92Å; L28-A33 HydrophobicContact CG-CB 4.49Å; P29-A33 WeakPolarHBondContact O-CB 3.3Å; P29-A33 PolarHBondContact O-N 3.16Å; R30-A33 WeakPolarHBondContact O-CB 3.41Å; R30-A33 PolarHBondContact O-N 3.2Å; A31-A33 VanDerWaalsContact C-N 3.3Å; A31-A33 PolarHBondContact O-N 3.01Å; A33-H35 VanDerWaalsContact C-N 3.26Å; A33-H35 PolarHBondContact O-N 2.98Å; A33-L36 PolarHBondContact O-N 3.39Å; A33-L37 WeakPolarHBondContact O-CD1 3.42Å; A33-L37 VanDerWaalsContact O-CG 3.32Å; A33-L37 WeakPolarHBondContact O-CG 3.39Å; A33-L44 HydrophobicContact CB-CD1 4.09Å; A33-L44 HydrophobicContact CB-CD2 4.07Å |
| 34 | E | 93.9 | Very high | 92.2 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64 | -30.6 | 175.6 | -72.5 | 165.4 | 157.6 | 0 | 0 | 112.3 | R30 A31 V68 H70 | R30-E34 HydrophobicContact CG-CG 4.47Å; R30-E34 IonicContact CZ-OE1 2.65Å; R30-E34 VanDerWaalsContact CZ-OE1 3.23Å; R30-E34 IonicContact NE-OE1 3.13Å; R30-E34 PolarHBondContact NE-OE1 3.27Å; R30-E34 IonicContact NH2-OE1 2.66Å; R30-E34 PolarHBondContact NH2-OE1 3.28Å; R30-E34 WeakPolarHBondContact O-CG 3.33Å; R30-E34 PolarHBondContact O-N 2.97Å; A31-E34 PolarHBondContact O-N 2.72Å; E34-V68 HydrophobicContact CB-CG1 4.48Å; E34-V68 HydrophobicContact CB-CG2 4.47Å; E34-V68 HydrophobicContact CG-CB 4.05Å; E34-V68 HydrophobicContact CG-CG1 3.79Å; E34-V68 HydrophobicContact CG-CG2 4.43Å; E34-H70 IonicContact OE1-NE2 2.77Å; E34-H70 PolarHBondContact OE1-NE2 2.91Å; E34-H70 VanDerWaalsContact OE1-NE2 3.16Å |
| 35 | H | 89.8 | Confident | 92.3 | Very high | 158 Ų | 158 | 43.7 Ų | 43.7 | 73% | 0.731 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -79.7 | -24.8 | 175.3 | -71.9 | 80.3 | 0 | 0 | 0 | 114.3 | A31 D32 A33 L37 | A31-H35 PolarHBondContact O-N 2.9Å; A31-H35 PolarHBondContact O-ND1 2.98Å; D32-H35 PolarHBondContact O-N 3.36Å; A33-H35 VanDerWaalsContact C-N 3.26Å; A33-H35 PolarHBondContact O-N 2.98Å; H35-L37 VanDerWaalsContact C-N 3.32Å |
| 36 | L | 92.2 | Very high | 92.4 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -82.1 | -7.9 | 177.1 | -74.3 | -176.5 | 0 | 0 | 0 | 114.1 | L28 D32 A33 L44 I117 V120 W122 I123 | L28-L36 HydrophobicContact CD2-CD1 3.65Å; D32-L36 WeakPolarHBondContact O-CG 3.35Å; D32-L36 PolarHBondContact O-N 2.95Å; A33-L36 PolarHBondContact O-N 3.39Å; L36-L44 HydrophobicContact CB-CD2 4Å; L36-L44 HydrophobicContact CD1-CD2 4.4Å; L36-I117 HydrophobicContact CB-CD1 4.4Å; L36-I117 HydrophobicContact CD1-CD1 4.06Å; L36-V120 HydrophobicContact CD1-CG2 4.02Å; L36-V120 HydrophobicContact CD2-CG1 4.38Å; L36-V120 HydrophobicContact CD2-CG2 3.85Å; L36-W122 HydrophobicContact CD1-CH2 4.34Å; L36-W122 HydrophobicContact CD1-CZ2 4.48Å; L36-W122 HydrophobicContact CD2-CZ2 4.02Å; L36-I123 HydrophobicContact CD1-CD1 4Å |
| 37 | L | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -104.2 | 104.5 | -178.6 | -63.7 | 167.7 | 0 | 0 | 0 | 108.4 | A33 H35 Q42 L44 R63 V68 I117 | A33-L37 WeakPolarHBondContact O-CD1 3.42Å; A33-L37 VanDerWaalsContact O-CG 3.32Å; A33-L37 WeakPolarHBondContact O-CG 3.39Å; H35-L37 VanDerWaalsContact C-N 3.32Å; L37-Q42 HydrophobicContact CD2-CG 4.38Å; L37-L44 HydrophobicContact CD1-CD2 4.35Å; L37-L44 HydrophobicContact CD1-CG 4.44Å; L37-L44 HydrophobicContact CD2-CD2 4.09Å; L37-L44 HydrophobicContact CD2-CG 4.22Å; L37-L44 HydrophobicContact CG-CD2 4.04Å; L37-L44 HydrophobicContact CG-CG 4.48Å; L37-R63 HydrophobicContact CB-CB 4.08Å; L37-R63 VanDerWaalsContact O-CZ 3.24Å; L37-R63 PolarHBondContact O-NE 2.89Å; L37-R63 PolarHBondContact O-NH2 3.02Å; L37-V68 HydrophobicContact CD1-CG1 3.8Å; L37-I117 HydrophobicContact CD2-CG2 3.88Å | ||
| 38 | E | 90.3 | Very high | 92.1 | Very high | 139 Ų | 139 | 46 Ų | 46 | 65% | 0.65 | 22% | 0.224 | S | C | * | . | trans | -96.9 | -40.9 | -175.9 | -66.2 | 174.3 | -178.9 | 0 | 0 | 112.3 | R63 | E38-R63 WeakPolarHBondContact O-CD 3.47Š| ||
| 39 | R | 92.3 | Very high | 91.4 | Very high | 154 Ų | 154 | 50.5 Ų | 50.5 | 58% | 0.581 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -114.3 | 149 | -163.1 | -58.3 | 176 | -172.9 | -151.8 | -8.1 | 112.7 | G41 Q42 R63 | R39-G41 PolarHBondContact O-N 3.36Å; R39-Q42 HydrophobicContact CB-CB 4.16Å; R39-Q42 WeakPolarHBondContact O-CB 3.37Å; R39-Q42 PolarHBondContact O-N 3.19Å; R39-Q42 VanDerWaalsContact O-N 3.08Å; R39-R63 WeakPolarHBondContact O-CB 3.08Å |
| 40 | N | 93.6 | Very high | 90.7 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 132.6 | 174.2 | -178.4 | 44.7 | 0 | 0 | 0 | 111.5 | Q42 S64 Q65 | N40-Q42 PolarHBondContact O-N 3.14Å; N40-S64 VanDerWaalsContact OD1-C 3.32Å; N40-S64 VanDerWaalsContact OD1-CA 3.28Å; N40-S64 WeakPolarHBondContact OD1-CA 3.49Å; N40-Q65 PolarHBondContact OD1-N 2.99Å; N40-Q65 VanDerWaalsContact OD1-N 3.13Å |
| 41 | G | 93 | Very high | 89.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -9.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | R39 R63 T114 | R39-G41 PolarHBondContact O-N 3.36Å; G41-R63 PolarHBondContact N-O 2.97Å; G41-T114 VanDerWaalsContact C-OG1 3.28Å; G41-T114 WeakPolarHBondContact CA-OG1 3.18Å; G41-T114 PolarHBondContact O-N 3.09Å; G41-T114 PolarHBondContact O-OG1 2.76Å; G41-T114 VanDerWaalsContact O-OG1 3.12Å |
| 42 | Q | 96.2 | Very high | 88.9 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 9% | 0.093 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 139.5 | 177.1 | -164.2 | -179.1 | 25.7 | 0 | 0 | 110.5 | L37 R39 N40 L62 R63 E115 I117 | L37-Q42 HydrophobicContact CD2-CG 4.38Å; R39-Q42 HydrophobicContact CB-CB 4.16Å; R39-Q42 WeakPolarHBondContact O-CB 3.37Å; R39-Q42 PolarHBondContact O-N 3.19Å; R39-Q42 VanDerWaalsContact O-N 3.08Å; N40-Q42 PolarHBondContact O-N 3.14Å; Q42-L62 VanDerWaalsContact O-CA 3.26Å; Q42-L62 WeakPolarHBondContact O-CA 3.41Å; Q42-L62 WeakPolarHBondContact O-CB 3.18Å; Q42-R63 PolarHBondContact O-N 2.99Å; Q42-E115 CarbonylContact C-O 3.48Å; Q42-E115 VanDerWaalsContact CA-O 3.28Å; Q42-E115 WeakPolarHBondContact CA-O 3.33Å; Q42-I117 HydrophobicContact CG-CG2 3.9Å |
| 43 | F | 97.5 | Very high | 87.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 159.2 | -177.1 | 76.4 | -85 | 0 | 0 | 0 | 114.7 | F23 I45 I60 S61 L62 V95 V99 I113 E115 G116 I117 | F23-F43 AromaticContact CD2-CE2 3.82Å; F23-F43 HydrophobicContact CD2-CE2 3.82Å; F23-F43 HydrophobicContact CD2-CZ 4.44Å; F23-F43 AromaticContact CE2-CE2 3.89Å; F23-F43 HydrophobicContact CE2-CE2 3.89Å; F23-F43 HydrophobicContact CE2-CZ 4.32Å; F23-F43 HydrophobicContact CG-CE2 4.32Å; F23-F43 HydrophobicContact CZ-CE2 4.44Å; F23-F43 HydrophobicContact CZ-CZ 4.43Å; F43-I45 HydrophobicContact CD2-CD1 4.19Å; F43-I45 HydrophobicContact CE2-CD1 4.32Å; F43-I45 HydrophobicContact CE2-CG1 4.42Å; F43-I60 HydrophobicContact CB-CG2 4.37Å; F43-I60 HydrophobicContact CD2-CG2 4.42Å; F43-S61 CarbonylContact C-O 3.57Å; F43-S61 VanDerWaalsContact CA-O 3.26Å; F43-S61 WeakPolarHBondContact CA-O 3.32Å; F43-L62 HydrophobicContact CB-CB 3.85Å; F43-V95 HydrophobicContact CE2-CG1 3.59Å; F43-V95 HydrophobicContact CZ-CG1 3.55Å; F43-V99 HydrophobicContact CE1-CG2 3.85Å; F43-V99 HydrophobicContact CZ-CG2 4.01Å; F43-I113 HydrophobicContact CB-CB 4.28Å; F43-I113 HydrophobicContact CB-CG2 3.75Å; F43-I113 HydrophobicContact CD1-CB 3.61Å; F43-I113 HydrophobicContact CD1-CG2 4.07Å; F43-I113 HydrophobicContact CE1-CB 4.06Å; F43-I113 HydrophobicContact CG-CB 3.96Å; F43-I113 HydrophobicContact CG-CG2 3.91Å; F43-E115 WeakPolarHBondContact CD1-O 3.03Å; F43-E115 PolarHBondContact N-O 2.92Å; F43-G116 CarbonylContact O-C 3.55Å; F43-G116 VanDerWaalsContact O-CA 3.3Å; F43-G116 WeakPolarHBondContact O-CA 3.39Å; F43-I117 PolarHBondContact O-N 2.93Å |
| 44 | L | 96.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 156.5 | 167.9 | 67 | 84 | 0 | 0 | 0 | 110.5 | F23 C25 L28 A33 L36 L37 R46 S61 I117 | F23-L44 WeakPolarHBondContact O-CA 3.28Å; C25-L44 HydrophobicContact CB-CD1 4.44Å; L28-L44 HydrophobicContact CD2-CD2 4.39Å; A33-L44 HydrophobicContact CB-CD1 4.09Å; A33-L44 HydrophobicContact CB-CD2 4.07Å; L36-L44 HydrophobicContact CB-CD2 4Å; L36-L44 HydrophobicContact CD1-CD2 4.4Å; L37-L44 HydrophobicContact CD1-CD2 4.35Å; L37-L44 HydrophobicContact CD1-CG 4.44Å; L37-L44 HydrophobicContact CD2-CD2 4.09Å; L37-L44 HydrophobicContact CD2-CG 4.22Å; L37-L44 HydrophobicContact CG-CD2 4.04Å; L37-L44 HydrophobicContact CG-CG 4.48Å; L44-R46 HydrophobicContact CD1-CB 3.97Å; L44-R46 HydrophobicContact CD1-CG 4.18Å; L44-S61 PolarHBondContact N-O 2.9Å; L44-S61 PolarHBondContact O-N 3.25Å; L44-I117 HydrophobicContact CB-CD1 3.97Å; L44-I117 HydrophobicContact CB-CG1 3.96Å; L44-I117 HydrophobicContact CB-CG2 4.32Å; L44-I117 HydrophobicContact CD2-CD1 3.99Å |
| 45 | I | 95.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.4 | 173.9 | -52.4 | -61 | 0 | 0 | 0 | 108.1 | I18 F23 F24 C25 F43 F58 I60 V91 V95 | I18-I45 HydrophobicContact CD1-CG1 4.21Å; I18-I45 HydrophobicContact CG1-CB 4.42Å; I18-I45 HydrophobicContact CG1-CG1 4.41Å; I18-I45 HydrophobicContact CG1-CG2 4.19Å; F23-I45 HydrophobicContact CD2-CG1 4Å; F23-I45 HydrophobicContact CE2-CG1 4.18Å; F23-I45 PolarHBondContact O-N 2.79Å; F24-I45 CarbonylContact C-O 3.54Å; F24-I45 WeakPolarHBondContact CA-O 3.27Å; F24-I45 HydrophobicContact CD2-CB 4.03Å; F24-I45 HydrophobicContact CD2-CG2 3.84Å; F24-I45 WeakPolarHBondContact CD2-O 3.49Å; F24-I45 HydrophobicContact CE2-CG2 4.2Å; C25-I45 PolarHBondContact N-O 2.81Å; F43-I45 HydrophobicContact CD2-CD1 4.19Å; F43-I45 HydrophobicContact CE2-CD1 4.32Å; F43-I45 HydrophobicContact CE2-CG1 4.42Å; I45-F58 HydrophobicContact CG2-CD1 4.06Å; I45-I60 HydrophobicContact CD1-CB 4.13Å; I45-I60 HydrophobicContact CD1-CG1 3.75Å; I45-I60 HydrophobicContact CD1-CG2 4.07Å; I45-V91 HydrophobicContact CG2-CG1 4.37Å; I45-V95 HydrophobicContact CD1-CG2 3.77Å; I45-V95 HydrophobicContact CG1-CG2 4.21Å |
| 46 | R | 92.9 | Very high | 85.6 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 170 | 175.3 | 65 | -178.4 | -177.3 | 84.3 | 0.6 | 110.4 | G26 L28 L44 V59 S61 | G26-R46 CarbonylContact O-C 3.55Å; G26-R46 VanDerWaalsContact O-CA 3.29Å; G26-R46 WeakPolarHBondContact O-CA 3.08Å; G26-R46 WeakPolarHBondContact O-CB 3.26Å; L28-R46 WeakPolarHBondContact O-CD 3.38Å; L44-R46 HydrophobicContact CD1-CB 3.97Å; L44-R46 HydrophobicContact CD1-CG 4.18Å; R46-V59 HydrophobicContact CG-CB 4.18Å; R46-V59 PolarHBondContact N-O 2.93Å; R46-V59 PolarHBondContact O-N 3.31Å; R46-S61 PolarHBondContact NE-OG 3.46Å |
| 47 | V | 89.1 | Confident | 85.3 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 152.5 | 173.3 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | F13 F24 G26 A27 P57 F58 | F13-V47 HydrophobicContact CD2-CB 4.44Å; F13-V47 HydrophobicContact CD2-CG1 3.93Å; F13-V47 HydrophobicContact CE1-CG1 4.07Å; F13-V47 HydrophobicContact CE2-CB 3.51Å; F13-V47 HydrophobicContact CE2-CG1 3.34Å; F13-V47 HydrophobicContact CE2-CG2 3.99Å; F13-V47 HydrophobicContact CG-CG1 4.46Å; F13-V47 HydrophobicContact CZ-CB 3.64Å; F13-V47 HydrophobicContact CZ-CG1 3.35Å; F24-V47 HydrophobicContact CE2-CG1 3.87Å; F24-V47 HydrophobicContact CZ-CG1 3.79Å; G26-V47 PolarHBondContact O-N 3.29Å; A27-V47 HydrophobicContact CB-CG2 3.98Å; V47-P57 CarbonylContact C-O 3.54Å; V47-P57 WeakPolarHBondContact CA-O 3.37Å; V47-F58 HydrophobicContact CG1-CD1 3.98Å; V47-F58 HydrophobicContact CG1-CE1 4.26Å |
| 48 | S | 84.1 | Confident | 85.2 | Confident | 43 Ų | 43 | 49.9 Ų | 49.9 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | trans | -146.1 | 175.5 | -176.5 | -160.7 | 0 | 0 | 0 | 0 | 109.6 | P57 | S48-P57 PolarHBondContact N-O 2.97Å; S48-P57 WeakPolarHBondContact O-CB 3.3Å | ||
| 49 | E | 76.4 | Confident | 85.4 | Confident | 95 Ų | 95 | 43.5 Ų | 43.5 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | trans | -83.4 | 131.3 | 170.7 | -61 | -165.6 | -177.1 | 0 | 0 | 108.5 | R9 T51 K175 | R9-E49 IonicContact CZ-OE1 3.65Å; R9-E49 VanDerWaalsContact CZ-OE1 3.26Å; R9-E49 IonicContact NH1-OE1 2.79Å; R9-E49 PolarHBondContact NH1-OE1 3.35Å; R9-E49 IonicContact NH2-OE1 3.74Å; R9-E49 PolarHBondContact NH2-OE1 2.87Å; E49-T51 PolarHBondContact O-N 3.03Å; E49-K175 IonicContact OE1-NZ 2.98Å; E49-K175 PolarHBondContact OE1-NZ 3.18Å; E49-K175 VanDerWaalsContact OE1-NZ 3.13Å | ||
| 50 | P | 73.5 | Confident | 85.6 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | trans | -66.4 | 120.7 | 178.6 | -17.2 | 31.1 | 0 | 0 | 0 | 110.1 | F5 V52 A55 P57 | F5-P50 HydrophobicContact CD1-CB 4.32Å; F5-P50 HydrophobicContact CD1-CG 4.06Å; F5-P50 HydrophobicContact CE1-CB 4.12Å; F5-P50 HydrophobicContact CE1-CG 4.32Å; P50-V52 VanDerWaalsContact C-N 3.29Å; P50-V52 PolarHBondContact O-N 3.2Å; P50-A55 HydrophobicContact CB-CB 4.02Å; P50-P57 HydrophobicContact CG-CB 3.72Å; P50-P57 HydrophobicContact CG-CG 3.98Å | ||
| 51 | T | 69.8 | Low | 85.8 | Confident | 126 Ų | 126 | 31.8 Ų | 31.8 | 77% | 0.773 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -78.7 | -12.9 | 178.1 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | E49 | E49-T51 PolarHBondContact O-N 3.03Š|
| 52 | V | 71.7 | Confident | 86 | Confident | 85 Ų | 85 | 31.6 Ų | 31.6 | 52% | 0.515 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -144.4 | 154.1 | 179.9 | -64.9 | 0 | 0 | 0 | 0 | 110.6 | P50 A54 A55 | P50-V52 VanDerWaalsContact C-N 3.29Å; P50-V52 PolarHBondContact O-N 3.2Å; V52-A54 VanDerWaalsContact C-N 3.27Å; V52-A54 PolarHBondContact O-N 2.79Å; V52-A55 HydrophobicContact CG2-CB 3.7Å; V52-A55 WeakPolarHBondContact O-CB 3.49Å; V52-A55 PolarHBondContact O-N 3.49Å; V52-A55 VanDerWaalsContact O-N 3.08Å |
| 53 | E | 66.5 | Low | 86 | Confident | 145 Ų | 145 | 34.1 Ų | 34.1 | 68% | 0.678 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -29.7 | -171.7 | -61.8 | -160 | 115 | 0 | 0 | 115.2 | F5 | F5-E53 HydrophobicContact CZ-CG 4.45Š|
| 54 | A | 68.2 | Low | 85.8 | Confident | 60 Ų | 60 | 34.8 Ų | 34.8 | 50% | 0.496 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | V52 Q75 | V52-A54 VanDerWaalsContact C-N 3.27Å; V52-A54 PolarHBondContact O-N 2.79Å; A54-Q75 PolarHBondContact O-N 3.24Å |
| 55 | A | 78 | Confident | 85.5 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 133.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | P50 V52 V72 | P50-A55 HydrophobicContact CB-CB 4.02Å; V52-A55 HydrophobicContact CG2-CB 3.7Å; V52-A55 WeakPolarHBondContact O-CB 3.49Å; V52-A55 PolarHBondContact O-N 3.49Å; V52-A55 VanDerWaalsContact O-N 3.08Å; A55-V72 HydrophobicContact CB-CG1 3.7Å |
| 56 | S | 86.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 158.3 | 156.4 | 87.4 | 0 | 0 | 0 | 0 | 108.4 | F58 I73 | S56-F58 PolarHBondContact O-N 3.31Å; S56-F58 PolarHBondContact OG-N 2.97Å; S56-F58 VanDerWaalsContact OG-N 3.14Å; S56-I73 WeakPolarHBondContact CA-O 3.36Å; S56-I73 WeakPolarHBondContact CB-O 3.34Å; S56-I73 PolarHBondContact N-O 3.46Å; S56-I73 PolarHBondContact OG-O 2.82Å |
| 57 | P | 86.3 | Confident | 85.1 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 5% | 0.045 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 7.6 | 174.5 | 13.4 | 1.9 | 0 | 0 | 0 | 112.5 | F13 V47 S48 P50 | F13-P57 HydrophobicContact CE1-CB 4.19Å; F13-P57 HydrophobicContact CE1-CG 3.77Å; F13-P57 HydrophobicContact CE2-CB 4.07Å; F13-P57 HydrophobicContact CE2-CG 4.07Å; F13-P57 HydrophobicContact CZ-CB 3.39Å; F13-P57 HydrophobicContact CZ-CG 3.37Å; V47-P57 CarbonylContact C-O 3.54Å; V47-P57 WeakPolarHBondContact CA-O 3.37Å; S48-P57 PolarHBondContact N-O 2.97Å; S48-P57 WeakPolarHBondContact O-CB 3.3Å; P50-P57 HydrophobicContact CG-CB 3.72Å; P50-P57 HydrophobicContact CG-CG 3.98Å |
| 58 | F | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139.9 | 173.4 | -69 | -71.9 | 0 | 0 | 0 | 112.2 | F13 D16 I18 F24 I45 V47 S56 I73 Y81 V91 | F13-F58 HydrophobicContact CD1-CD1 4.17Å; F13-F58 HydrophobicContact CD1-CD2 4.02Å; F13-F58 AromaticContact CD1-CE1 3.59Å; F13-F58 HydrophobicContact CD1-CE1 3.59Å; F13-F58 AromaticContact CD1-CE2 3.45Å; F13-F58 HydrophobicContact CD1-CE2 3.45Å; F13-F58 VanDerWaalsContact CD1-CE2 3.45Å; F13-F58 HydrophobicContact CD1-CG 4.37Å; F13-F58 AromaticContact CD1-CZ 3.21Å; F13-F58 HydrophobicContact CD1-CZ 3.21Å; F13-F58 AromaticContact CE1-CD1 3.7Å; F13-F58 HydrophobicContact CE1-CD1 3.7Å; F13-F58 AromaticContact CE1-CD2 3.5Å; F13-F58 HydrophobicContact CE1-CD2 3.5Å; F13-F58 AromaticContact CE1-CE1 3.62Å; F13-F58 HydrophobicContact CE1-CE1 3.62Å; F13-F58 AromaticContact CE1-CE2 3.46Å; F13-F58 HydrophobicContact CE1-CE2 3.46Å; F13-F58 VanDerWaalsContact CE1-CE2 3.46Å; F13-F58 AromaticContact CE1-CG 3.65Å; F13-F58 HydrophobicContact CE1-CG 3.65Å; F13-F58 AromaticContact CE1-CZ 3.53Å; F13-F58 HydrophobicContact CE1-CZ 3.53Å; F13-F58 HydrophobicContact CG-CE1 4.36Å; F13-F58 HydrophobicContact CG-CZ 4.19Å; F13-F58 HydrophobicContact CZ-CD1 4.27Å; F13-F58 HydrophobicContact CZ-CE1 4.42Å; F13-F58 HydrophobicContact CZ-CG 4.36Å; D16-F58 HydrophobicContact CB-CZ 4.21Å; I18-F58 HydrophobicContact CG2-CE1 3.6Å; I18-F58 HydrophobicContact CG2-CZ 3.68Å; F24-F58 HydrophobicContact CE2-CD1 4.08Å; F24-F58 AromaticContact CE2-CE1 3.74Å; F24-F58 HydrophobicContact CE2-CE1 3.74Å; F24-F58 HydrophobicContact CZ-CE1 4.33Å; I45-F58 HydrophobicContact CG2-CD1 4.06Å; V47-F58 HydrophobicContact CG1-CD1 3.98Å; V47-F58 HydrophobicContact CG1-CE1 4.26Å; S56-F58 PolarHBondContact O-N 3.31Å; S56-F58 PolarHBondContact OG-N 2.97Å; S56-F58 VanDerWaalsContact OG-N 3.14Å; F58-I73 HydrophobicContact CB-CB 4.24Å; F58-I73 HydrophobicContact CB-CD1 4Å; F58-I73 HydrophobicContact CB-CG1 4.37Å; F58-I73 PolarHBondContact O-N 2.95Å; F58-Y81 HydrophobicContact CD2-CD1 4.48Å; F58-Y81 AromaticContact CD2-CE1 3.92Å; F58-Y81 HydrophobicContact CD2-CE1 3.92Å; F58-Y81 AromaticContact CE2-CE1 3.99Å; F58-Y81 HydrophobicContact CE2-CE1 3.99Å; F58-Y81 AromaticContact CE2-CZ 3.87Å; F58-V91 HydrophobicContact CB-CG2 4.38Å; F58-V91 HydrophobicContact CD2-CB 4.36Å; F58-V91 HydrophobicContact CD2-CG2 3.34Å; F58-V91 HydrophobicContact CE2-CB 4.24Å; F58-V91 HydrophobicContact CE2-CG2 3.5Å; F58-V91 VanDerWaalsContact CE2-CG2 3.5Å; F58-V91 HydrophobicContact CG-CG2 3.91Å; F58-V91 HydrophobicContact CZ-CB 4.48Å; F58-V91 HydrophobicContact CZ-CG2 4.2Å |
| 59 | V | 94.4 | Very high | 85.9 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.1 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | R46 H70 V71 V72 | R46-V59 HydrophobicContact CG-CB 4.18Å; R46-V59 PolarHBondContact N-O 2.93Å; R46-V59 PolarHBondContact O-N 3.31Å; V59-H70 HydrophobicContact CG1-CB 3.91Å; V59-V71 WeakPolarHBondContact CA-O 3.34Å; V59-V72 HydrophobicContact CG2-CG2 4.33Å |
| 60 | I | 96.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 120.3 | 166.2 | -46.9 | -175.1 | 0 | 0 | 0 | 107.2 | F43 I45 L62 H70 V71 I73 L83 L94 V105 I113 | F43-I60 HydrophobicContact CB-CG2 4.37Å; F43-I60 HydrophobicContact CD2-CG2 4.42Å; I45-I60 HydrophobicContact CD1-CB 4.13Å; I45-I60 HydrophobicContact CD1-CG1 3.75Å; I45-I60 HydrophobicContact CD1-CG2 4.07Å; I60-L62 HydrophobicContact CG2-CD2 4.47Å; I60-H70 CarbonylContact O-C 3.53Å; I60-H70 WeakPolarHBondContact O-CA 3.44Å; I60-V71 HydrophobicContact CB-CB 4.43Å; I60-V71 PolarHBondContact N-O 2.82Å; I60-V71 PolarHBondContact O-N 2.84Å; I60-I73 HydrophobicContact CD1-CD1 4.21Å; I60-I73 HydrophobicContact CD1-CG1 4.23Å; I60-I73 HydrophobicContact CG1-CD1 3.84Å; I60-I73 HydrophobicContact CG1-CG1 3.86Å; I60-L83 HydrophobicContact CD1-CD1 3.93Å; I60-L94 HydrophobicContact CD1-CD2 4.36Å; I60-V105 HydrophobicContact CD1-CG1 4.2Å; I60-I113 HydrophobicContact CG2-CG2 4.06Å |
| 61 | S | 97.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.4 | 170.1 | -54.5 | 0 | 0 | 0 | 0 | 108 | F43 L44 R46 F69 H70 | F43-S61 CarbonylContact C-O 3.57Å; F43-S61 VanDerWaalsContact CA-O 3.26Å; F43-S61 WeakPolarHBondContact CA-O 3.32Å; L44-S61 PolarHBondContact N-O 2.9Å; L44-S61 PolarHBondContact O-N 3.25Å; R46-S61 PolarHBondContact NE-OG 3.46Å; S61-F69 WeakPolarHBondContact CA-O 3.31Å; S61-H70 VanDerWaalsContact CB-ND1 3.34Å; S61-H70 WeakPolarHBondContact CB-ND1 3.48Å; S61-H70 PolarHBondContact OG-ND1 2.83Å |
| 62 | L | 97.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.1 | -176.9 | 72.8 | 154.3 | 0 | 0 | 0 | 111.8 | Q42 F43 I60 V68 F69 V71 V105 L111 F112 I113 | Q42-L62 VanDerWaalsContact O-CA 3.26Å; Q42-L62 WeakPolarHBondContact O-CA 3.41Å; Q42-L62 WeakPolarHBondContact O-CB 3.18Å; F43-L62 HydrophobicContact CB-CB 3.85Å; I60-L62 HydrophobicContact CG2-CD2 4.47Å; L62-V68 WeakPolarHBondContact O-CA 3.44Å; L62-V68 WeakPolarHBondContact O-CG1 3.38Å; L62-F69 HydrophobicContact CD2-CB 3.98Å; L62-F69 HydrophobicContact CG-CB 4.41Å; L62-F69 PolarHBondContact N-O 2.85Å; L62-F69 PolarHBondContact O-N 2.91Å; L62-V71 HydrophobicContact CD2-CG2 4.13Å; L62-V105 HydrophobicContact CD1-CG2 4.25Å; L62-V105 HydrophobicContact CD2-CG2 4.14Å; L62-L111 HydrophobicContact CD1-CB 4.14Å; L62-F112 WeakPolarHBondContact CD1-O 3.43Å; L62-I113 HydrophobicContact CB-CG2 4.1Å; L62-I113 HydrophobicContact CD1-CG2 3.83Å; L62-I113 HydrophobicContact CG-CG2 4.42Å |
| 63 | R | 96.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 40 Ų | 40 | 28% | 0.279 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128 | 166.2 | 177.6 | 173.9 | -62.1 | -86.1 | -0.8 | 110.1 | L37 E38 R39 G41 Q42 V68 | L37-R63 HydrophobicContact CB-CB 4.08Å; L37-R63 VanDerWaalsContact O-CZ 3.24Å; L37-R63 PolarHBondContact O-NE 2.89Å; L37-R63 PolarHBondContact O-NH2 3.02Å; E38-R63 WeakPolarHBondContact O-CD 3.47Å; R39-R63 WeakPolarHBondContact O-CB 3.08Å; G41-R63 PolarHBondContact N-O 2.97Å; Q42-R63 PolarHBondContact O-N 2.99Å; R63-V68 HydrophobicContact CB-CG2 4.37Å |
| 64 | S | 93.5 | Very high | 91.2 | Very high | 18 Ų | 18 | 36 Ų | 36 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 177.6 | 164.9 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | N40 N66 G67 | N40-S64 VanDerWaalsContact OD1-C 3.32Å; N40-S64 VanDerWaalsContact OD1-CA 3.28Å; N40-S64 WeakPolarHBondContact OD1-CA 3.49Å; S64-N66 PolarHBondContact O-N 3.41Å; S64-G67 PolarHBondContact N-O 2.86Å; S64-G67 PolarHBondContact O-N 2.79Å |
| 65 | Q | 89.8 | Confident | 92.1 | Very high | 159 Ų | 159 | 35.2 Ų | 35.2 | 74% | 0.743 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -38.5 | 169.2 | -58.8 | 178 | 5.7 | 0 | 0 | 110.9 | N40 G67 | N40-Q65 PolarHBondContact OD1-N 2.99Å; N40-Q65 VanDerWaalsContact OD1-N 3.13Å; Q65-G67 PolarHBondContact O-N 2.66Å |
| 66 | N | 87.5 | Confident | 92.6 | Very high | 131 Ų | 131 | 36.6 Ų | 36.6 | 70% | 0.701 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 24.8 | -177.5 | -60 | -8.6 | 0 | 0 | 0 | 113.7 | S64 F69 | S64-N66 PolarHBondContact O-N 3.41Å; N66-F69 HydrophobicContact CB-CE2 4.07Å; N66-F69 HydrophobicContact CB-CZ 4.02Å |
| 67 | G | 92.4 | Very high | 92.5 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.1 | -160.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S64 Q65 F69 | S64-G67 PolarHBondContact N-O 2.86Å; S64-G67 PolarHBondContact O-N 2.79Å; Q65-G67 PolarHBondContact O-N 2.66Å; G67-F69 WeakPolarHBondContact O-CD2 3.36Å |
| 68 | V | 94.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.8 | -176.3 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | E34 L37 L62 R63 | E34-V68 HydrophobicContact CB-CG1 4.48Å; E34-V68 HydrophobicContact CB-CG2 4.47Å; E34-V68 HydrophobicContact CG-CB 4.05Å; E34-V68 HydrophobicContact CG-CG1 3.79Å; E34-V68 HydrophobicContact CG-CG2 4.43Å; L37-V68 HydrophobicContact CD1-CG1 3.8Å; L62-V68 WeakPolarHBondContact O-CA 3.44Å; L62-V68 WeakPolarHBondContact O-CG1 3.38Å; R63-V68 HydrophobicContact CB-CG2 4.37Å |
| 69 | F | 96.1 | Very high | 92.1 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.8 | -178.2 | -67.8 | -97.9 | 0 | 0 | 0 | 110.6 | S61 L62 N66 G67 L111 | S61-F69 WeakPolarHBondContact CA-O 3.31Å; L62-F69 HydrophobicContact CD2-CB 3.98Å; L62-F69 HydrophobicContact CG-CB 4.41Å; L62-F69 PolarHBondContact N-O 2.85Å; L62-F69 PolarHBondContact O-N 2.91Å; N66-F69 HydrophobicContact CB-CE2 4.07Å; N66-F69 HydrophobicContact CB-CZ 4.02Å; G67-F69 WeakPolarHBondContact O-CD2 3.36Å; F69-L111 HydrophobicContact CB-CD1 3.84Å; F69-L111 HydrophobicContact CB-CD2 4.26Å; F69-L111 HydrophobicContact CD1-CD1 3.71Å; F69-L111 HydrophobicContact CD1-CD2 3.93Å; F69-L111 HydrophobicContact CD1-CG 4.45Å; F69-L111 HydrophobicContact CD2-CD2 3.65Å; F69-L111 HydrophobicContact CE1-CD1 4.48Å; F69-L111 HydrophobicContact CE1-CD2 4.19Å; F69-L111 HydrophobicContact CE2-CD2 3.96Å; F69-L111 HydrophobicContact CG-CD1 3.8Å; F69-L111 HydrophobicContact CG-CD2 3.66Å; F69-L111 HydrophobicContact CG-CG 4.42Å; F69-L111 HydrophobicContact CZ-CD2 4.22Å |
| 70 | H | 94.9 | Very high | 91.9 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 112.5 | 177.6 | -54.9 | -74.5 | 0 | 0 | 0 | 109.9 | R30 E34 V59 I60 S61 | R30-H70 VanDerWaalsContact CZ-CD2 3.45Å; R30-H70 PolarHBondContact NE-CD2 3.19Å; R30-H70 PolarHBondContact NE-NE2 2.68Å; E34-H70 IonicContact OE1-NE2 2.77Å; E34-H70 PolarHBondContact OE1-NE2 2.91Å; E34-H70 VanDerWaalsContact OE1-NE2 3.16Å; V59-H70 HydrophobicContact CG1-CB 3.91Å; I60-H70 CarbonylContact O-C 3.53Å; I60-H70 WeakPolarHBondContact O-CA 3.44Å; S61-H70 VanDerWaalsContact CB-ND1 3.34Å; S61-H70 WeakPolarHBondContact CB-ND1 3.48Å; S61-H70 PolarHBondContact OG-ND1 2.83Å |
| 71 | V | 94.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 67.2 Ų | 67.2 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.3 | -177.8 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | V59 I60 L62 L83 V105 L111 | V59-V71 WeakPolarHBondContact CA-O 3.34Å; I60-V71 HydrophobicContact CB-CB 4.43Å; I60-V71 PolarHBondContact N-O 2.82Å; I60-V71 PolarHBondContact O-N 2.84Å; L62-V71 HydrophobicContact CD2-CG2 4.13Å; V71-L83 HydrophobicContact CG1-CD2 3.69Å; V71-V105 WeakPolarHBondContact CG1-O 3.3Å; V71-V105 HydrophobicContact CG2-CG2 3.96Å; V71-L111 HydrophobicContact CG2-CD1 4.23Å |
| 72 | V | 93 | Very high | 91.7 | Very high | 58 Ų | 58 | 68.6 Ų | 68.6 | 35% | 0.352 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 127.8 | 177.3 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | A55 V59 | A55-V72 HydrophobicContact CB-CG1 3.7Å; V59-V72 HydrophobicContact CG2-CG2 4.33Å |
| 73 | I | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 128.3 | 173.6 | -59.3 | -178.6 | 0 | 0 | 0 | 108.3 | S56 F58 I60 Y81 L83 V91 L94 | S56-I73 WeakPolarHBondContact CA-O 3.36Å; S56-I73 WeakPolarHBondContact CB-O 3.34Å; S56-I73 PolarHBondContact N-O 3.46Å; S56-I73 PolarHBondContact OG-O 2.82Å; F58-I73 HydrophobicContact CB-CB 4.24Å; F58-I73 HydrophobicContact CB-CD1 4Å; F58-I73 HydrophobicContact CB-CG1 4.37Å; F58-I73 PolarHBondContact O-N 2.95Å; I60-I73 HydrophobicContact CD1-CD1 4.21Å; I60-I73 HydrophobicContact CD1-CG1 4.23Å; I60-I73 HydrophobicContact CG1-CD1 3.84Å; I60-I73 HydrophobicContact CG1-CG1 3.86Å; I73-Y81 HydrophobicContact CG2-CD1 4.09Å; I73-Y81 HydrophobicContact CG2-CG 4.39Å; I73-L83 HydrophobicContact CG1-CD2 4.18Å; I73-V91 HydrophobicContact CD1-CB 4.4Å; I73-V91 HydrophobicContact CD1-CG1 3.57Å; I73-V91 HydrophobicContact CD1-CG2 3.9Å; I73-V91 HydrophobicContact CG2-CG2 4.41Å; I73-L94 HydrophobicContact CD1-CD2 4.43Å; I73-L94 HydrophobicContact CG2-CD1 3.79Å |
| 74 | L | 92.2 | Very high | 91.1 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 152.8 | 178.2 | -58.5 | -179.6 | 0 | 0 | 0 | 110.9 | Y81 H82 | L74-Y81 WeakPolarHBondContact O-CA 3.37Å; L74-H82 WeakPolarHBondContact CB-NE2 3.42Å; L74-H82 PolarHBondContact N-O 2.84Å; L74-H82 PolarHBondContact O-CD2 3.24Å; L74-H82 PolarHBondContact O-N 2.78Å |
| 75 | Q | 88.7 | Confident | 90.8 | Very high | 43 Ų | 43 | 68.1 Ų | 68.1 | 20% | 0.201 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.9 | 175.3 | -176.8 | 169.9 | 58.7 | 0 | 0 | 111.4 | A54 K79 K80 Y81 | A54-Q75 PolarHBondContact O-N 3.24Å; Q75-K79 PolarHBondContact NE2-O 2.91Å; Q75-K80 WeakPolarHBondContact CA-O 3.46Å; Q75-Y81 HydrophobicContact CB-CD1 4.26Å; Q75-Y81 HydrophobicContact CB-CE1 4.42Å; Q75-Y81 HydrophobicContact CG-CD1 4.42Å; Q75-Y81 HydrophobicContact CG-CE1 4.35Å; Q75-Y81 VanDerWaalsContact NE2-CE1 3.28Å; Q75-Y81 PolarHBondContact NE2-OH 2.96Å |
| 76 | T | 88.3 | Confident | 90.9 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 23% | 0.227 | 33% | 0.332 | C | S | . | . | trans | -66.6 | 159.5 | 174.4 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | K78 K79 K80 H87 | T76-K78 PolarHBondContact O-N 2.96Å; T76-K78 VanDerWaalsContact O-N 3.07Å; T76-K79 WeakPolarHBondContact O-CA 3.35Å; T76-K79 PolarHBondContact O-N 3.45Å; T76-K80 PolarHBondContact N-O 2.82Å; T76-K80 WeakPolarHBondContact OG1-CB 3.48Å; T76-K80 PolarHBondContact OG1-N 3.06Å; T76-K80 VanDerWaalsContact OG1-N 3.09Å; T76-K80 PolarHBondContact OG1-O 2.86Å; T76-K80 VanDerWaalsContact OG1-O 3.04Å; T76-H87 VanDerWaalsContact CG2-CD2 3.42Å; T76-H87 WeakPolarHBondContact CG2-CD2 3.43Å | ||
| 77 | H | 84.5 | Confident | 91.2 | Very high | 202 Ų | 202 | 61.6 Ų | 61.6 | 94% | 0.935 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -28.7 | 170.7 | -57.1 | -79.1 | 0 | 0 | 0 | 113.3 | K79 | H77-K79 PolarHBondContact O-N 3.19Š|
| 78 | K | 84.9 | Confident | 91.4 | Very high | 188 Ų | 188 | 61.7 Ų | 61.7 | 82% | 0.817 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 19 | 173.3 | -63.8 | -175 | 178.1 | 179.7 | 0 | 113.4 | T76 K80 | T76-K78 PolarHBondContact O-N 2.96Å; T76-K78 VanDerWaalsContact O-N 3.07Å; K78-K80 PolarHBondContact O-N 2.77Å |
| 79 | K | 84.4 | Confident | 91.3 | Very high | 161 Ų | 161 | 69.7 Ų | 69.7 | 70% | 0.7 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 59 | 7.1 | 179.1 | -61.9 | 179.8 | -179.4 | 175.3 | 0 | 116.6 | Q75 T76 H77 | Q75-K79 PolarHBondContact NE2-O 2.91Å; T76-K79 WeakPolarHBondContact O-CA 3.35Å; T76-K79 PolarHBondContact O-N 3.45Å; H77-K79 PolarHBondContact O-N 3.19Å |
| 80 | K | 91 | Very high | 91.2 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 40% | 0.4 | 34% | 0.335 | S | S | . | . | trans | -76.6 | 140.8 | 174.9 | -63.4 | -170.8 | 179.9 | -172.2 | 0 | 112.1 | Q75 T76 K78 H87 F88 | Q75-K80 WeakPolarHBondContact CA-O 3.46Å; T76-K80 PolarHBondContact N-O 2.82Å; T76-K80 WeakPolarHBondContact OG1-CB 3.48Å; T76-K80 PolarHBondContact OG1-N 3.06Å; T76-K80 VanDerWaalsContact OG1-N 3.09Å; T76-K80 PolarHBondContact OG1-O 2.86Å; T76-K80 VanDerWaalsContact OG1-O 3.04Å; K78-K80 PolarHBondContact O-N 2.77Å; K80-H87 HydrophobicContact CB-CB 4.06Å; K80-H87 HydrophobicContact CD-CB 3.8Å; K80-F88 CarbonylContact C-O 3.55Å; K80-F88 WeakPolarHBondContact CA-O 3.46Å; K80-F88 VanDerWaalsContact CB-O 3.24Å; K80-F88 WeakPolarHBondContact CB-O 3.34Å | ||
| 81 | Y | 93.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 66 Ų | 66 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 145.1 | 178.5 | -57.7 | -72.5 | 0 | 0 | 0 | 112.2 | F58 I73 L74 Q75 H87 F88 V91 | F58-Y81 HydrophobicContact CD2-CD1 4.48Å; F58-Y81 AromaticContact CD2-CE1 3.92Å; F58-Y81 HydrophobicContact CD2-CE1 3.92Å; F58-Y81 AromaticContact CE2-CE1 3.99Å; F58-Y81 HydrophobicContact CE2-CE1 3.99Å; F58-Y81 AromaticContact CE2-CZ 3.87Å; I73-Y81 HydrophobicContact CG2-CD1 4.09Å; I73-Y81 HydrophobicContact CG2-CG 4.39Å; L74-Y81 WeakPolarHBondContact O-CA 3.37Å; Q75-Y81 HydrophobicContact CB-CD1 4.26Å; Q75-Y81 HydrophobicContact CB-CE1 4.42Å; Q75-Y81 HydrophobicContact CG-CD1 4.42Å; Q75-Y81 HydrophobicContact CG-CE1 4.35Å; Q75-Y81 VanDerWaalsContact NE2-CE1 3.28Å; Q75-Y81 PolarHBondContact NE2-OH 2.96Å; Y81-H87 WeakPolarHBondContact O-CA 3.38Å; Y81-F88 PolarHBondContact N-O 2.93Å; Y81-F88 PolarHBondContact O-N 2.81Å; Y81-V91 HydrophobicContact CD1-CG2 3.92Å; Y81-V91 HydrophobicContact CD2-CG2 3.9Å; Y81-V91 HydrophobicContact CE1-CG2 4.19Å; Y81-V91 HydrophobicContact CE2-CG2 4.16Å; Y81-V91 HydrophobicContact CG-CG2 3.77Å |
| 82 | H | 94.2 | Very high | 91.1 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 165.3 | 178.3 | 65.9 | 134.7 | 0 | 0 | 0 | 112.7 | L74 P86 H87 | L74-H82 WeakPolarHBondContact CB-NE2 3.42Å; L74-H82 PolarHBondContact N-O 2.84Å; L74-H82 PolarHBondContact O-CD2 3.24Å; L74-H82 PolarHBondContact O-N 2.78Å; H82-P86 VanDerWaalsContact CB-O 3.27Å; H82-P86 WeakPolarHBondContact CB-O 3.42Å; H82-H87 AromaticContact CD2-CD2 3.9Å; H82-H87 AromaticContact CE1-NE2 3.71Å; H82-H87 AromaticContact CG-CD2 3.51Å; H82-H87 AromaticContact CG-NE2 3.69Å; H82-H87 AromaticContact ND1-CD2 3.71Å; H82-H87 AromaticContact ND1-NE2 3.35Å; H82-H87 PolarHBondContact ND1-NE2 3.37Å |
| 83 | L | 93.6 | Very high | 91.2 | Very high | 19 Ų | 19 | 66.9 Ų | 66.9 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -116.2 | 45.8 | 170.3 | -64.8 | 172 | 0 | 0 | 0 | 110.2 | I60 V71 I73 G85 L94 Y98 V105 | I60-L83 HydrophobicContact CD1-CD1 3.93Å; V71-L83 HydrophobicContact CG1-CD2 3.69Å; I73-L83 HydrophobicContact CG1-CD2 4.18Å; L83-G85 PolarHBondContact O-N 2.98Å; L83-L94 HydrophobicContact CD1-CD2 3.91Å; L83-L94 HydrophobicContact CG-CD1 4.44Å; L83-L94 HydrophobicContact CG-CD2 4.21Å; L83-Y98 HydrophobicContact CB-CE1 4.48Å; L83-Y98 HydrophobicContact CD1-CD1 4.25Å; L83-Y98 HydrophobicContact CD1-CD2 4.37Å; L83-Y98 HydrophobicContact CD1-CE1 4.01Å; L83-Y98 HydrophobicContact CD1-CE2 4.15Å; L83-Y98 HydrophobicContact CD1-CG 4.44Å; L83-V105 HydrophobicContact CD1-CB 3.78Å; L83-V105 HydrophobicContact CD1-CG1 3.86Å |
| 84 | G | 87.5 | Confident | 91.4 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 69.8 | 10.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K107 | G84-K107 VanDerWaalsContact O-CE 3.23Å; G84-K107 WeakPolarHBondContact O-CE 3.48Å; G84-K107 PolarHBondContact O-NZ 3.26Å |
| 85 | G | 87.8 | Confident | 91.6 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -122.5 | -133.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L83 | L83-G85 PolarHBondContact O-N 2.98Š|
| 86 | P | 91.9 | Very high | 91.9 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -62 | 156.7 | -179.8 | 23.4 | -32.1 | 0 | 0 | 0 | 113.8 | H82 F88 | H82-P86 VanDerWaalsContact CB-O 3.27Å; H82-P86 WeakPolarHBondContact CB-O 3.42Å; P86-F88 HydrophobicContact CB-CE2 4.01Å; P86-F88 HydrophobicContact CB-CZ 3.85Å; P86-F88 HydrophobicContact CG-CE2 3.85Å; P86-F88 HydrophobicContact CG-CZ 3.71Å; P86-F88 VanDerWaalsContact O-CE2 3.27Å; P86-F88 WeakPolarHBondContact O-CE2 3.24Å |
| 87 | H | 94.6 | Very high | 92.3 | Very high | 94 Ų | 94 | 66.2 Ų | 66.2 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | trans | -116.3 | 115.6 | -168.4 | -62.6 | 96.3 | 0 | 0 | 0 | 113 | T76 K80 Y81 H82 | T76-H87 VanDerWaalsContact CG2-CD2 3.42Å; T76-H87 WeakPolarHBondContact CG2-CD2 3.43Å; K80-H87 HydrophobicContact CB-CB 4.06Å; K80-H87 HydrophobicContact CD-CB 3.8Å; Y81-H87 WeakPolarHBondContact O-CA 3.38Å; H82-H87 AromaticContact CD2-CD2 3.9Å; H82-H87 AromaticContact CE1-NE2 3.71Å; H82-H87 AromaticContact CG-CD2 3.51Å; H82-H87 AromaticContact CG-NE2 3.69Å; H82-H87 AromaticContact ND1-CD2 3.71Å; H82-H87 AromaticContact ND1-NE2 3.35Å; H82-H87 PolarHBondContact ND1-NE2 3.37Å | ||
| 88 | F | 95.8 | Very high | 92.8 | Very high | 25 Ų | 25 | 57.1 Ų | 57.1 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -106.1 | 158.5 | -171.8 | -56 | -82.4 | 0 | 0 | 0 | 112.8 | K80 Y81 P86 E93 L94 H97 Y98 | K80-F88 CarbonylContact C-O 3.55Å; K80-F88 WeakPolarHBondContact CA-O 3.46Å; K80-F88 VanDerWaalsContact CB-O 3.24Å; K80-F88 WeakPolarHBondContact CB-O 3.34Å; Y81-F88 PolarHBondContact N-O 2.93Å; Y81-F88 PolarHBondContact O-N 2.81Å; P86-F88 HydrophobicContact CB-CE2 4.01Å; P86-F88 HydrophobicContact CB-CZ 3.85Å; P86-F88 HydrophobicContact CG-CE2 3.85Å; P86-F88 HydrophobicContact CG-CZ 3.71Å; P86-F88 VanDerWaalsContact O-CE2 3.27Å; P86-F88 WeakPolarHBondContact O-CE2 3.24Å; F88-E93 HydrophobicContact CB-CB 3.9Å; F88-E93 HydrophobicContact CD1-CB 3.89Å; F88-E93 HydrophobicContact CG-CB 4.21Å; F88-L94 HydrophobicContact CB-CB 4.12Å; F88-L94 HydrophobicContact CD2-CB 3.59Å; F88-L94 HydrophobicContact CD2-CD1 4.07Å; F88-L94 HydrophobicContact CD2-CG 3.74Å; F88-L94 HydrophobicContact CE2-CB 4.26Å; F88-L94 HydrophobicContact CE2-CG 4.12Å; F88-L94 HydrophobicContact CG-CB 3.91Å; F88-H97 HydrophobicContact CE1-CB 3.65Å; F88-H97 AromaticContact CE1-CG 3.77Å; F88-H97 AromaticContact CE1-ND1 3.97Å; F88-H97 HydrophobicContact CE2-CB 4.47Å; F88-H97 HydrophobicContact CZ-CB 3.56Å; F88-H97 AromaticContact CZ-CD2 3.62Å; F88-H97 AromaticContact CZ-CG 3.4Å; F88-H97 VanDerWaalsContact CZ-CG 3.4Å; F88-H97 AromaticContact CZ-ND1 3.84Å; F88-Y98 HydrophobicContact CE2-CE2 4.19Å |
| 89 | R | 92.2 | Very high | 93.3 | Very high | 200 Ų | 200 | 50.5 Ų | 50.5 | 76% | 0.755 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -82.7 | -31 | 177 | -60.8 | 177.2 | 177.2 | 177.2 | -0.8 | 112.2 | E93 | R89-E93 WeakPolarHBondContact CB-OE2 3.34Å; R89-E93 PolarHBondContact N-OE2 3.05Å |
| 90 | T | 93.5 | Very high | 93.8 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -128 | 156.7 | 178.9 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | D16 P17 N92 E93 L94 | D16-T90 VanDerWaalsContact OD2-CA 3.26Å; D16-T90 WeakPolarHBondContact OD2-CA 3.48Å; D16-T90 WeakPolarHBondContact OD2-CB 3.24Å; P17-T90 HydrophobicContact CG-CG2 4.3Å; T90-N92 VanDerWaalsContact C-N 3.26Å; T90-E93 WeakPolarHBondContact CB-OE1 3.29Å; T90-E93 WeakPolarHBondContact CG2-OE1 3.18Å; T90-E93 PolarHBondContact N-OE1 3.35Å; T90-E93 PolarHBondContact O-N 2.66Å; T90-E93 VanDerWaalsContact OG1-CG 3.27Å; T90-E93 WeakPolarHBondContact OG1-CG 3.42Å; T90-E93 PolarHBondContact OG1-N 2.92Å; T90-E93 VanDerWaalsContact OG1-N 3.1Å; T90-E93 PolarHBondContact OG1-OE1 3.45Å; T90-L94 PolarHBondContact O-N 3.04Å |
| 91 | V | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.5 | -29.6 | 171 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | D16 I18 I45 F58 I73 Y81 L94 V95 | D16-V91 PolarHBondContact OD2-N 3.47Å; I18-V91 HydrophobicContact CB-CB 4.38Å; I18-V91 HydrophobicContact CB-CG1 4.47Å; I18-V91 HydrophobicContact CD1-CG1 4.05Å; I18-V91 HydrophobicContact CG1-CB 4.39Å; I18-V91 HydrophobicContact CG1-CG1 3.94Å; I18-V91 HydrophobicContact CG2-CB 4.5Å; I45-V91 HydrophobicContact CG2-CG1 4.37Å; F58-V91 HydrophobicContact CB-CG2 4.38Å; F58-V91 HydrophobicContact CD2-CB 4.36Å; F58-V91 HydrophobicContact CD2-CG2 3.34Å; F58-V91 HydrophobicContact CE2-CB 4.24Å; F58-V91 HydrophobicContact CE2-CG2 3.5Å; F58-V91 VanDerWaalsContact CE2-CG2 3.5Å; F58-V91 HydrophobicContact CG-CG2 3.91Å; F58-V91 HydrophobicContact CZ-CB 4.48Å; F58-V91 HydrophobicContact CZ-CG2 4.2Å; I73-V91 HydrophobicContact CD1-CB 4.4Å; I73-V91 HydrophobicContact CD1-CG1 3.57Å; I73-V91 HydrophobicContact CD1-CG2 3.9Å; I73-V91 HydrophobicContact CG2-CG2 4.41Å; Y81-V91 HydrophobicContact CD1-CG2 3.92Å; Y81-V91 HydrophobicContact CD2-CG2 3.9Å; Y81-V91 HydrophobicContact CE1-CG2 4.19Å; Y81-V91 HydrophobicContact CE2-CG2 4.16Å; Y81-V91 HydrophobicContact CG-CG2 3.77Å; V91-L94 PolarHBondContact O-N 3.12Å; V91-V95 HydrophobicContact CG1-CG2 4.02Å; V91-V95 WeakPolarHBondContact O-CB 3.33Å; V91-V95 WeakPolarHBondContact O-CG2 3.3Å; V91-V95 PolarHBondContact O-N 3.23Å |
| 92 | N | 94.4 | Very high | 94 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 170.5 | 167.1 | 81.7 | 0 | 0 | 0 | 112.5 | P17 I18 K21 T90 L94 N96 | P17-N92 HydrophobicContact CB-CB 4.23Å; I18-N92 HydrophobicContact CD1-CB 4.38Å; K21-N92 WeakPolarHBondContact CE-OD1 3.35Å; K21-N92 PolarHBondContact NZ-OD1 2.8Å; T90-N92 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 3.27Å; N92-N96 PolarHBondContact ND2-ND2 3.34Å; N92-N96 WeakPolarHBondContact O-CB 3.42Å; N92-N96 PolarHBondContact O-N 3.02Å; N92-N96 PolarHBondContact O-ND2 3.11Å; N92-N96 PolarHBondContact OD1-ND2 2.73Å |
| 93 | E | 95.4 | Very high | 94 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 173.6 | -77.2 | 152.4 | -122.3 | 0 | 0 | 112.3 | F88 R89 T90 N96 H97 | F88-E93 HydrophobicContact CB-CB 3.9Å; F88-E93 HydrophobicContact CD1-CB 3.89Å; F88-E93 HydrophobicContact CG-CB 4.21Å; R89-E93 WeakPolarHBondContact CB-OE2 3.34Å; R89-E93 PolarHBondContact N-OE2 3.05Å; T90-E93 WeakPolarHBondContact CB-OE1 3.29Å; T90-E93 WeakPolarHBondContact CG2-OE1 3.18Å; T90-E93 PolarHBondContact N-OE1 3.35Å; T90-E93 PolarHBondContact O-N 2.66Å; T90-E93 VanDerWaalsContact OG1-CG 3.27Å; T90-E93 WeakPolarHBondContact OG1-CG 3.42Å; T90-E93 PolarHBondContact OG1-N 2.92Å; T90-E93 VanDerWaalsContact OG1-N 3.1Å; T90-E93 PolarHBondContact OG1-OE1 3.45Å; E93-N96 PolarHBondContact O-N 3.07Å; E93-H97 WeakPolarHBondContact O-CB 3.33Å; E93-H97 PolarHBondContact O-N 3.09Å |
| 94 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.7 | -52.9 | 179.6 | -174.9 | 160.3 | 0 | 0 | 0 | 111.1 | I60 I73 L83 F88 T90 V91 N92 N96 H97 Y98 | I60-L94 HydrophobicContact CD1-CD2 4.36Å; I73-L94 HydrophobicContact CD1-CD2 4.43Å; I73-L94 HydrophobicContact CG2-CD1 3.79Å; L83-L94 HydrophobicContact CD1-CD2 3.91Å; L83-L94 HydrophobicContact CG-CD1 4.44Å; L83-L94 HydrophobicContact CG-CD2 4.21Å; F88-L94 HydrophobicContact CB-CB 4.12Å; F88-L94 HydrophobicContact CD2-CB 3.59Å; F88-L94 HydrophobicContact CD2-CD1 4.07Å; F88-L94 HydrophobicContact CD2-CG 3.74Å; F88-L94 HydrophobicContact CE2-CB 4.26Å; F88-L94 HydrophobicContact CE2-CG 4.12Å; F88-L94 HydrophobicContact CG-CB 3.91Å; T90-L94 PolarHBondContact O-N 3.04Å; V91-L94 PolarHBondContact O-N 3.12Å; N92-L94 PolarHBondContact O-N 3.27Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 2.7Å; L94-H97 WeakPolarHBondContact O-CB 3.14Å; L94-H97 PolarHBondContact O-N 2.81Å; L94-H97 VanDerWaalsContact O-N 3.17Å; L94-Y98 HydrophobicContact CD2-CD2 4.05Å; L94-Y98 HydrophobicContact CD2-CE2 4.33Å; L94-Y98 HydrophobicContact CG-CD2 4.33Å; L94-Y98 HydrophobicContact CG-CE2 4.3Å; L94-Y98 WeakPolarHBondContact O-CD2 3.45Å; L94-Y98 PolarHBondContact O-N 3.29Å; L94-Y98 VanDerWaalsContact O-N 3.1Å |
| 95 | V | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 179.8 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | I18 F23 F43 I45 V91 H97 Y98 V99 I113 | I18-V95 HydrophobicContact CD1-CG2 4.44Å; F23-V95 HydrophobicContact CE2-CG1 4.11Å; F23-V95 HydrophobicContact CZ-CG1 4.19Å; F43-V95 HydrophobicContact CE2-CG1 3.59Å; F43-V95 HydrophobicContact CZ-CG1 3.55Å; I45-V95 HydrophobicContact CD1-CG2 3.77Å; I45-V95 HydrophobicContact CG1-CG2 4.21Å; V91-V95 HydrophobicContact CG1-CG2 4.02Å; V91-V95 WeakPolarHBondContact O-CB 3.33Å; V91-V95 WeakPolarHBondContact O-CG2 3.3Å; V91-V95 PolarHBondContact O-N 3.23Å; V95-H97 VanDerWaalsContact C-N 3.31Å; V95-H97 PolarHBondContact O-N 3.38Å; V95-Y98 PolarHBondContact O-N 2.89Å; V95-V99 HydrophobicContact CG1-CG2 4.31Å; V95-V99 WeakPolarHBondContact O-CB 3.14Å; V95-V99 VanDerWaalsContact O-CG2 3.31Å; V95-V99 WeakPolarHBondContact O-CG2 3.31Å; V95-V99 PolarHBondContact O-N 2.84Å; V95-I113 HydrophobicContact CG1-CD1 4.49Å |
| 96 | N | 95.1 | Very high | 94.6 | Very high | 68 Ų | 68 | 54 Ų | 54 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 178.1 | -64.8 | -28.4 | 0 | 0 | 0 | 111.5 | N92 E93 L94 T100 | N92-N96 PolarHBondContact ND2-ND2 3.34Å; N92-N96 WeakPolarHBondContact O-CB 3.42Å; N92-N96 PolarHBondContact O-N 3.02Å; N92-N96 PolarHBondContact O-ND2 3.11Å; N92-N96 PolarHBondContact OD1-ND2 2.73Å; E93-N96 PolarHBondContact O-N 3.07Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 2.7Å; N96-T100 VanDerWaalsContact O-CB 3.22Å; N96-T100 WeakPolarHBondContact O-CB 3.45Å; N96-T100 PolarHBondContact O-N 2.89Å; N96-T100 PolarHBondContact O-OG1 3.28Å; N96-T100 VanDerWaalsContact O-OG1 3.05Å |
| 97 | H | 96.4 | Very high | 94.3 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 177.6 | -179.6 | 92.4 | 0 | 0 | 0 | 112.6 | F88 E93 L94 V95 K101 | F88-H97 HydrophobicContact CE1-CB 3.65Å; F88-H97 AromaticContact CE1-CG 3.77Å; F88-H97 AromaticContact CE1-ND1 3.97Å; F88-H97 HydrophobicContact CE2-CB 4.47Å; F88-H97 HydrophobicContact CZ-CB 3.56Å; F88-H97 AromaticContact CZ-CD2 3.62Å; F88-H97 AromaticContact CZ-CG 3.4Å; F88-H97 VanDerWaalsContact CZ-CG 3.4Å; F88-H97 AromaticContact CZ-ND1 3.84Å; E93-H97 WeakPolarHBondContact O-CB 3.33Å; E93-H97 PolarHBondContact O-N 3.09Å; L94-H97 WeakPolarHBondContact O-CB 3.14Å; L94-H97 PolarHBondContact O-N 2.81Å; L94-H97 VanDerWaalsContact O-N 3.17Å; V95-H97 VanDerWaalsContact C-N 3.31Å; V95-H97 PolarHBondContact O-N 3.38Å; H97-K101 VanDerWaalsContact O-CB 3.28Å; H97-K101 WeakPolarHBondContact O-CB 3.26Å; H97-K101 WeakPolarHBondContact O-CG 3.45Å; H97-K101 PolarHBondContact O-N 3.29Å |
| 98 | Y | 96.5 | Very high | 94 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | -177.7 | -81 | -102.5 | 0 | 0 | 0 | 112 | L83 F88 L94 V95 G102 L103 S104 V105 | L83-Y98 HydrophobicContact CB-CE1 4.48Å; L83-Y98 HydrophobicContact CD1-CD1 4.25Å; L83-Y98 HydrophobicContact CD1-CD2 4.37Å; L83-Y98 HydrophobicContact CD1-CE1 4.01Å; L83-Y98 HydrophobicContact CD1-CE2 4.15Å; L83-Y98 HydrophobicContact CD1-CG 4.44Å; F88-Y98 HydrophobicContact CE2-CE2 4.19Å; L94-Y98 HydrophobicContact CD2-CD2 4.05Å; L94-Y98 HydrophobicContact CD2-CE2 4.33Å; L94-Y98 HydrophobicContact CG-CD2 4.33Å; L94-Y98 HydrophobicContact CG-CE2 4.3Å; L94-Y98 WeakPolarHBondContact O-CD2 3.45Å; L94-Y98 PolarHBondContact O-N 3.29Å; L94-Y98 VanDerWaalsContact O-N 3.1Å; V95-Y98 PolarHBondContact O-N 2.89Å; Y98-G102 PolarHBondContact O-N 3.29Å; Y98-L103 HydrophobicContact CD1-CB 3.71Å; Y98-L103 HydrophobicContact CE1-CB 4.08Å; Y98-L103 HydrophobicContact CG-CB 4.4Å; Y98-L103 PolarHBondContact O-N 2.77Å; Y98-L103 VanDerWaalsContact O-N 3.12Å; Y98-S104 VanDerWaalsContact CE1-O 3.29Å; Y98-S104 WeakPolarHBondContact CE1-O 3.46Å; Y98-V105 HydrophobicContact CD1-CG1 3.91Å; Y98-V105 HydrophobicContact CG-CG1 4.29Å |
| 99 | V | 95.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 63.2 Ų | 63.2 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -53.3 | 174 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | F43 V95 K101 G102 I113 | F43-V99 HydrophobicContact CE1-CG2 3.85Å; F43-V99 HydrophobicContact CZ-CG2 4.01Å; V95-V99 HydrophobicContact CG1-CG2 4.31Å; V95-V99 WeakPolarHBondContact O-CB 3.14Å; V95-V99 VanDerWaalsContact O-CG2 3.31Å; V95-V99 WeakPolarHBondContact O-CG2 3.31Å; V95-V99 PolarHBondContact O-N 2.84Å; V99-K101 VanDerWaalsContact C-N 3.3Å; V99-K101 PolarHBondContact O-N 3.25Å; V99-G102 PolarHBondContact O-N 3.1Å; V99-I113 HydrophobicContact CG2-CB 4.4Å; V99-I113 HydrophobicContact CG2-CD1 3.81Å; V99-I113 HydrophobicContact CG2-CG1 3.78Å |
| 100 | T | 95 | Very high | 93.6 | Very high | 117 Ų | 117 | 57 Ų | 57 | 72% | 0.718 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -69.2 | -24.3 | -175.9 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | N96 | N96-T100 VanDerWaalsContact O-CB 3.22Å; N96-T100 WeakPolarHBondContact O-CB 3.45Å; N96-T100 PolarHBondContact O-N 2.89Å; N96-T100 PolarHBondContact O-OG1 3.28Å; N96-T100 VanDerWaalsContact O-OG1 3.05Å |
| 101 | K | 94.6 | Very high | 93.7 | Very high | 146 Ų | 146 | 56.1 Ų | 56.1 | 64% | 0.635 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -97.9 | -2.7 | 176.4 | -67.2 | -64 | -169.7 | 178.4 | 0 | 114.4 | H97 V99 L103 | H97-K101 VanDerWaalsContact O-CB 3.28Å; H97-K101 WeakPolarHBondContact O-CB 3.26Å; H97-K101 WeakPolarHBondContact O-CG 3.45Å; H97-K101 PolarHBondContact O-N 3.29Å; V99-K101 VanDerWaalsContact C-N 3.3Å; V99-K101 PolarHBondContact O-N 3.25Å; K101-L103 HydrophobicContact CB-CD1 3.82Å; K101-L103 HydrophobicContact CB-CG 3.69Å; K101-L103 PolarHBondContact O-N 3.08Å |
| 102 | G | 92.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 60.9 Ų | 60.9 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 30.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y98 V99 F112 | Y98-G102 PolarHBondContact O-N 3.29Å; V99-G102 PolarHBondContact O-N 3.1Å; G102-F112 WeakPolarHBondContact O-CD1 3.36Å; G102-F112 WeakPolarHBondContact O-CE1 3.38Å |
| 103 | L | 94.1 | Very high | 93.8 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 38% | 0.377 | 33% | 0.33 | S | S | . | . | trans | -85.9 | 146.6 | -174.4 | -65.1 | 174.8 | 0 | 0 | 0 | 111.5 | Y98 K101 | Y98-L103 HydrophobicContact CD1-CB 3.71Å; Y98-L103 HydrophobicContact CE1-CB 4.08Å; Y98-L103 HydrophobicContact CG-CB 4.4Å; Y98-L103 PolarHBondContact O-N 2.77Å; Y98-L103 VanDerWaalsContact O-N 3.12Å; K101-L103 HydrophobicContact CB-CD1 3.82Å; K101-L103 HydrophobicContact CB-CG 3.69Å; K101-L103 PolarHBondContact O-N 3.08Å | ||
| 104 | S | 95 | Very high | 93.8 | Very high | 33 Ų | 33 | 60.7 Ų | 60.7 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 133 | 173.4 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | Y98 S106 V109 L111 | Y98-S104 VanDerWaalsContact CE1-O 3.29Å; Y98-S104 WeakPolarHBondContact CE1-O 3.46Å; S104-S106 WeakPolarHBondContact CB-O 3.32Å; S104-S106 PolarHBondContact O-N 3.33Å; S104-S106 PolarHBondContact OG-N 3.27Å; S104-S106 PolarHBondContact OG-O 3.41Å; S104-V109 PolarHBondContact OG-O 2.77Å; S104-V109 VanDerWaalsContact OG-O 3.12Å; S104-L111 CarbonylContact C-O 3.59Å; S104-L111 WeakPolarHBondContact CA-O 3.48Å; S104-L111 PolarHBondContact OG-N 2.76Å; S104-L111 PolarHBondContact OG-O 3.27Å |
| 105 | V | 94.6 | Very high | 93.6 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -77.8 | -6.2 | 176.6 | -66.2 | 0 | 0 | 0 | 0 | 113.5 | I60 L62 V71 L83 Y98 L111 I113 | I60-V105 HydrophobicContact CD1-CG1 4.2Å; L62-V105 HydrophobicContact CD1-CG2 4.25Å; L62-V105 HydrophobicContact CD2-CG2 4.14Å; V71-V105 WeakPolarHBondContact CG1-O 3.3Å; V71-V105 HydrophobicContact CG2-CG2 3.96Å; L83-V105 HydrophobicContact CD1-CB 3.78Å; L83-V105 HydrophobicContact CD1-CG1 3.86Å; Y98-V105 HydrophobicContact CD1-CG1 3.91Å; Y98-V105 HydrophobicContact CG-CG1 4.29Å; V105-L111 HydrophobicContact CG2-CB 3.8Å; V105-L111 VanDerWaalsContact CG2-O 3.31Å; V105-L111 WeakPolarHBondContact CG2-O 3.33Å; V105-L111 PolarHBondContact N-O 3.18Å; V105-I113 HydrophobicContact CG1-CD1 3.9Å; V105-I113 HydrophobicContact CG1-CG1 3.87Å; V105-I113 HydrophobicContact CG1-CG2 4.11Å; V105-I113 HydrophobicContact CG2-CG2 4.5Å |
| 106 | S | 92.2 | Very high | 93.6 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | trans | -127.3 | 155.5 | 172.1 | 179.8 | 0 | 0 | 0 | 0 | 111 | S104 D108 V109 | S104-S106 WeakPolarHBondContact CB-O 3.32Å; S104-S106 PolarHBondContact O-N 3.33Å; S104-S106 PolarHBondContact OG-N 3.27Å; S104-S106 PolarHBondContact OG-O 3.41Å; S106-D108 PolarHBondContact OG-N 3.31Å; S106-V109 WeakPolarHBondContact CB-O 3.35Å | ||
| 107 | K | 87.1 | Confident | 93.5 | Very high | 160 Ų | 160 | 62.5 Ų | 62.5 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -86.2 | -33 | 174.5 | -65.5 | -171.4 | 177.9 | -173.8 | 0 | 112.4 | G84 | G84-K107 VanDerWaalsContact O-CE 3.23Å; G84-K107 WeakPolarHBondContact O-CE 3.48Å; G84-K107 PolarHBondContact O-NZ 3.26Å |
| 108 | D | 87.1 | Confident | 93.1 | Very high | 150 Ų | 150 | 67.1 Ų | 67.1 | 80% | 0.802 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -94.9 | -19 | -168.2 | -35.7 | -72.6 | 0 | 0 | 0 | 112.4 | S106 | S106-D108 PolarHBondContact OG-N 3.31Š|
| 109 | V | 88.2 | Confident | 92.1 | Very high | 62 Ų | 62 | 70 Ų | 70 | 38% | 0.376 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -139.3 | 134.7 | -179.1 | -174 | 0 | 0 | 0 | 0 | 109.2 | S104 S106 L111 | S104-V109 PolarHBondContact OG-O 2.77Å; S104-V109 VanDerWaalsContact OG-O 3.12Å; S106-V109 WeakPolarHBondContact CB-O 3.35Å; V109-L111 HydrophobicContact CB-CD1 4.33Å; V109-L111 HydrophobicContact CB-CG 4.03Å; V109-L111 HydrophobicContact CG1-CD1 4.45Å; V109-L111 HydrophobicContact CG1-CD2 3.9Å; V109-L111 HydrophobicContact CG1-CG 3.83Å; V109-L111 PolarHBondContact O-N 2.9Å |
| 110 | A | 92.1 | Very high | 91.3 | Very high | 70 Ų | 70 | 69.2 Ų | 69.2 | 58% | 0.579 | 38% | 0.376 | S | S | * | . | trans | -70.8 | 86.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F112 | A110-F112 HydrophobicContact CB-CE2 3.91Å; A110-F112 HydrophobicContact CB-CZ 4.37Å | ||
| 111 | L | 95.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | trans | -116.5 | 112.5 | -175.1 | -68.5 | -177.7 | 0 | 0 | 0 | 109.5 | L62 F69 V71 S104 V105 V109 | L62-L111 HydrophobicContact CD1-CB 4.14Å; F69-L111 HydrophobicContact CB-CD1 3.84Å; F69-L111 HydrophobicContact CB-CD2 4.26Å; F69-L111 HydrophobicContact CD1-CD1 3.71Å; F69-L111 HydrophobicContact CD1-CD2 3.93Å; F69-L111 HydrophobicContact CD1-CG 4.45Å; F69-L111 HydrophobicContact CD2-CD2 3.65Å; F69-L111 HydrophobicContact CE1-CD1 4.48Å; F69-L111 HydrophobicContact CE1-CD2 4.19Å; F69-L111 HydrophobicContact CE2-CD2 3.96Å; F69-L111 HydrophobicContact CG-CD1 3.8Å; F69-L111 HydrophobicContact CG-CD2 3.66Å; F69-L111 HydrophobicContact CG-CG 4.42Å; F69-L111 HydrophobicContact CZ-CD2 4.22Å; V71-L111 HydrophobicContact CG2-CD1 4.23Å; S104-L111 CarbonylContact C-O 3.59Å; S104-L111 WeakPolarHBondContact CA-O 3.48Å; S104-L111 PolarHBondContact OG-N 2.76Å; S104-L111 PolarHBondContact OG-O 3.27Å; V105-L111 HydrophobicContact CG2-CB 3.8Å; V105-L111 VanDerWaalsContact CG2-O 3.31Å; V105-L111 WeakPolarHBondContact CG2-O 3.33Å; V105-L111 PolarHBondContact N-O 3.18Å; V109-L111 HydrophobicContact CB-CD1 4.33Å; V109-L111 HydrophobicContact CB-CG 4.03Å; V109-L111 HydrophobicContact CG1-CD1 4.45Å; V109-L111 HydrophobicContact CG1-CD2 3.9Å; V109-L111 HydrophobicContact CG1-CG 3.83Å; V109-L111 PolarHBondContact O-N 2.9Å | ||
| 112 | F | 95.4 | Very high | 90.3 | Very high | 100 Ų | 100 | 63.5 Ų | 63.5 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -113.5 | 144.3 | -175.7 | -57.6 | -83.7 | 0 | 0 | 0 | 111.7 | L62 G102 A110 | L62-F112 WeakPolarHBondContact CD1-O 3.43Å; G102-F112 WeakPolarHBondContact O-CD1 3.36Å; G102-F112 WeakPolarHBondContact O-CE1 3.38Å; A110-F112 HydrophobicContact CB-CE2 3.91Å; A110-F112 HydrophobicContact CB-CZ 4.37Å |
| 113 | I | 96 | Very high | 90.1 | Very high | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -110.9 | 129.5 | 174.5 | 55.9 | 170.9 | 0 | 0 | 0 | 110.5 | F43 I60 L62 V95 V99 V105 | F43-I113 HydrophobicContact CB-CB 4.28Å; F43-I113 HydrophobicContact CB-CG2 3.75Å; F43-I113 HydrophobicContact CD1-CB 3.61Å; F43-I113 HydrophobicContact CD1-CG2 4.07Å; F43-I113 HydrophobicContact CE1-CB 4.06Å; F43-I113 HydrophobicContact CG-CB 3.96Å; F43-I113 HydrophobicContact CG-CG2 3.91Å; I60-I113 HydrophobicContact CG2-CG2 4.06Å; L62-I113 HydrophobicContact CB-CG2 4.1Å; L62-I113 HydrophobicContact CD1-CG2 3.83Å; L62-I113 HydrophobicContact CG-CG2 4.42Å; V95-I113 HydrophobicContact CG1-CD1 4.49Å; V99-I113 HydrophobicContact CG2-CB 4.4Å; V99-I113 HydrophobicContact CG2-CD1 3.81Å; V99-I113 HydrophobicContact CG2-CG1 3.78Å; V105-I113 HydrophobicContact CG1-CD1 3.9Å; V105-I113 HydrophobicContact CG1-CG1 3.87Å; V105-I113 HydrophobicContact CG1-CG2 4.11Å; V105-I113 HydrophobicContact CG2-CG2 4.5Å | ||
| 114 | T | 93.8 | Very high | 89.8 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | trans | -125.7 | -58.6 | -172.2 | 60 | 0 | 0 | 0 | 0 | 112.8 | G41 | G41-T114 VanDerWaalsContact C-OG1 3.28Å; G41-T114 WeakPolarHBondContact CA-OG1 3.18Å; G41-T114 PolarHBondContact O-N 3.09Å; G41-T114 PolarHBondContact O-OG1 2.76Å; G41-T114 VanDerWaalsContact O-OG1 3.12Å | ||
| 115 | E | 93.5 | Very high | 89.4 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.1 | 178.8 | -167.9 | -175.6 | 178.9 | 0 | 0 | 110.6 | Q42 F43 K118 | Q42-E115 CarbonylContact C-O 3.48Å; Q42-E115 VanDerWaalsContact CA-O 3.28Å; Q42-E115 WeakPolarHBondContact CA-O 3.33Å; F43-E115 WeakPolarHBondContact CD1-O 3.03Å; F43-E115 PolarHBondContact N-O 2.92Å; E115-K118 VanDerWaalsContact OE1-CE 3.23Å; E115-K118 WeakPolarHBondContact OE1-CE 3.47Å; E115-K118 IonicContact OE1-NZ 3.6Å |
| 116 | G | 94.7 | Very high | 89 | Confident | 17 Ų | 17 | 61 Ų | 61 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F43 | F43-G116 CarbonylContact O-C 3.55Å; F43-G116 VanDerWaalsContact O-CA 3.3Å; F43-G116 WeakPolarHBondContact O-CA 3.39Å |
| 117 | I | 93.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 147.9 | -178.3 | 69.8 | 166.7 | 0 | 0 | 0 | 112.7 | K22 F23 L36 L37 Q42 F43 L44 V120 | K22-I117 CarbonylContact C-O 3.55Å; F23-I117 HydrophobicContact CB-CG1 4.06Å; L36-I117 HydrophobicContact CB-CD1 4.4Å; L36-I117 HydrophobicContact CD1-CD1 4.06Å; L37-I117 HydrophobicContact CD2-CG2 3.88Å; Q42-I117 HydrophobicContact CG-CG2 3.9Å; F43-I117 PolarHBondContact O-N 2.93Å; L44-I117 HydrophobicContact CB-CD1 3.97Å; L44-I117 HydrophobicContact CB-CG1 3.96Å; L44-I117 HydrophobicContact CB-CG2 4.32Å; L44-I117 HydrophobicContact CD2-CD1 3.99Å; I117-V120 HydrophobicContact CD1-CG2 4.12Å |
| 118 | K | 87.4 | Confident | 88.4 | Confident | 153 Ų | 153 | 57.5 Ų | 57.5 | 67% | 0.665 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 144.1 | 171.1 | -66.8 | 170.8 | -173.5 | 167.4 | 0 | 108.5 | E115 V120 | E115-K118 VanDerWaalsContact OE1-CE 3.23Å; E115-K118 WeakPolarHBondContact OE1-CE 3.47Å; E115-K118 IonicContact OE1-NZ 3.6Å; K118-V120 PolarHBondContact O-N 3.24Å; K118-V120 VanDerWaalsContact O-N 3.12Å |
| 119 | R | 75.9 | Confident | 88.3 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 120.1 | -178.6 | 179.6 | 174 | 174.2 | -175.7 | -4.2 | 109 | K22 I123 D128 | K22-R119 HydrophobicContact CB-CB 3.79Å; K22-R119 HydrophobicContact CD-CB 4.13Å; K22-R119 HydrophobicContact CG-CB 3.88Å; K22-R119 WeakPolarHBondContact O-CA 3.47Å; R119-I123 PolarHBondContact NE-O 2.82Å; R119-I123 PolarHBondContact NH2-O 2.98Å; R119-D128 IonicContact CZ-OD1 2.7Å; R119-D128 IonicContact CZ-OD2 2.97Å; R119-D128 VanDerWaalsContact CZ-OD2 3.29Å; R119-D128 IonicContact NH1-OD1 3.15Å; R119-D128 PolarHBondContact NH1-OD1 3.3Å; R119-D128 IonicContact NH1-OD2 2.91Å; R119-D128 PolarHBondContact NH1-OD2 3.15Å; R119-D128 VanDerWaalsContact NH1-OD2 3.11Å; R119-D128 IonicContact NH2-OD1 2.74Å; R119-D128 IonicContact NH2-OD2 3.86Å; R119-D128 PolarHBondContact NH2-OD2 3.08Å |
| 120 | V | 80 | Confident | 88.3 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 132 | 178.8 | -160.4 | 0 | 0 | 0 | 0 | 108.4 | L36 I117 K118 W122 I123 | L36-V120 HydrophobicContact CD1-CG2 4.02Å; L36-V120 HydrophobicContact CD2-CG1 4.38Å; L36-V120 HydrophobicContact CD2-CG2 3.85Å; I117-V120 HydrophobicContact CD1-CG2 4.12Å; K118-V120 PolarHBondContact O-N 3.24Å; K118-V120 VanDerWaalsContact O-N 3.12Å; V120-W122 VanDerWaalsContact C-N 3.27Å; V120-W122 HydrophobicContact CG1-CD2 4.22Å; V120-W122 HydrophobicContact CG1-CG 4.24Å; V120-W122 HydrophobicContact CG1-CZ2 4.09Å; V120-W122 PolarHBondContact O-N 2.93Å; V120-I123 HydrophobicContact CB-CD1 4.25Å; V120-I123 HydrophobicContact CB-CG1 4.25Å; V120-I123 HydrophobicContact CG2-CD1 4.24Å; V120-I123 PolarHBondContact O-N 2.86Å |
| 121 | S | 79.3 | Confident | 87.9 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 72% | 0.72 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -34 | -171 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | I123 | S121-I123 VanDerWaalsContact C-N 3.31Å; S121-I123 PolarHBondContact O-N 2.84Å |
| 122 | W | 87.7 | Confident | 87.3 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -1.9 | 177.3 | 56.2 | -98.4 | 0 | 0 | 0 | 114.6 | L28 L36 V120 R186 F196 G198 I199 | L28-W122 HydrophobicContact CD1-CH2 4.34Å; L28-W122 HydrophobicContact CD1-CZ3 4.39Å; L36-W122 HydrophobicContact CD1-CH2 4.34Å; L36-W122 HydrophobicContact CD1-CZ2 4.48Å; L36-W122 HydrophobicContact CD2-CZ2 4.02Å; V120-W122 VanDerWaalsContact C-N 3.27Å; V120-W122 HydrophobicContact CG1-CD2 4.22Å; V120-W122 HydrophobicContact CG1-CG 4.24Å; V120-W122 HydrophobicContact CG1-CZ2 4.09Å; V120-W122 PolarHBondContact O-N 2.93Å; W122-R186 VanDerWaalsContact CH2-NH1 3.3Å; W122-F196 HydrophobicContact CB-CE1 3.7Å; W122-F196 HydrophobicContact CB-CZ 4.25Å; W122-F196 HydrophobicContact CG-CE1 4.46Å; W122-G198 CarbonylContact O-C 3.53Å; W122-G198 WeakPolarHBondContact O-CA 3.38Å; W122-I199 HydrophobicContact CE3-CD1 4.09Å; W122-I199 HydrophobicContact CE3-CG1 4.13Å; W122-I199 HydrophobicContact CZ3-CD1 3.9Å; W122-I199 HydrophobicContact CZ3-CG1 4.36Å; W122-I199 PolarHBondContact O-N 3.03Å |
| 123 | I | 89.7 | Confident | 86.6 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.2 | 169.9 | -59.1 | -179.1 | 0 | 0 | 0 | 108.1 | C25 L28 L36 R119 V120 S121 | C25-I123 HydrophobicContact CB-CD1 4.33Å; L28-I123 HydrophobicContact CD1-CD1 4.46Å; L36-I123 HydrophobicContact CD1-CD1 4Å; R119-I123 PolarHBondContact NE-O 2.82Å; R119-I123 PolarHBondContact NH2-O 2.98Å; V120-I123 HydrophobicContact CB-CD1 4.25Å; V120-I123 HydrophobicContact CB-CG1 4.25Å; V120-I123 HydrophobicContact CG2-CD1 4.24Å; V120-I123 PolarHBondContact O-N 2.86Å; S121-I123 VanDerWaalsContact C-N 3.31Å; S121-I123 PolarHBondContact O-N 2.84Å |
| 124 | L | 88.3 | Confident | 85.8 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 146.3 | 177.8 | -60.5 | 174.4 | 0 | 0 | 0 | 109.4 | I129 I199 V200 V209 | L124-I129 HydrophobicContact CD1-CD1 4.46Å; L124-I199 PolarHBondContact N-O 3.06Å; L124-V200 HydrophobicContact CB-CG2 3.88Å; L124-V200 WeakPolarHBondContact O-CA 3.49Å; L124-V209 HydrophobicContact CD1-CB 3.95Å; L124-V209 HydrophobicContact CD1-CG1 4.03Å; L124-V209 HydrophobicContact CD1-CG2 3.77Å |
| 125 | H | 85.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | trans | -96.5 | 157.4 | 167.1 | -61.4 | -93.9 | 0 | 0 | 0 | 109 | R19 E127 D128 D202 | R19-H125 PolarHBondContact O-CE1 3.02Å; R19-H125 VanDerWaalsContact O-CE1 3.24Å; R19-H125 PolarHBondContact O-ND1 2.84Å; H125-E127 HydrophobicContact CB-CG 4.06Å; H125-E127 PolarHBondContact O-N 3.28Å; H125-E127 VanDerWaalsContact O-N 3.16Å; H125-D128 WeakPolarHBondContact CB-OD2 3.29Å; H125-D128 IonicContact CD2-OD2 2.67Å; H125-D128 PolarHBondContact N-OD2 3.49Å; H125-D128 PolarHBondContact O-N 2.81Å; H125-D202 WeakPolarHBondContact CA-OD1 3.49Å; H125-D202 IonicContact ND1-OD2 2.71Å | ||
| 126 | D | 85.5 | Confident | 83.6 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -57.3 | -27.7 | 174.3 | -146.9 | 53.9 | 0 | 0 | 0 | 112.2 | D128 I129 V200 D202 V203 K207 | D126-D128 VanDerWaalsContact C-N 3.31Å; D126-D128 PolarHBondContact O-N 2.89Å; D126-I129 PolarHBondContact O-N 3.41Å; D126-V200 HydrophobicContact CB-CG1 4.17Å; D126-D202 PolarHBondContact N-OD1 2.83Å; D126-V203 HydrophobicContact CB-CG1 3.94Å; D126-V203 HydrophobicContact CB-CG2 3.83Å; D126-V203 VanDerWaalsContact CG-CG2 3.41Å; D126-V203 WeakPolarHBondContact OD1-CG2 3.48Å; D126-K207 WeakPolarHBondContact OD1-CE 3.42Å; D126-K207 IonicContact OD1-NZ 3.42Å; D126-K207 PolarHBondContact OD1-NZ 2.82Å |
| 127 | E | 83.1 | Confident | 82.4 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -75.9 | -9 | 175.9 | 67.8 | 177.1 | -161.6 | 0 | 0 | 115 | K20 H125 | K20-E127 IonicContact NZ-OE1 3.57Å; K20-E127 IonicContact NZ-OE2 3.74Å; K20-E127 PolarHBondContact NZ-OE2 2.87Å; H125-E127 HydrophobicContact CB-CG 4.06Å; H125-E127 PolarHBondContact O-N 3.28Å; H125-E127 VanDerWaalsContact O-N 3.16Å |
| 128 | D | 83.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -90.7 | 5.6 | 171.8 | -49 | -81.4 | 0 | 0 | 0 | 112.5 | R119 H125 D126 L148 V149 S151 | R119-D128 IonicContact CZ-OD1 2.7Å; R119-D128 IonicContact CZ-OD2 2.97Å; R119-D128 VanDerWaalsContact CZ-OD2 3.29Å; R119-D128 IonicContact NH1-OD1 3.15Å; R119-D128 PolarHBondContact NH1-OD1 3.3Å; R119-D128 IonicContact NH1-OD2 2.91Å; R119-D128 PolarHBondContact NH1-OD2 3.15Å; R119-D128 VanDerWaalsContact NH1-OD2 3.11Å; R119-D128 IonicContact NH2-OD1 2.74Å; R119-D128 IonicContact NH2-OD2 3.86Å; R119-D128 PolarHBondContact NH2-OD2 3.08Å; H125-D128 WeakPolarHBondContact CB-OD2 3.29Å; H125-D128 IonicContact CD2-OD2 2.67Å; H125-D128 PolarHBondContact N-OD2 3.49Å; H125-D128 PolarHBondContact O-N 2.81Å; D126-D128 VanDerWaalsContact C-N 3.31Å; D126-D128 PolarHBondContact O-N 2.89Å; D128-L148 CarbonylContact O-C 3.58Å; D128-L148 WeakPolarHBondContact O-CA 3.41Å; D128-V149 PolarHBondContact O-N 2.68Å; D128-S151 PolarHBondContact OD1-OG 3.38Å |
| 129 | I | 86.6 | Confident | 79.7 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 120.9 | -172.4 | -54.2 | -164.1 | 0 | 0 | 0 | 112.5 | L124 D126 V146 L148 V200 V209 | L124-I129 HydrophobicContact CD1-CD1 4.46Å; D126-I129 PolarHBondContact O-N 3.41Å; I129-V146 HydrophobicContact CG2-CB 3.6Å; I129-V146 HydrophobicContact CG2-CG1 3.67Å; I129-V146 HydrophobicContact CG2-CG2 3.73Å; I129-L148 HydrophobicContact CD1-CD2 4.13Å; I129-L148 HydrophobicContact CG1-CD2 3.87Å; I129-V200 HydrophobicContact CD1-CG2 3.43Å; I129-V200 VanDerWaalsContact CD1-CG2 3.43Å; I129-V200 HydrophobicContact CG1-CG2 4.33Å; I129-V209 HydrophobicContact CD1-CG2 3.65Å |
| 130 | E | 87.3 | Confident | 79 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 111.3 | 174.7 | -169.3 | 166.4 | -175.8 | 0 | 0 | 110.4 | V146 E147 V149 | E130-V146 CarbonylContact O-C 3.55Å; E130-V146 VanDerWaalsContact O-CA 3.25Å; E130-V146 WeakPolarHBondContact O-CA 3.45Å; E130-V146 WeakPolarHBondContact O-CB 3.41Å; E130-E147 PolarHBondContact N-O 2.83Å; E130-E147 PolarHBondContact O-N 3.22Å; E130-V149 HydrophobicContact CB-CG2 4.15Å |
| 131 | P | 85 | Confident | 78.4 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 139.4 | -178 | 30.1 | -34.2 | 0 | 0 | 0 | 112.6 | W144 | P131-W144 HydrophobicContact CB-CE3 4.28Å |
| 132 | I | 82.4 | Confident | 78.6 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -56.6 | -175.2 | -56 | 174.1 | 0 | 0 | 0 | 111.4 | K145 E147 | I132-K145 HydrophobicContact CB-CG 4.48Å; I132-K145 WeakPolarHBondContact CB-O 3.27Å; I132-K145 HydrophobicContact CD1-CG 4.36Å; I132-K145 PolarHBondContact N-O 3.46Å; I132-E147 HydrophobicContact CD1-CB 4.13Å; I132-E147 HydrophobicContact CD1-CG 3.72Å; I132-E147 WeakPolarHBondContact CD1-OE1 3.44Å |
| 133 | E | 80.2 | Confident | 78.4 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 29% | 0.285 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 144.2 | -174.3 | 58.8 | -169.5 | 147.6 | 0 | 0 | 111.6 | M135 K145 I231 | E133-M135 HydrophobicContact CG-SD 4.03Å; E133-M135 PolarHBondContact O-N 2.83Å; E133-K145 HydrophobicContact CG-CB 3.99Å; E133-K145 HydrophobicContact CG-CD 4.03Å; E133-K145 HydrophobicContact CG-CG 4.41Å; E133-K145 PolarHBondContact N-O 3.2Å; E133-K145 PolarHBondContact O-N 2.79Å; E133-K145 VanDerWaalsContact OE1-CD 3.3Å; E133-K145 WeakPolarHBondContact OE1-CD 3.16Å; E133-K145 WeakPolarHBondContact OE1-CE 3.36Å; E133-K145 IonicContact OE1-NZ 2.69Å; E133-K145 PolarHBondContact OE1-NZ 2.88Å; E133-I231 WeakPolarHBondContact OE1-CD1 3.23Å; E133-I231 WeakPolarHBondContact OE2-CD1 3.27Å |
| 134 | K | 79.7 | Confident | 78.3 | Confident | 51 Ų | 51 | 57.1 Ų | 57.1 | 22% | 0.222 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.1 | 170.9 | -175.3 | 174.8 | 171.3 | 177.2 | 0 | 108.8 | G136 E137 E142 W144 M752 | K134-G136 WeakPolarHBondContact CE-O 3.47Å; K134-E137 IonicContact NZ-OE2 2.73Å; K134-E137 PolarHBondContact NZ-OE2 3.46Å; K134-E142 HydrophobicContact CD-CB 4.41Å; K134-E142 HydrophobicContact CD-CG 4.44Å; K134-E142 WeakPolarHBondContact CE-OE1 3.43Å; K134-E142 IonicContact NZ-OE1 2.66Å; K134-E142 PolarHBondContact NZ-OE1 2.88Å; K134-W144 HydrophobicContact CB-CD2 4.04Å; K134-W144 HydrophobicContact CB-CE3 4.17Å; K134-W144 HydrophobicContact CB-CH2 4.22Å; K134-W144 HydrophobicContact CB-CZ2 4.08Å; K134-W144 HydrophobicContact CB-CZ3 4.26Å; K134-W144 HydrophobicContact CD-CZ2 4.43Å; K134-M752 HydrophobicContact CD-CE 4.26Å; K134-M752 HydrophobicContact CD-SD 3.58Å; K134-M752 VanDerWaalsContact CD-SD 3.58Å; K134-M752 PolarHBondContact NZ-SD 2.78Å |
| 135 | M | 74 | Confident | 78.3 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 31% | 0.305 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -24.3 | -178.6 | -64.4 | -69.4 | -65.4 | 0 | 0 | 112.7 | E133 V143 K145 I231 | E133-M135 HydrophobicContact CG-SD 4.03Å; E133-M135 PolarHBondContact O-N 2.83Å; M135-V143 WeakPolarHBondContact CA-O 3.44Å; M135-V143 HydrophobicContact CB-CG1 4.42Å; M135-V143 WeakPolarHBondContact CB-O 3.33Å; M135-V143 PolarHBondContact N-O 2.77Å; M135-K145 HydrophobicContact CG-CB 3.53Å; M135-K145 HydrophobicContact SD-CB 3.81Å; M135-K145 HydrophobicContact SD-CD 4Å; M135-I231 HydrophobicContact CE-CG2 4.28Å |
| 136 | G | 67.7 | Low | 78.5 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -168.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K134 V143 | K134-G136 WeakPolarHBondContact CE-O 3.47Å; G136-V143 PolarHBondContact N-O 3.3Å; G136-V143 VanDerWaalsContact N-O 3.16Å; G136-V143 PolarHBondContact O-N 3Å |
| 137 | E | 68.6 | Low | 78.5 | Confident | 101 Ų | 101 | 55.7 Ų | 55.7 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 140.9 | 175.9 | -169.4 | 175 | 146.3 | 0 | 0 | 109.3 | K134 K166 | K134-E137 IonicContact NZ-OE2 2.73Å; K134-E137 PolarHBondContact NZ-OE2 3.46Å; E137-K166 VanDerWaalsContact OE1-CE 3.3Å; E137-K166 WeakPolarHBondContact OE1-CE 3.25Å; E137-K166 IonicContact OE1-NZ 2.79Å; E137-K166 PolarHBondContact OE1-NZ 3.05Å |
| 138 | G | 62.3 | Low | 78.6 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | -171.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | F140 G141 | G138-F140 PolarHBondContact O-N 2.98Å; G138-G141 PolarHBondContact N-O 2.77Å; G138-G141 PolarHBondContact O-N 3.23Å |
| 139 | H | 61.9 | Low | 78.2 | Confident | 155 Ų | 155 | 53.3 Ų | 53.3 | 72% | 0.718 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -52.4 | -172.5 | -172.8 | -100 | 0 | 0 | 0 | 113.4 | G141 | H139-G141 VanDerWaalsContact C-N 3.3Å; H139-G141 PolarHBondContact O-N 2.71Å |
| 140 | F | 60.5 | Low | 76.9 | Confident | 24 Ų | 24 | 55.3 Ų | 55.3 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.7 | -177.6 | -56.8 | -82.1 | 0 | 0 | 0 | 114.3 | G138 L165 K166 | G138-F140 PolarHBondContact O-N 2.98Å; F140-L165 HydrophobicContact CB-CD1 4.33Å; F140-L165 WeakPolarHBondContact O-CA 3.14Å; F140-K166 PolarHBondContact O-N 2.9Å; F140-K166 VanDerWaalsContact O-N 3.09Å |
| 141 | G | 69.1 | Low | 75 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.5 | -156.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G138 H139 V164 K166 | G138-G141 PolarHBondContact N-O 2.77Å; G138-G141 PolarHBondContact O-N 3.23Å; H139-G141 VanDerWaalsContact C-N 3.3Å; H139-G141 PolarHBondContact O-N 2.71Å; G141-V164 CarbonylContact C-O 3.54Å; G141-V164 WeakPolarHBondContact CA-O 3.49Å; G141-K166 VanDerWaalsContact CA-CG 3.46Å |
| 142 | E | 81.4 | Confident | 73 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 146.2 | -167.7 | -51.9 | -171.6 | 124.7 | 0 | 0 | 112.1 | K134 W144 K163 V164 | K134-E142 HydrophobicContact CD-CB 4.41Å; K134-E142 HydrophobicContact CD-CG 4.44Å; K134-E142 WeakPolarHBondContact CE-OE1 3.43Å; K134-E142 IonicContact NZ-OE1 2.66Å; K134-E142 PolarHBondContact NZ-OE1 2.88Å; E142-W144 PolarHBondContact OE2-NE1 3.34Å; E142-K163 CarbonylContact O-C 3.49Å; E142-K163 WeakPolarHBondContact O-CA 3.03Å; E142-V164 HydrophobicContact CB-CB 4.48Å; E142-V164 PolarHBondContact N-O 2.05Å; E142-V164 VanDerWaalsContact N-O 3.17Å; E142-V164 PolarHBondContact O-N 2.8Å |
| 143 | V | 83.9 | Confident | 70.8 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115 | 169.5 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | M135 G136 A161 V162 | M135-V143 WeakPolarHBondContact CA-O 3.44Å; M135-V143 HydrophobicContact CB-CG1 4.42Å; M135-V143 WeakPolarHBondContact CB-O 3.33Å; M135-V143 PolarHBondContact N-O 2.77Å; G136-V143 PolarHBondContact N-O 3.3Å; G136-V143 VanDerWaalsContact N-O 3.16Å; G136-V143 PolarHBondContact O-N 3Å; V143-A161 HydrophobicContact CG1-CB 4.39Å; V143-V162 WeakPolarHBondContact CA-O 3.45Å |
| 144 | W | 88.4 | Confident | 69 | Low | 79 Ų | 79 | 66.9 Ų | 66.9 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 149 | 177.2 | -71.6 | 78.5 | 0 | 0 | 0 | 111 | P131 K134 E142 V146 A161 V162 | P131-W144 HydrophobicContact CB-CE3 4.28Å; K134-W144 HydrophobicContact CB-CD2 4.04Å; K134-W144 HydrophobicContact CB-CE3 4.17Å; K134-W144 HydrophobicContact CB-CH2 4.22Å; K134-W144 HydrophobicContact CB-CZ2 4.08Å; K134-W144 HydrophobicContact CB-CZ3 4.26Å; K134-W144 HydrophobicContact CD-CZ2 4.43Å; E142-W144 PolarHBondContact OE2-NE1 3.34Å; W144-V146 HydrophobicContact CB-CG1 4.41Å; W144-A161 CarbonylContact O-C 3.54Å; W144-A161 WeakPolarHBondContact O-CA 3.08Å; W144-V162 PolarHBondContact N-O 2.88Å; W144-V162 PolarHBondContact O-N 3.46Å |
| 145 | K | 88.1 | Confident | 67.1 | Low | 23 Ų | 23 | 67.1 Ų | 67.1 | 10% | 0.1 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 137.4 | 164.2 | 166.7 | 176.7 | 159.9 | -162.6 | 0 | 108.9 | I132 E133 M135 A160 L212 | I132-K145 HydrophobicContact CB-CG 4.48Å; I132-K145 WeakPolarHBondContact CB-O 3.27Å; I132-K145 HydrophobicContact CD1-CG 4.36Å; I132-K145 PolarHBondContact N-O 3.46Å; E133-K145 HydrophobicContact CG-CB 3.99Å; E133-K145 HydrophobicContact CG-CD 4.03Å; E133-K145 HydrophobicContact CG-CG 4.41Å; E133-K145 PolarHBondContact N-O 3.2Å; E133-K145 PolarHBondContact O-N 2.79Å; E133-K145 VanDerWaalsContact OE1-CD 3.3Å; E133-K145 WeakPolarHBondContact OE1-CD 3.16Å; E133-K145 WeakPolarHBondContact OE1-CE 3.36Å; E133-K145 IonicContact OE1-NZ 2.69Å; E133-K145 PolarHBondContact OE1-NZ 2.88Å; M135-K145 HydrophobicContact CG-CB 3.53Å; M135-K145 HydrophobicContact SD-CB 3.81Å; M135-K145 HydrophobicContact SD-CD 4Å; K145-A160 WeakPolarHBondContact CA-O 3.27Å; K145-L212 HydrophobicContact CB-CD1 4.23Å; K145-L212 HydrophobicContact CD-CD1 4.13Å; K145-L212 HydrophobicContact CD-CD2 3.72Å; K145-L212 HydrophobicContact CG-CD1 4.09Å; K145-L212 HydrophobicContact CG-CD2 4.02Å |
| 146 | V | 88.9 | Confident | 65.8 | Low | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 160.5 | -173.9 | -48 | 0 | 0 | 0 | 0 | 110.9 | I129 E130 W144 L148 R159 A160 V162 | I129-V146 HydrophobicContact CG2-CB 3.6Å; I129-V146 HydrophobicContact CG2-CG1 3.67Å; I129-V146 HydrophobicContact CG2-CG2 3.73Å; E130-V146 CarbonylContact O-C 3.55Å; E130-V146 VanDerWaalsContact O-CA 3.25Å; E130-V146 WeakPolarHBondContact O-CA 3.45Å; E130-V146 WeakPolarHBondContact O-CB 3.41Å; W144-V146 HydrophobicContact CB-CG1 4.41Å; V146-L148 HydrophobicContact CG2-CD2 3.96Å; V146-R159 WeakPolarHBondContact O-CA 3.26Å; V146-A160 HydrophobicContact CG2-CB 3.72Å; V146-A160 PolarHBondContact N-O 3.35Å; V146-A160 PolarHBondContact O-N 3.42Å; V146-V162 HydrophobicContact CB-CG2 4.18Å; V146-V162 HydrophobicContact CG1-CB 4.01Å; V146-V162 HydrophobicContact CG1-CG2 3.51Å; V146-V162 HydrophobicContact CG2-CG2 3.5Å |
| 147 | E | 87.4 | Confident | 65.3 | Low | 38 Ų | 38 | 65.8 Ų | 65.8 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.4 | 160.6 | -90.7 | 156.4 | -154.6 | 0 | 0 | 109.4 | E130 I132 M157 R159 | E130-E147 PolarHBondContact N-O 2.83Å; E130-E147 PolarHBondContact O-N 3.22Å; I132-E147 HydrophobicContact CD1-CB 4.13Å; I132-E147 HydrophobicContact CD1-CG 3.72Å; I132-E147 WeakPolarHBondContact CD1-OE1 3.44Å; E147-M157 HydrophobicContact CB-CB 4.35Å; E147-M157 HydrophobicContact CB-CE 3.87Å; E147-M157 HydrophobicContact CG-CB 4.28Å; E147-M157 HydrophobicContact CG-CE 4.46Å; E147-M157 WeakPolarHBondContact OE2-CE 3.45Å; E147-R159 HydrophobicContact CG-CG 3.71Å; E147-R159 IonicContact OE1-CZ 3.12Å; E147-R159 IonicContact OE1-NE 2.71Å; E147-R159 PolarHBondContact OE1-NE 3.37Å; E147-R159 IonicContact OE1-NH2 2.95Å; E147-R159 PolarHBondContact OE1-NH2 2.92Å |
| 148 | L | 85.3 | Confident | 65.7 | Low | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 127.8 | 179.3 | -60.3 | -178.8 | 0 | 0 | 0 | 110 | D128 I129 V146 T158 A160 Y197 V209 | D128-L148 CarbonylContact O-C 3.58Å; D128-L148 WeakPolarHBondContact O-CA 3.41Å; I129-L148 HydrophobicContact CD1-CD2 4.13Å; I129-L148 HydrophobicContact CG1-CD2 3.87Å; V146-L148 HydrophobicContact CG2-CD2 3.96Å; L148-T158 PolarHBondContact N-O 2.98Å; L148-A160 HydrophobicContact CD1-CB 3.92Å; L148-A160 HydrophobicContact CD2-CB 4.15Å; L148-A160 HydrophobicContact CG-CB 3.92Å; L148-Y197 HydrophobicContact CD1-CD2 4.05Å; L148-V209 HydrophobicContact CD1-CG1 4.35Å; L148-V209 HydrophobicContact CD2-CG1 4.03Å |
| 149 | V | 73.6 | Confident | 66.9 | Low | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 91.8 | -173.5 | -175 | 0 | 0 | 0 | 0 | 109.5 | D128 E130 S151 | D128-V149 PolarHBondContact O-N 2.68Å; E130-V149 HydrophobicContact CB-CG2 4.15Å; V149-S151 PolarHBondContact O-N 3.33Å |
| 150 | T | 59.3 | Low | 68.2 | Low | 65 Ų | 65 | 59.1 Ų | 59.1 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | trans | -69 | 130.8 | 176.3 | 54.5 | 0 | 0 | 0 | 0 | 111 | S152 N156 | T150-S152 PolarHBondContact O-N 2.95Å; T150-N156 PolarHBondContact OG1-O 2.95Å | ||
| 151 | S | 48.1 | Very low | 69.6 | Low | 99 Ų | 99 | 58.4 Ų | 58.4 | 69% | 0.692 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 27 | -157.8 | -16.3 | 0 | 0 | 0 | 0 | 116.2 | D128 V149 | D128-S151 PolarHBondContact OD1-OG 3.38Å; V149-S151 PolarHBondContact O-N 3.33Å |
| 152 | S | 42.1 | Very low | 70.6 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 76% | 0.762 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.4 | -24.7 | -176.9 | 66.3 | 0 | 0 | 0 | 0 | 115.7 | T150 | T150-S152 PolarHBondContact O-N 2.95Š|
| 153 | R | 35.6 | Very low | 71 | Confident | 149 Ų | 149 | 57.3 Ų | 57.3 | 56% | 0.562 | 28% | 0.282 | S | S | * | . | trans | -153.5 | 141 | 172.8 | -66.1 | -174 | 177.2 | 172.1 | 1.3 | 112 | K155 E615 | R153-K155 HydrophobicContact CB-CB 4.02Å; R153-K155 HydrophobicContact CB-CG 4.43Å; R153-K155 PolarHBondContact O-N 2.9Å; R153-E615 IonicContact NH1-OE1 3.72Å; R153-E615 PolarHBondContact NH1-OE1 3.46Å; R153-E615 IonicContact NH1-OE2 2.67Å | ||
| 154 | R | 42.9 | Very low | 71.1 | Confident | 215 Ų | 215 | 55.9 Ų | 55.9 | 81% | 0.811 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 19.1 | 163.1 | -73.2 | -178.2 | 168.4 | 157.4 | -4.5 | 114.3 | Y618 | R154-Y618 WeakPolarHBondContact O-CE1 3.39Å; R154-Y618 PolarHBondContact O-OH 2.91Å |
| 155 | K | 40.3 | Very low | 70.6 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -11 | -174 | -74.5 | 179.3 | 108.7 | -69.6 | 0 | 114.4 | R153 E615 Y618 D619 | R153-K155 HydrophobicContact CB-CB 4.02Å; R153-K155 HydrophobicContact CB-CG 4.43Å; R153-K155 PolarHBondContact O-N 2.9Å; K155-E615 HydrophobicContact CB-CG 4.44Å; K155-E615 WeakPolarHBondContact CD-OE1 3.16Å; K155-E615 IonicContact NZ-OE1 3.61Å; K155-E615 PolarHBondContact NZ-OE1 2.84Å; K155-Y618 VanDerWaalsContact C-CE1 3.42Å; K155-Y618 WeakPolarHBondContact O-CD1 3.12Å; K155-Y618 WeakPolarHBondContact O-CE1 3.44Å; K155-D619 WeakPolarHBondContact CE-OD1 3.47Å; K155-D619 IonicContact NZ-OD1 3.56Å; K155-D619 PolarHBondContact NZ-OD1 2.86Å; K155-D619 IonicContact NZ-OD2 3.64Å; K155-D619 PolarHBondContact NZ-OD2 3.42Å |
| 156 | N | 45.9 | Very low | 69.8 | Low | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | trans | -133.1 | 85.8 | 175.9 | -69.2 | 50.6 | 0 | 0 | 0 | 108.5 | T150 D611 | T150-N156 PolarHBondContact OG1-O 2.95Å; N156-D611 WeakPolarHBondContact ND2-CA 3.45Å; N156-D611 WeakPolarHBondContact ND2-CB 3.21Å; N156-D611 PolarHBondContact ND2-O 3.42Å; N156-D611 PolarHBondContact ND2-OD1 3.47Å | ||
| 157 | M | 57.8 | Low | 68.5 | Low | 42 Ų | 42 | 58.3 Ų | 58.3 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 88.9 | 173 | -66.9 | 175 | 74.8 | 0 | 0 | 109.4 | E147 Y618 | E147-M157 HydrophobicContact CB-CB 4.35Å; E147-M157 HydrophobicContact CB-CE 3.87Å; E147-M157 HydrophobicContact CG-CB 4.28Å; E147-M157 HydrophobicContact CG-CE 4.46Å; E147-M157 WeakPolarHBondContact OE2-CE 3.45Å; M157-Y618 HydrophobicContact CB-CE2 3.95Å; M157-Y618 WeakPolarHBondContact CB-OH 3.15Å; M157-Y618 VanDerWaalsContact CG-OH 3.24Å; M157-Y618 WeakPolarHBondContact CG-OH 3.28Å; M157-Y618 PolarHBondContact SD-OH 3.14Å |
| 158 | T | 76.8 | Confident | 66.9 | Low | 37 Ų | 37 | 62.7 Ų | 62.7 | 23% | 0.227 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 133.4 | 177.9 | -48.7 | 0 | 0 | 0 | 0 | 110.1 | L148 Y197 | L148-T158 PolarHBondContact N-O 2.98Å; T158-Y197 HydrophobicContact CG2-CE2 4.31Å |
| 159 | R | 86.9 | Confident | 65.5 | Low | 121 Ų | 121 | 62.7 Ų | 62.7 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 128 | 175.7 | -80.6 | 177.5 | 175.9 | 168 | 5.1 | 112 | V146 E147 L212 | V146-R159 WeakPolarHBondContact O-CA 3.26Å; E147-R159 HydrophobicContact CG-CG 3.71Å; E147-R159 IonicContact OE1-CZ 3.12Å; E147-R159 IonicContact OE1-NE 2.71Å; E147-R159 PolarHBondContact OE1-NE 3.37Å; E147-R159 IonicContact OE1-NH2 2.95Å; E147-R159 PolarHBondContact OE1-NH2 2.92Å; R159-L212 HydrophobicContact CB-CB 4.27Å; R159-L212 HydrophobicContact CB-CD2 3.88Å |
| 160 | A | 89.9 | Confident | 64.5 | Low | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 162.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K145 V146 L148 Y197 V209 M210 | K145-A160 WeakPolarHBondContact CA-O 3.27Å; V146-A160 HydrophobicContact CG2-CB 3.72Å; V146-A160 PolarHBondContact N-O 3.35Å; V146-A160 PolarHBondContact O-N 3.42Å; L148-A160 HydrophobicContact CD1-CB 3.92Å; L148-A160 HydrophobicContact CD2-CB 4.15Å; L148-A160 HydrophobicContact CG-CB 3.92Å; A160-Y197 HydrophobicContact CB-CD2 3.83Å; A160-Y197 HydrophobicContact CB-CE2 4.01Å; A160-V209 HydrophobicContact CB-CG1 3.85Å; A160-M210 WeakPolarHBondContact CA-O 3.36Å; A160-M210 WeakPolarHBondContact CB-O 3.27Å |
| 161 | A | 90.2 | Very high | 64.7 | Low | 9 Ų | 9 | 63.1 Ų | 63.1 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | V143 W144 M210 L212 | V143-A161 HydrophobicContact CG1-CB 4.39Å; W144-A161 CarbonylContact O-C 3.54Å; W144-A161 WeakPolarHBondContact O-CA 3.08Å; A161-M210 HydrophobicContact CB-CG 4.08Å; A161-M210 PolarHBondContact N-O 3.25Å; A161-M210 WeakPolarHBondContact O-CG 3.43Å; A161-M210 PolarHBondContact O-N 3.25Å; A161-M210 VanDerWaalsContact O-O 3.13Å; A161-L212 HydrophobicContact CB-CD1 4.22Å |
| 162 | V | 90.5 | Very high | 65.7 | Low | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 111.9 | -172.6 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | V143 W144 V146 V164 K207 L208 V209 | V143-V162 WeakPolarHBondContact CA-O 3.45Å; W144-V162 PolarHBondContact N-O 2.88Å; W144-V162 PolarHBondContact O-N 3.46Å; V146-V162 HydrophobicContact CB-CG2 4.18Å; V146-V162 HydrophobicContact CG1-CB 4.01Å; V146-V162 HydrophobicContact CG1-CG2 3.51Å; V146-V162 HydrophobicContact CG2-CG2 3.5Å; V162-V164 HydrophobicContact CG1-CG2 4Å; V162-K207 HydrophobicContact CG1-CB 3.64Å; V162-K207 HydrophobicContact CG1-CD 4.04Å; V162-K207 HydrophobicContact CG1-CG 4.32Å; V162-L208 CarbonylContact C-O 3.58Å; V162-L208 VanDerWaalsContact CA-O 3.28Å; V162-L208 WeakPolarHBondContact CA-O 3.33Å; V162-V209 HydrophobicContact CG2-CB 4.44Å; V162-V209 HydrophobicContact CG2-CG1 4.11Å; V162-V209 HydrophobicContact CG2-CG2 4.11Å |
| 163 | K | 88.2 | Confident | 67 | Low | 17 Ų | 17 | 66.3 Ų | 66.3 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 107.9 | 174.1 | -171.1 | -179.2 | -172.6 | -178.5 | 0 | 107.4 | E142 E181 K207 L208 D292 | E142-K163 CarbonylContact O-C 3.49Å; E142-K163 WeakPolarHBondContact O-CA 3.03Å; K163-E181 IonicContact NZ-OE1 2.73Å; K163-E181 PolarHBondContact NZ-OE1 2.65Å; K163-E181 IonicContact NZ-OE2 2.66Å; K163-E181 PolarHBondContact NZ-OE2 2.85Å; K163-K207 WeakPolarHBondContact O-CA 3.06Å; K163-L208 HydrophobicContact CB-CB 4.27Å; K163-L208 HydrophobicContact CD-CD2 4.19Å; K163-L208 PolarHBondContact N-O 3.34Å; K163-L208 PolarHBondContact O-N 3.48Å; K163-D292 IonicContact NZ-OD1 2.74Å; K163-D292 PolarHBondContact NZ-OD1 3.13Å; K163-D292 IonicContact NZ-OD2 3.34Å |
| 164 | V | 86.7 | Confident | 68.7 | Low | 15 Ų | 15 | 62.5 Ų | 62.5 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.6 | -177.4 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | G141 E142 V162 P205 K207 | G141-V164 CarbonylContact C-O 3.54Å; G141-V164 WeakPolarHBondContact CA-O 3.49Å; E142-V164 HydrophobicContact CB-CB 4.48Å; E142-V164 PolarHBondContact N-O 2.05Å; E142-V164 VanDerWaalsContact N-O 3.17Å; E142-V164 PolarHBondContact O-N 2.8Å; V162-V164 HydrophobicContact CG1-CG2 4Å; V164-P205 HydrophobicContact CG1-CB 3.8Å; V164-P205 HydrophobicContact CG1-CG 3.44Å; V164-P205 VanDerWaalsContact CG1-CG 3.44Å; V164-K207 HydrophobicContact CG2-CD 4.29Å; V164-K207 HydrophobicContact CG2-CG 4.3Å |
| 165 | L | 79.1 | Confident | 70.3 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.4 | -179.9 | -167.6 | 65.8 | 0 | 0 | 0 | 110.3 | F140 V169 F178 P205 L206 | F140-L165 HydrophobicContact CB-CD1 4.33Å; F140-L165 WeakPolarHBondContact O-CA 3.14Å; L165-V169 HydrophobicContact CD1-CB 4.42Å; L165-V169 HydrophobicContact CD1-CG1 4.14Å; L165-V169 HydrophobicContact CD1-CG2 4.1Å; L165-V169 HydrophobicContact CD2-CB 4.32Å; L165-V169 HydrophobicContact CD2-CG1 3.79Å; L165-V169 HydrophobicContact CG-CB 4.01Å; L165-V169 HydrophobicContact CG-CG1 3.92Å; L165-V169 HydrophobicContact CG-CG2 4.11Å; L165-F178 HydrophobicContact CD1-CB 4.32Å; L165-F178 HydrophobicContact CD1-CD2 4.22Å; L165-F178 HydrophobicContact CD2-CB 4.18Å; L165-F178 HydrophobicContact CD2-CD2 4.36Å; L165-F178 HydrophobicContact CD2-CG 4.11Å; L165-P205 WeakPolarHBondContact O-CB 3.46Å; L165-L206 HydrophobicContact CD2-CB 4.43Å; L165-L206 HydrophobicContact CD2-CD1 4.41Å; L165-L206 PolarHBondContact N-O 3.48Å |
| 166 | K | 69.7 | Low | 72.3 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 29% | 0.291 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 139.8 | -176.4 | -64.9 | -162.3 | 172.8 | -159 | 0 | 112.6 | E137 F140 G141 E168 V169 | E137-K166 VanDerWaalsContact OE1-CE 3.3Å; E137-K166 WeakPolarHBondContact OE1-CE 3.25Å; E137-K166 IonicContact OE1-NZ 2.79Å; E137-K166 PolarHBondContact OE1-NZ 3.05Å; F140-K166 PolarHBondContact O-N 2.9Å; F140-K166 VanDerWaalsContact O-N 3.09Å; G141-K166 VanDerWaalsContact CA-CG 3.46Å; K166-E168 PolarHBondContact O-N 2.97Å; K166-E168 VanDerWaalsContact O-N 3.16Å; K166-V169 HydrophobicContact CB-CG2 4.08Å; K166-V169 WeakPolarHBondContact O-CB 3.46Å; K166-V169 WeakPolarHBondContact O-CG2 3.5Å; K166-V169 PolarHBondContact O-N 2.92Å |
| 167 | P | 62.6 | Low | 73.9 | Confident | 80 Ų | 80 | 54.3 Ų | 54.3 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.6 | 178.4 | -24.1 | 34.9 | 0 | 0 | 0 | 115.1 | V169 N170 | P167-V169 PolarHBondContact O-N 2.93Å; P167-N170 PolarHBondContact O-ND2 3.46Å |
| 168 | E | 54.5 | Low | 75.1 | Confident | 129 Ų | 129 | 52.5 Ų | 52.5 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -19 | 173.6 | -55 | 78.7 | -100.6 | 0 | 0 | 112.8 | K166 N170 | K166-E168 PolarHBondContact O-N 2.97Å; K166-E168 VanDerWaalsContact O-N 3.16Å; E168-N170 VanDerWaalsContact C-N 3.34Å; E168-N170 PolarHBondContact O-N 3.36Å; E168-N170 PolarHBondContact O-ND2 2.81Å |
| 169 | V | 54.6 | Low | 75.7 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | trans | -68.4 | 88.1 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | L165 K166 P167 E174 | L165-V169 HydrophobicContact CD1-CB 4.42Å; L165-V169 HydrophobicContact CD1-CG1 4.14Å; L165-V169 HydrophobicContact CD1-CG2 4.1Å; L165-V169 HydrophobicContact CD2-CB 4.32Å; L165-V169 HydrophobicContact CD2-CG1 3.79Å; L165-V169 HydrophobicContact CG-CB 4.01Å; L165-V169 HydrophobicContact CG-CG1 3.92Å; L165-V169 HydrophobicContact CG-CG2 4.11Å; K166-V169 HydrophobicContact CB-CG2 4.08Å; K166-V169 WeakPolarHBondContact O-CB 3.46Å; K166-V169 WeakPolarHBondContact O-CG2 3.5Å; K166-V169 PolarHBondContact O-N 2.92Å; P167-V169 PolarHBondContact O-N 2.93Å; V169-E174 HydrophobicContact CG1-CB 3.36Å; V169-E174 HydrophobicContact CG1-CG 4.16Å | ||
| 170 | N | 52.8 | Low | 75.6 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | trans | -111.4 | -9.5 | -174.5 | -77.2 | -98.1 | 0 | 0 | 0 | 113 | K6 P167 E168 | K6-N170 WeakPolarHBondContact CE-OD1 3.43Å; K6-N170 PolarHBondContact NZ-OD1 3.01Å; P167-N170 PolarHBondContact O-ND2 3.46Å; E168-N170 VanDerWaalsContact C-N 3.34Å; E168-N170 PolarHBondContact O-N 3.36Å; E168-N170 PolarHBondContact O-ND2 2.81Å | ||
| 171 | S | 63 | Low | 75.5 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -76.7 | 147.2 | 175.5 | 79.3 | 0 | 0 | 0 | 0 | 111.6 | M173 E174 K175 | S171-M173 PolarHBondContact O-N 2.88Å; S171-M173 PolarHBondContact OG-N 3.24Å; S171-E174 WeakPolarHBondContact CB-OE2 2.94Å; S171-E174 PolarHBondContact N-OE2 3.26Å; S171-E174 VanDerWaalsContact N-OE2 3.15Å; S171-E174 VanDerWaalsContact OG-CD 3.29Å; S171-E174 VanDerWaalsContact OG-CG 3.25Å; S171-E174 WeakPolarHBondContact OG-CG 3.01Å; S171-E174 PolarHBondContact OG-N 3.4Å; S171-E174 PolarHBondContact OG-OE2 3.33Å; S171-K175 WeakPolarHBondContact O-CG 3.41Å; S171-K175 PolarHBondContact O-N 3.16Å |
| 172 | E | 69.4 | Low | 75.5 | Confident | 132 Ų | 132 | 49.1 Ų | 49.1 | 62% | 0.617 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.6 | -16.9 | 168.2 | -69.3 | -67.9 | 108 | 0 | 0 | 111.9 | K175 G176 | E172-K175 VanDerWaalsContact OE1-CD 3.26Å; E172-K175 WeakPolarHBondContact OE1-CD 3.49Å; E172-K175 IonicContact OE1-NZ 2.77Å; E172-K175 PolarHBondContact OE1-NZ 3.34Å; E172-G176 PolarHBondContact O-N 2.93Å |
| 173 | M | 69.4 | Low | 75.5 | Confident | 142 Ų | 142 | 52.6 Ų | 52.6 | 70% | 0.7 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69 | -58.1 | 177.4 | -175.3 | 179.6 | -64.6 | 0 | 0 | 111 | S171 K175 G176 E177 | S171-M173 PolarHBondContact O-N 2.88Å; S171-M173 PolarHBondContact OG-N 3.24Å; M173-K175 VanDerWaalsContact C-N 3.32Å; M173-K175 PolarHBondContact O-N 2.93Å; M173-G176 CarbonylContact O-C 3.15Å; M173-G176 VanDerWaalsContact O-CA 3.31Å; M173-G176 WeakPolarHBondContact O-CA 3.29Å; M173-G176 PolarHBondContact O-N 3.06Å; M173-E177 PolarHBondContact O-N 2.98Å |
| 174 | E | 70.7 | Confident | 75.6 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 178.4 | -63.6 | 157 | 111 | 0 | 0 | 112.1 | V169 S171 G176 E177 F178 | V169-E174 HydrophobicContact CG1-CB 3.36Å; V169-E174 HydrophobicContact CG1-CG 4.16Å; S171-E174 WeakPolarHBondContact CB-OE2 2.94Å; S171-E174 PolarHBondContact N-OE2 3.26Å; S171-E174 VanDerWaalsContact N-OE2 3.15Å; S171-E174 VanDerWaalsContact OG-CD 3.29Å; S171-E174 VanDerWaalsContact OG-CG 3.25Å; S171-E174 WeakPolarHBondContact OG-CG 3.01Å; S171-E174 PolarHBondContact OG-N 3.4Å; S171-E174 PolarHBondContact OG-OE2 3.33Å; E174-G176 VanDerWaalsContact C-N 3.33Å; E174-E177 PolarHBondContact O-N 3.1Å; E174-F178 PolarHBondContact O-N 3.21Å |
| 175 | K | 77.5 | Confident | 75.8 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 170.5 | -68.6 | 173.2 | -162.2 | 163.2 | 0 | 110.7 | E49 S171 E172 M173 E177 F178 F179 | E49-K175 IonicContact OE1-NZ 2.98Å; E49-K175 PolarHBondContact OE1-NZ 3.18Å; E49-K175 VanDerWaalsContact OE1-NZ 3.13Å; S171-K175 WeakPolarHBondContact O-CG 3.41Å; S171-K175 PolarHBondContact O-N 3.16Å; E172-K175 VanDerWaalsContact OE1-CD 3.26Å; E172-K175 WeakPolarHBondContact OE1-CD 3.49Å; E172-K175 IonicContact OE1-NZ 2.77Å; E172-K175 PolarHBondContact OE1-NZ 3.34Å; M173-K175 VanDerWaalsContact C-N 3.32Å; M173-K175 PolarHBondContact O-N 2.93Å; K175-E177 VanDerWaalsContact C-N 3.34Å; K175-E177 PolarHBondContact O-N 3.45Å; K175-F178 PolarHBondContact O-N 2.92Å; K175-F179 WeakPolarHBondContact O-CD2 3.43Å; K175-F179 PolarHBondContact O-N 3.11Å |
| 176 | G | 81.2 | Confident | 76.3 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 31% | 0.309 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E172 M173 E174 F179 D180 | E172-G176 PolarHBondContact O-N 2.93Å; M173-G176 CarbonylContact O-C 3.15Å; M173-G176 VanDerWaalsContact O-CA 3.31Å; M173-G176 WeakPolarHBondContact O-CA 3.29Å; M173-G176 PolarHBondContact O-N 3.06Å; E174-G176 VanDerWaalsContact C-N 3.33Å; G176-F179 PolarHBondContact O-N 3.09Å; G176-D180 WeakPolarHBondContact O-CB 3.39Å; G176-D180 PolarHBondContact O-N 3.37Å |
| 177 | E | 80.1 | Confident | 77.1 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.2 | -68.1 | 178.2 | 161.4 | 0 | 0 | 112.8 | M173 E174 K175 D180 E181 | M173-E177 PolarHBondContact O-N 2.98Å; E174-E177 PolarHBondContact O-N 3.1Å; K175-E177 VanDerWaalsContact C-N 3.34Å; K175-E177 PolarHBondContact O-N 3.45Å; E177-D180 PolarHBondContact O-N 2.79Å; E177-E181 PolarHBondContact O-N 3.19Å |
| 178 | F | 83.8 | Confident | 78.4 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 173.3 | 169.7 | -94.9 | 0 | 0 | 0 | 111.7 | L165 E174 K175 D180 E181 C182 L206 L208 | L165-F178 HydrophobicContact CD1-CB 4.32Å; L165-F178 HydrophobicContact CD1-CD2 4.22Å; L165-F178 HydrophobicContact CD2-CB 4.18Å; L165-F178 HydrophobicContact CD2-CD2 4.36Å; L165-F178 HydrophobicContact CD2-CG 4.11Å; E174-F178 PolarHBondContact O-N 3.21Å; K175-F178 PolarHBondContact O-N 2.92Å; F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.2Å; F178-E181 PolarHBondContact O-N 2.75Å; F178-C182 PolarHBondContact O-N 3.29Å; F178-C182 PolarHBondContact O-SG 3.21Å; F178-L206 HydrophobicContact CD1-CD1 4.23Å; F178-L206 HydrophobicContact CE1-CB 3.94Å; F178-L206 HydrophobicContact CE1-CD1 4.16Å; F178-L206 HydrophobicContact CZ-CB 4.05Å; F178-L208 HydrophobicContact CE2-CB 3.78Å; F178-L208 HydrophobicContact CZ-CB 4.15Å |
| 179 | F | 88.2 | Confident | 80.1 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 176.3 | -76.3 | -66.3 | 0 | 0 | 0 | 112.2 | P29 K175 G176 C182 R183 I199 L201 L206 | P29-F179 HydrophobicContact CG-CB 4.45Å; P29-F179 HydrophobicContact CG-CD1 3.75Å; P29-F179 HydrophobicContact CG-CD2 3.47Å; P29-F179 VanDerWaalsContact CG-CD2 3.47Å; P29-F179 HydrophobicContact CG-CE1 3.75Å; P29-F179 HydrophobicContact CG-CE2 3.49Å; P29-F179 VanDerWaalsContact CG-CE2 3.49Å; P29-F179 HydrophobicContact CG-CG 3.63Å; P29-F179 HydrophobicContact CG-CZ 3.63Å; K175-F179 WeakPolarHBondContact O-CD2 3.43Å; K175-F179 PolarHBondContact O-N 3.11Å; G176-F179 PolarHBondContact O-N 3.09Å; F179-C182 PolarHBondContact O-N 3.16Å; F179-R183 WeakPolarHBondContact O-CB 3.3Å; F179-R183 VanDerWaalsContact O-CG 3.25Å; F179-R183 WeakPolarHBondContact O-CG 3.29Å; F179-R183 PolarHBondContact O-N 3.26Å; F179-I199 HydrophobicContact CE1-CD1 4.34Å; F179-L201 HydrophobicContact CE1-CD1 4.02Å; F179-L201 HydrophobicContact CE1-CD2 3.63Å; F179-L201 HydrophobicContact CZ-CD1 4.45Å; F179-L201 HydrophobicContact CZ-CD2 3.75Å; F179-L206 HydrophobicContact CE2-CD1 4.14Å; F179-L206 HydrophobicContact CZ-CD1 4.03Å |
| 180 | D | 86.6 | Confident | 81.9 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 173.8 | -100.5 | 16.4 | 0 | 0 | 0 | 112.8 | G176 E177 F178 C182 R183 K184 | G176-D180 WeakPolarHBondContact O-CB 3.39Å; G176-D180 PolarHBondContact O-N 3.37Å; E177-D180 PolarHBondContact O-N 2.79Å; F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.2Å; D180-C182 VanDerWaalsContact C-N 3.28Å; D180-C182 PolarHBondContact O-N 3.18Å; D180-R183 PolarHBondContact O-N 2.02Å; D180-R183 IonicContact OD1-CZ 2.72Å; D180-R183 IonicContact OD1-NH1 3.16Å; D180-R183 PolarHBondContact OD1-NH1 3.01Å; D180-K184 WeakPolarHBondContact O-CB 3.42Å; D180-K184 WeakPolarHBondContact O-CD 3.43Å; D180-K184 VanDerWaalsContact O-CE 3.23Å; D180-K184 WeakPolarHBondContact O-CE 3.46Å; D180-K184 WeakPolarHBondContact O-CG 3.06Å; D180-K184 PolarHBondContact O-N 2.88Å |
| 181 | E | 87.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55 | -47.7 | 169.1 | -179 | 175.2 | -158 | 0 | 0 | 110.3 | K163 E177 F178 R183 K184 M185 L208 F293 G294 | K163-E181 IonicContact NZ-OE1 2.73Å; K163-E181 PolarHBondContact NZ-OE1 2.65Å; K163-E181 IonicContact NZ-OE2 2.66Å; K163-E181 PolarHBondContact NZ-OE2 2.85Å; E177-E181 PolarHBondContact O-N 3.19Å; F178-E181 PolarHBondContact O-N 2.75Å; E181-R183 PolarHBondContact O-N 3.35Å; E181-K184 PolarHBondContact O-N 3.39Å; E181-M185 HydrophobicContact CG-CG 4.31Å; E181-M185 HydrophobicContact CG-SD 4.36Å; E181-M185 WeakPolarHBondContact O-CB 3.49Å; E181-M185 WeakPolarHBondContact O-CG 3.28Å; E181-M185 PolarHBondContact O-N 3.35Å; E181-L208 HydrophobicContact CG-CD2 4.23Å; E181-F293 HydrophobicContact CG-CB 4.12Å; E181-F293 PolarHBondContact OE1-N 2.65Å; E181-G294 PolarHBondContact OE1-N 3.48Å |
| 182 | C | 90.4 | Very high | 85.4 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 179.6 | -64.3 | 0 | 0 | 0 | 0 | 112.5 | F178 F179 D180 R186 F196 I199 | F178-C182 PolarHBondContact O-N 3.29Å; F178-C182 PolarHBondContact O-SG 3.21Å; F179-C182 PolarHBondContact O-N 3.16Å; D180-C182 VanDerWaalsContact C-N 3.28Å; D180-C182 PolarHBondContact O-N 3.18Å; C182-R186 WeakPolarHBondContact O-CB 3.35Å; C182-R186 PolarHBondContact O-N 2.82Å; C182-F196 HydrophobicContact CB-CE2 4.36Å; C182-I199 HydrophobicContact CB-CG2 4.03Å; C182-I199 VanDerWaalsContact SG-CG2 3.54Å |
| 183 | R | 90.1 | Very high | 86.6 | Confident | 75 Ų | 75 | 45.5 Ų | 45.5 | 28% | 0.283 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.8 | -73.5 | 170.6 | -162 | 127.1 | 2.8 | 111.7 | D32 F179 D180 E181 | D32-R183 IonicContact OD1-CZ 3.23Å; D32-R183 IonicContact OD1-NE 2.82Å; D32-R183 PolarHBondContact OD1-NE 3.32Å; D32-R183 IonicContact OD1-NH2 3.35Å; D32-R183 IonicContact OD2-CZ 2.6Å; D32-R183 IonicContact OD2-NE 3.45Å; D32-R183 IonicContact OD2-NH2 3.45Å; D32-R183 PolarHBondContact OD2-NH2 2.84Å; F179-R183 WeakPolarHBondContact O-CB 3.3Å; F179-R183 VanDerWaalsContact O-CG 3.25Å; F179-R183 WeakPolarHBondContact O-CG 3.29Å; F179-R183 PolarHBondContact O-N 3.26Å; D180-R183 PolarHBondContact O-N 2.02Å; D180-R183 IonicContact OD1-CZ 2.72Å; D180-R183 IonicContact OD1-NH1 3.16Å; D180-R183 PolarHBondContact OD1-NH1 3.01Å; E181-R183 PolarHBondContact O-N 3.35Å |
| 184 | K | 89.9 | Confident | 87.7 | Confident | 20 Ų | 20 | 38.8 Ų | 38.8 | 9% | 0.087 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59 | -57.8 | 175.1 | -65.1 | 159.8 | -146 | 165.6 | 0 | 109.7 | D180 E181 R186 S187 L271 G294 A296 | D180-K184 WeakPolarHBondContact O-CB 3.42Å; D180-K184 WeakPolarHBondContact O-CD 3.43Å; D180-K184 VanDerWaalsContact O-CE 3.23Å; D180-K184 WeakPolarHBondContact O-CE 3.46Å; D180-K184 WeakPolarHBondContact O-CG 3.06Å; D180-K184 PolarHBondContact O-N 2.88Å; E181-K184 PolarHBondContact O-N 3.39Å; K184-R186 VanDerWaalsContact C-N 3.34Å; K184-R186 PolarHBondContact O-N 3Å; K184-S187 WeakPolarHBondContact O-CB 3.37Å; K184-S187 PolarHBondContact O-N 2.91Å; K184-S187 PolarHBondContact O-OG 2.91Å; K184-L271 HydrophobicContact CB-CD1 4.47Å; K184-L271 HydrophobicContact CB-CD2 4.49Å; K184-L271 HydrophobicContact CD-CD1 4.22Å; K184-L271 HydrophobicContact CG-CD1 4.03Å; K184-G294 PolarHBondContact NZ-O 3.16Å; K184-A296 HydrophobicContact CD-CB 4.18Å; K184-A296 WeakPolarHBondContact CE-O 3.43Å; K184-A296 PolarHBondContact NZ-O 3.49Å |
| 185 | M | 91 | Very high | 88.7 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -38.9 | -177.3 | -73 | -158.6 | 73.8 | 0 | 0 | 113.4 | E181 S187 L188 V194 F196 L208 M210 F293 | E181-M185 HydrophobicContact CG-CG 4.31Å; E181-M185 HydrophobicContact CG-SD 4.36Å; E181-M185 WeakPolarHBondContact O-CB 3.49Å; E181-M185 WeakPolarHBondContact O-CG 3.28Å; E181-M185 PolarHBondContact O-N 3.35Å; M185-S187 PolarHBondContact O-N 3.16Å; M185-S187 VanDerWaalsContact O-N 3.11Å; M185-L188 PolarHBondContact O-N 2.92Å; M185-V194 HydrophobicContact CE-CG1 4.28Å; M185-V194 VanDerWaalsContact CE-O 3.32Å; M185-V194 WeakPolarHBondContact CE-O 3.06Å; M185-F196 HydrophobicContact CB-CB 4.12Å; M185-F196 HydrophobicContact CB-CD2 3.92Å; M185-F196 HydrophobicContact CB-CG 4.38Å; M185-L208 HydrophobicContact SD-CD2 4.01Å; M185-M210 HydrophobicContact CE-CE 4.04Å; M185-M210 HydrophobicContact SD-CE 3.93Å; M185-F293 HydrophobicContact CE-CD2 4Å; M185-F293 HydrophobicContact CE-CE2 4.26Å; M185-F293 HydrophobicContact CG-CB 3.88Å; M185-F293 HydrophobicContact CG-CD2 3.57Å; M185-F293 HydrophobicContact CG-CE2 4.44Å; M185-F293 HydrophobicContact CG-CG 3.97Å; M185-F293 HydrophobicContact SD-CD2 3.89Å |
| 186 | R | 89.4 | Confident | 89.3 | Confident | 106 Ų | 106 | 37 Ų | 37 | 40% | 0.4 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.3 | -20 | 176.2 | -170.7 | -177.5 | 70.8 | -168.8 | -2.6 | 113.4 | W122 C182 K184 F196 | W122-R186 VanDerWaalsContact CH2-NH1 3.3Å; C182-R186 WeakPolarHBondContact O-CB 3.35Å; C182-R186 PolarHBondContact O-N 2.82Å; K184-R186 VanDerWaalsContact C-N 3.34Å; K184-R186 PolarHBondContact O-N 3Å; R186-F196 HydrophobicContact CB-CD1 4.01Å; R186-F196 HydrophobicContact CB-CE1 3.86Å; R186-F196 HydrophobicContact CB-CE2 4.47Å; R186-F196 HydrophobicContact CB-CG 4.37Å; R186-F196 HydrophobicContact CB-CZ 4.12Å; R186-F196 HydrophobicContact CG-CD1 4.1Å; R186-F196 HydrophobicContact CG-CE1 3.75Å; R186-F196 HydrophobicContact CG-CZ 4.31Å |
| 187 | S | 85.6 | Confident | 89.6 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 40% | 0.399 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -8.3 | 176.4 | 78.7 | 0 | 0 | 0 | 0 | 114.6 | K184 M185 | K184-S187 WeakPolarHBondContact O-CB 3.37Å; K184-S187 PolarHBondContact O-N 2.91Å; K184-S187 PolarHBondContact O-OG 2.91Å; M185-S187 PolarHBondContact O-N 3.16Å; M185-S187 VanDerWaalsContact O-N 3.11Å |
| 188 | L | 90.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | trans | -104.5 | 121.1 | -171.5 | -54.8 | 178.3 | 0 | 0 | 0 | 111.7 | M185 V193 Y265 K269 L271 F293 | M185-L188 PolarHBondContact O-N 2.92Å; L188-V193 HydrophobicContact CB-CG1 4.14Å; L188-V193 HydrophobicContact CD1-CG1 4.13Å; L188-Y265 HydrophobicContact CB-CE1 4.2Å; L188-Y265 HydrophobicContact CD2-CD1 4.4Å; L188-Y265 HydrophobicContact CD2-CE1 3.83Å; L188-K269 HydrophobicContact CD2-CB 4.28Å; L188-K269 HydrophobicContact CD2-CG 3.96Å; L188-L271 HydrophobicContact CD1-CD2 3.95Å; L188-L271 HydrophobicContact CD2-CD2 4.21Å; L188-F293 HydrophobicContact CD1-CD1 3.98Å; L188-F293 HydrophobicContact CD1-CD2 4.43Å; L188-F293 HydrophobicContact CD1-CE1 3.52Å; L188-F293 HydrophobicContact CD1-CE2 4.02Å; L188-F293 HydrophobicContact CD1-CG 4.42Å; L188-F293 HydrophobicContact CD1-CZ 3.54Å | ||
| 189 | L | 90 | Very high | 90.6 | Very high | 113 Ų | 113 | 35.4 Ų | 35.4 | 59% | 0.592 | 18% | 0.176 | S | C | * | . | trans | -138.8 | 97.5 | 176.1 | 176.1 | 60.4 | 0 | 0 | 0 | 108.9 | L195 Y265 | L189-L195 HydrophobicContact CD1-CD1 3.67Å; L189-Y265 PolarHBondContact N-OH 2.85Å; L189-Y265 WeakPolarHBondContact O-CE2 3.29Å; L189-Y265 VanDerWaalsContact O-CZ 3.27Å; L189-Y265 PolarHBondContact O-OH 3.45Å | ||
| 190 | H | 94 | Very high | 90.7 | Very high | 43 Ų | 43 | 34.7 Ų | 34.7 | 20% | 0.199 | 17% | 0.173 | C | C | . | . | trans | -154.5 | 139.4 | -178.3 | -175.5 | -103.8 | 0 | 0 | 0 | 110.9 | N192 V193 C261 Y265 | H190-N192 PolarHBondContact ND1-N 2.85Å; H190-N192 PolarHBondContact O-N 2.97Å; H190-N192 VanDerWaalsContact O-N 3.09Å; H190-V193 HydrophobicContact CB-CB 4.22Å; H190-V193 HydrophobicContact CB-CG2 4Å; H190-V193 PolarHBondContact O-N 3.15Å; H190-C261 VanDerWaalsContact CE1-C 3.48Å; H190-C261 PolarHBondContact CE1-O 2.66Å; H190-C261 VanDerWaalsContact CE1-O 3.23Å; H190-Y265 HydrophobicContact CB-CD1 3.66Å; H190-Y265 HydrophobicContact CB-CD2 3.82Å; H190-Y265 HydrophobicContact CB-CE1 3.88Å; H190-Y265 HydrophobicContact CB-CE2 4Å; H190-Y265 HydrophobicContact CB-CG 3.62Å; H190-Y265 AromaticContact CD2-CD2 3.65Å; H190-Y265 AromaticContact CD2-CG 3.84Å; H190-Y265 AromaticContact CG-CD2 3.86Å; H190-Y265 AromaticContact CG-CG 3.66Å | ||
| 191 | P | 91.9 | Very high | 90.8 | Very high | 87 Ų | 87 | 31.3 Ų | 31.3 | 57% | 0.565 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.6 | -177.9 | 20.4 | -34.9 | 0 | 0 | 0 | 114.9 | K289 | P191-K289 WeakPolarHBondContact O-CE 3.11Å; P191-K289 WeakPolarHBondContact O-CG 3.23Å; P191-K289 PolarHBondContact O-NZ 3.44Å |
| 192 | N | 96.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 32 Ų | 32 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 20.5 | 176.9 | -56.3 | 109.9 | 0 | 0 | 0 | 114.5 | H190 H258 V287 A288 K289 V290 | H190-N192 PolarHBondContact ND1-N 2.85Å; H190-N192 PolarHBondContact O-N 2.97Å; H190-N192 VanDerWaalsContact O-N 3.09Å; N192-H258 WeakPolarHBondContact CB-O 3.29Å; N192-H258 VanDerWaalsContact CG-O 3.31Å; N192-H258 VanDerWaalsContact ND2-CB 3.31Å; N192-H258 WeakPolarHBondContact ND2-CB 3.36Å; N192-V287 VanDerWaalsContact ND2-CG1 3.31Å; N192-V287 WeakPolarHBondContact ND2-CG1 3.47Å; N192-A288 PolarHBondContact ND2-O 2.82Å; N192-K289 WeakPolarHBondContact O-CA 3.5Å; N192-V290 PolarHBondContact O-N 3.45Å |
| 193 | V | 95.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -118.4 | 150.7 | 166 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | L188 H190 L195 Y265 I266 K289 F293 | L188-V193 HydrophobicContact CB-CG1 4.14Å; L188-V193 HydrophobicContact CD1-CG1 4.13Å; H190-V193 HydrophobicContact CB-CB 4.22Å; H190-V193 HydrophobicContact CB-CG2 4Å; H190-V193 PolarHBondContact O-N 3.15Å; V193-L195 PolarHBondContact O-N 3.5Å; V193-Y265 HydrophobicContact CG2-CD1 4.32Å; V193-I266 HydrophobicContact CG2-CD1 4.02Å; V193-I266 HydrophobicContact CG2-CG1 4.18Å; V193-K289 PolarHBondContact O-NZ 2.87Å; V193-F293 HydrophobicContact CG1-CE2 3.91Å; V193-F293 HydrophobicContact CG1-CZ 3.72Å |
| 194 | V | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 119.6 | 172.2 | 170.8 | 0 | 0 | 0 | 0 | 109.8 | M185 M210 E211 L282 K289 V290 A291 | M185-V194 HydrophobicContact CE-CG1 4.28Å; M185-V194 VanDerWaalsContact CE-O 3.32Å; M185-V194 WeakPolarHBondContact CE-O 3.06Å; V194-M210 HydrophobicContact CG1-CB 4.1Å; V194-M210 HydrophobicContact CG1-CG 4.33Å; V194-M210 HydrophobicContact CG1-SD 3.75Å; V194-E211 HydrophobicContact CG1-CG 4.14Å; V194-L282 HydrophobicContact CG2-CB 4.37Å; V194-L282 HydrophobicContact CG2-CD1 3.98Å; V194-L282 HydrophobicContact CG2-CG 4.29Å; V194-K289 HydrophobicContact CG2-CB 3.82Å; V194-V290 PolarHBondContact N-O 2.92Å; V194-A291 HydrophobicContact CB-CB 4.14Å; V194-A291 HydrophobicContact CG2-CB 3.54Å |
| 195 | L | 89.9 | Confident | 89.4 | Confident | 36 Ų | 36 | 34.8 Ų | 34.8 | 19% | 0.188 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 130.8 | -174.8 | -177.3 | 58.8 | 0 | 0 | 0 | 112 | L189 V193 Y197 M210 E211 | L189-L195 HydrophobicContact CD1-CD1 3.67Å; V193-L195 PolarHBondContact O-N 3.5Å; L195-Y197 HydrophobicContact CD2-CD1 4.46Å; L195-Y197 HydrophobicContact CD2-CE1 3.89Å; L195-Y197 HydrophobicContact CG-CD1 4.31Å; L195-Y197 HydrophobicContact CG-CE1 4.13Å; L195-M210 CarbonylContact O-C 3.24Å; L195-M210 WeakPolarHBondContact O-CA 3.17Å; L195-M210 WeakPolarHBondContact O-CB 3.36Å; L195-E211 HydrophobicContact CB-CB 4.28Å; L195-E211 HydrophobicContact CB-CG 4.15Å; L195-E211 WeakPolarHBondContact CB-OE1 3.46Å; L195-E211 PolarHBondContact N-OE1 2.96Å; L195-E211 PolarHBondContact O-N 2.97Å |
| 196 | F | 90.2 | Very high | 89.2 | Confident | 21 Ų | 21 | 35.4 Ų | 35.4 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.8 | 170.1 | 175.6 | -90.3 | 0 | 0 | 0 | 111.1 | W122 C182 M185 R186 I199 L208 | W122-F196 HydrophobicContact CB-CE1 3.7Å; W122-F196 HydrophobicContact CB-CZ 4.25Å; W122-F196 HydrophobicContact CG-CE1 4.46Å; C182-F196 HydrophobicContact CB-CE2 4.36Å; M185-F196 HydrophobicContact CB-CB 4.12Å; M185-F196 HydrophobicContact CB-CD2 3.92Å; M185-F196 HydrophobicContact CB-CG 4.38Å; R186-F196 HydrophobicContact CB-CD1 4.01Å; R186-F196 HydrophobicContact CB-CE1 3.86Å; R186-F196 HydrophobicContact CB-CE2 4.47Å; R186-F196 HydrophobicContact CB-CG 4.37Å; R186-F196 HydrophobicContact CB-CZ 4.12Å; R186-F196 HydrophobicContact CG-CD1 4.1Å; R186-F196 HydrophobicContact CG-CE1 3.75Å; R186-F196 HydrophobicContact CG-CZ 4.31Å; F196-I199 HydrophobicContact CE2-CG2 3.97Å; F196-I199 HydrophobicContact CZ-CG2 4.13Å; F196-L208 HydrophobicContact CD2-CD1 3.59Å; F196-L208 HydrophobicContact CE2-CD1 3.58Å |
| 197 | Y | 88.7 | Confident | 89.2 | Confident | 62 Ų | 62 | 31.7 Ų | 31.7 | 24% | 0.243 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -39.9 | 173.4 | -70.2 | -21.1 | 0 | 0 | 0 | 112.5 | L148 T158 A160 L195 V209 E211 | L148-Y197 HydrophobicContact CD1-CD2 4.05Å; T158-Y197 HydrophobicContact CG2-CE2 4.31Å; A160-Y197 HydrophobicContact CB-CD2 3.83Å; A160-Y197 HydrophobicContact CB-CE2 4.01Å; L195-Y197 HydrophobicContact CD2-CD1 4.46Å; L195-Y197 HydrophobicContact CD2-CE1 3.89Å; L195-Y197 HydrophobicContact CG-CD1 4.31Å; L195-Y197 HydrophobicContact CG-CE1 4.13Å; Y197-V209 HydrophobicContact CD2-CG1 4.4Å; Y197-V209 PolarHBondContact N-O 3.44Å; Y197-E211 HydrophobicContact CE1-CB 4.15Å; Y197-E211 VanDerWaalsContact CE2-CA 3.47Å; Y197-E211 HydrophobicContact CE2-CB 4.02Å; Y197-E211 WeakPolarHBondContact OH-CB 3.27Å |
| 198 | G | 91.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171 | -169.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | W122 V209 | W122-G198 CarbonylContact O-C 3.53Å; W122-G198 WeakPolarHBondContact O-CA 3.38Å; G198-V209 PolarHBondContact N-O 3.23Å; G198-V209 WeakPolarHBondContact O-CA 3.44Å; G198-V209 WeakPolarHBondContact O-CB 3.46Å; G198-V209 PolarHBondContact O-N 3.27Å |
| 199 | I | 92.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.6 | 175.4 | 58.4 | -176.8 | 0 | 0 | 0 | 110.8 | W122 L124 F179 C182 F196 L201 K207 L208 | W122-I199 HydrophobicContact CE3-CD1 4.09Å; W122-I199 HydrophobicContact CE3-CG1 4.13Å; W122-I199 HydrophobicContact CZ3-CD1 3.9Å; W122-I199 HydrophobicContact CZ3-CG1 4.36Å; W122-I199 PolarHBondContact O-N 3.03Å; L124-I199 PolarHBondContact N-O 3.06Å; F179-I199 HydrophobicContact CE1-CD1 4.34Å; C182-I199 HydrophobicContact CB-CG2 4.03Å; C182-I199 VanDerWaalsContact SG-CG2 3.54Å; F196-I199 HydrophobicContact CE2-CG2 3.97Å; F196-I199 HydrophobicContact CZ-CG2 4.13Å; I199-L201 HydrophobicContact CB-CD2 4.49Å; I199-L201 HydrophobicContact CD1-CD1 3.74Å; I199-L201 HydrophobicContact CD1-CD2 4.1Å; I199-L201 HydrophobicContact CD1-CG 4Å; I199-L201 HydrophobicContact CG1-CD1 4.2Å; I199-L201 HydrophobicContact CG1-CD2 4.35Å; I199-L201 HydrophobicContact CG1-CG 4.03Å; I199-K207 CarbonylContact C-O 3.47Å; I199-K207 VanDerWaalsContact CA-O 3.24Å; I199-K207 WeakPolarHBondContact CA-O 3.14Å; I199-L208 HydrophobicContact CG2-CD1 4.26Å |
| 200 | V | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 121.5 | 170.4 | -180 | 0 | 0 | 0 | 0 | 109.4 | L124 D126 I129 V203 K207 V209 | L124-V200 HydrophobicContact CB-CG2 3.88Å; L124-V200 WeakPolarHBondContact O-CA 3.49Å; D126-V200 HydrophobicContact CB-CG1 4.17Å; I129-V200 HydrophobicContact CD1-CG2 3.43Å; I129-V200 VanDerWaalsContact CD1-CG2 3.43Å; I129-V200 HydrophobicContact CG1-CG2 4.33Å; V200-V203 HydrophobicContact CG1-CG2 4.25Å; V200-K207 HydrophobicContact CB-CB 4.04Å; V200-K207 HydrophobicContact CB-CD 4.42Å; V200-K207 HydrophobicContact CB-CG 4.23Å; V200-K207 HydrophobicContact CG2-CB 4.44Å; V200-K207 PolarHBondContact N-O 3.24Å; V200-K207 PolarHBondContact O-N 2.92Å; V200-K207 VanDerWaalsContact O-N 3.17Å; V200-V209 HydrophobicContact CG2-CG2 4.38Å |
| 201 | L | 89.7 | Confident | 89.4 | Confident | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | trans | -125.6 | -6.5 | -176.7 | -57.1 | -177.6 | 0 | 0 | 0 | 113.8 | G26 A27 L28 F179 I199 V203 L206 | G26-L201 CarbonylContact C-O 3.59Å; G26-L201 VanDerWaalsContact CA-O 3.28Å; G26-L201 WeakPolarHBondContact CA-O 3.45Å; A27-L201 PolarHBondContact N-O 2.74Å; L28-L201 HydrophobicContact CB-CD1 4.14Å; L28-L201 HydrophobicContact CD1-CD1 3.86Å; F179-L201 HydrophobicContact CE1-CD1 4.02Å; F179-L201 HydrophobicContact CE1-CD2 3.63Å; F179-L201 HydrophobicContact CZ-CD1 4.45Å; F179-L201 HydrophobicContact CZ-CD2 3.75Å; I199-L201 HydrophobicContact CB-CD2 4.49Å; I199-L201 HydrophobicContact CD1-CD1 3.74Å; I199-L201 HydrophobicContact CD1-CD2 4.1Å; I199-L201 HydrophobicContact CD1-CG 4Å; I199-L201 HydrophobicContact CG1-CD1 4.2Å; I199-L201 HydrophobicContact CG1-CD2 4.35Å; I199-L201 HydrophobicContact CG1-CG 4.03Å; L201-V203 VanDerWaalsContact C-N 3.29Å; L201-V203 PolarHBondContact O-N 3.1Å; L201-L206 HydrophobicContact CD2-CD1 4.44Å; L201-L206 HydrophobicContact CD2-CD2 4Å | ||
| 202 | D | 85.6 | Confident | 89.2 | Confident | 18 Ų | 18 | 18.9 Ų | 18.9 | 10% | 0.096 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -83.6 | -5.5 | -174.2 | 85.3 | -57.6 | 0 | 0 | 0 | 113.8 | R19 F24 H125 D126 | R19-D202 IonicContact CZ-OD2 3.23Å; R19-D202 IonicContact NE-OD2 2.75Å; R19-D202 PolarHBondContact NE-OD2 2.94Å; R19-D202 VanDerWaalsContact NE-OD2 3.15Å; R19-D202 IonicContact NH2-OD2 2.71Å; R19-D202 PolarHBondContact NH2-OD2 2.87Å; F24-D202 HydrophobicContact CD1-CB 4.37Å; F24-D202 HydrophobicContact CE1-CB 3.93Å; H125-D202 WeakPolarHBondContact CA-OD1 3.49Å; H125-D202 IonicContact ND1-OD2 2.71Å; D126-D202 PolarHBondContact N-OD1 2.83Å |
| 203 | V | 81 | Confident | 88.7 | Confident | 33 Ų | 33 | 18.4 Ų | 18.4 | 20% | 0.2 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -137.7 | 159.4 | 169.6 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | R19 D126 V200 L201 K207 | R19-V203 VanDerWaalsContact NH2-CG1 3.35Å; D126-V203 HydrophobicContact CB-CG1 3.94Å; D126-V203 HydrophobicContact CB-CG2 3.83Å; D126-V203 VanDerWaalsContact CG-CG2 3.41Å; D126-V203 WeakPolarHBondContact OD1-CG2 3.48Å; V200-V203 HydrophobicContact CG1-CG2 4.25Å; L201-V203 VanDerWaalsContact C-N 3.29Å; L201-V203 PolarHBondContact O-N 3.1Å; V203-K207 VanDerWaalsContact CG2-NZ 3.3Å |
| 204 | E | 78.5 | Confident | 87.6 | Confident | 83 Ų | 83 | 20.8 Ų | 20.8 | 39% | 0.388 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -98.8 | 143.5 | 161.5 | -71.3 | 175.1 | 176.9 | 0 | 0 | 109.2 | R9 | R9-E204 VanDerWaalsContact CD-OE1 3.27Å; R9-E204 WeakPolarHBondContact CD-OE1 3.24Å; R9-E204 IonicContact CZ-OE1 2.66Å; R9-E204 IonicContact NE-OE1 3.16Å; R9-E204 PolarHBondContact NE-OE1 3.41Å; R9-E204 IonicContact NH1-OE1 3.59Å; R9-E204 PolarHBondContact NH1-OE1 3.33Å |
| 205 | P | 82.1 | Confident | 85.8 | Confident | 42 Ų | 42 | 21.1 Ų | 21.1 | 27% | 0.273 | 11% | 0.107 | S | C | . | . | S | Bend | cis | -68.5 | 149.7 | -4.2 | 27.3 | -34.7 | 0 | 0 | 0 | 113.7 | V164 L165 K207 | V164-P205 HydrophobicContact CG1-CB 3.8Å; V164-P205 HydrophobicContact CG1-CG 3.44Å; V164-P205 VanDerWaalsContact CG1-CG 3.44Å; L165-P205 WeakPolarHBondContact O-CB 3.46Å; P205-K207 WeakPolarHBondContact O-CG 3.47Å; P205-K207 PolarHBondContact O-NZ 3.25Å |
| 206 | L | 87.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 22.1 Ų | 22.1 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 148.4 | 173.8 | -53 | -177.4 | 0 | 0 | 0 | 110 | A27 L165 F178 F179 L201 | A27-L206 HydrophobicContact CB-CD2 4.04Å; L165-L206 HydrophobicContact CD2-CB 4.43Å; L165-L206 HydrophobicContact CD2-CD1 4.41Å; L165-L206 PolarHBondContact N-O 3.48Å; F178-L206 HydrophobicContact CD1-CD1 4.23Å; F178-L206 HydrophobicContact CE1-CB 3.94Å; F178-L206 HydrophobicContact CE1-CD1 4.16Å; F178-L206 HydrophobicContact CZ-CB 4.05Å; F179-L206 HydrophobicContact CE2-CD1 4.14Å; F179-L206 HydrophobicContact CZ-CD1 4.03Å; L201-L206 HydrophobicContact CD2-CD1 4.44Å; L201-L206 HydrophobicContact CD2-CD2 4Å |
| 207 | K | 90 | Very high | 80.9 | Confident | 28 Ų | 28 | 23.8 Ų | 23.8 | 12% | 0.122 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 133.5 | -173.9 | -40.9 | -175.3 | 176.5 | 69 | 0 | 111.9 | D126 V162 K163 V164 I199 V200 V203 P205 | D126-K207 WeakPolarHBondContact OD1-CE 3.42Å; D126-K207 IonicContact OD1-NZ 3.42Å; D126-K207 PolarHBondContact OD1-NZ 2.82Å; V162-K207 HydrophobicContact CG1-CB 3.64Å; V162-K207 HydrophobicContact CG1-CD 4.04Å; V162-K207 HydrophobicContact CG1-CG 4.32Å; K163-K207 WeakPolarHBondContact O-CA 3.06Å; V164-K207 HydrophobicContact CG2-CD 4.29Å; V164-K207 HydrophobicContact CG2-CG 4.3Å; I199-K207 CarbonylContact C-O 3.47Å; I199-K207 VanDerWaalsContact CA-O 3.24Å; I199-K207 WeakPolarHBondContact CA-O 3.14Å; V200-K207 HydrophobicContact CB-CB 4.04Å; V200-K207 HydrophobicContact CB-CD 4.42Å; V200-K207 HydrophobicContact CB-CG 4.23Å; V200-K207 HydrophobicContact CG2-CB 4.44Å; V200-K207 PolarHBondContact N-O 3.24Å; V200-K207 PolarHBondContact O-N 2.92Å; V200-K207 VanDerWaalsContact O-N 3.17Å; V203-K207 VanDerWaalsContact CG2-NZ 3.3Å; P205-K207 WeakPolarHBondContact O-CG 3.47Å; P205-K207 PolarHBondContact O-NZ 3.25Å |
| 208 | L | 90.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.9 | 169.9 | 161.9 | 62.1 | 0 | 0 | 0 | 109.3 | V162 K163 F178 E181 M185 F196 I199 M210 | V162-L208 CarbonylContact C-O 3.58Å; V162-L208 VanDerWaalsContact CA-O 3.28Å; V162-L208 WeakPolarHBondContact CA-O 3.33Å; K163-L208 HydrophobicContact CB-CB 4.27Å; K163-L208 HydrophobicContact CD-CD2 4.19Å; K163-L208 PolarHBondContact N-O 3.34Å; K163-L208 PolarHBondContact O-N 3.48Å; F178-L208 HydrophobicContact CE2-CB 3.78Å; F178-L208 HydrophobicContact CZ-CB 4.15Å; E181-L208 HydrophobicContact CG-CD2 4.23Å; M185-L208 HydrophobicContact SD-CD2 4.01Å; F196-L208 HydrophobicContact CD2-CD1 3.59Å; F196-L208 HydrophobicContact CE2-CD1 3.58Å; I199-L208 HydrophobicContact CG2-CD1 4.26Å; L208-M210 HydrophobicContact CD2-CE 3.84Å; L208-M210 HydrophobicContact CG-CE 4.09Å |
| 209 | V | 92.2 | Very high | 75.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.2 | -177 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | L124 I129 L148 A160 V162 Y197 G198 V200 | L124-V209 HydrophobicContact CD1-CB 3.95Å; L124-V209 HydrophobicContact CD1-CG1 4.03Å; L124-V209 HydrophobicContact CD1-CG2 3.77Å; I129-V209 HydrophobicContact CD1-CG2 3.65Å; L148-V209 HydrophobicContact CD1-CG1 4.35Å; L148-V209 HydrophobicContact CD2-CG1 4.03Å; A160-V209 HydrophobicContact CB-CG1 3.85Å; V162-V209 HydrophobicContact CG2-CB 4.44Å; V162-V209 HydrophobicContact CG2-CG1 4.11Å; V162-V209 HydrophobicContact CG2-CG2 4.11Å; Y197-V209 HydrophobicContact CD2-CG1 4.4Å; Y197-V209 PolarHBondContact N-O 3.44Å; G198-V209 PolarHBondContact N-O 3.23Å; G198-V209 WeakPolarHBondContact O-CA 3.44Å; G198-V209 WeakPolarHBondContact O-CB 3.46Å; G198-V209 PolarHBondContact O-N 3.27Å; V200-V209 HydrophobicContact CG2-CG2 4.38Å |
| 210 | M | 91 | Very high | 72.3 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 170.2 | -176.8 | 57.6 | 173.2 | 65 | 0 | 0 | 110.7 | A160 A161 M185 V194 L195 L208 L212 | A160-M210 WeakPolarHBondContact CA-O 3.36Å; A160-M210 WeakPolarHBondContact CB-O 3.27Å; A161-M210 HydrophobicContact CB-CG 4.08Å; A161-M210 PolarHBondContact N-O 3.25Å; A161-M210 WeakPolarHBondContact O-CG 3.43Å; A161-M210 PolarHBondContact O-N 3.25Å; A161-M210 VanDerWaalsContact O-O 3.13Å; M185-M210 HydrophobicContact CE-CE 4.04Å; M185-M210 HydrophobicContact SD-CE 3.93Å; V194-M210 HydrophobicContact CG1-CB 4.1Å; V194-M210 HydrophobicContact CG1-CG 4.33Å; V194-M210 HydrophobicContact CG1-SD 3.75Å; L195-M210 CarbonylContact O-C 3.24Å; L195-M210 WeakPolarHBondContact O-CA 3.17Å; L195-M210 WeakPolarHBondContact O-CB 3.36Å; L208-M210 HydrophobicContact CD2-CE 3.84Å; L208-M210 HydrophobicContact CG-CE 4.09Å; M210-L212 PolarHBondContact O-N 2.68Å |
| 211 | E | 89.4 | Confident | 69.5 | Low | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 138.5 | 178.7 | 73.5 | 177.3 | 127.9 | 0 | 0 | 112.6 | V194 L195 Y197 C213 K284 K289 | V194-E211 HydrophobicContact CG1-CG 4.14Å; L195-E211 HydrophobicContact CB-CB 4.28Å; L195-E211 HydrophobicContact CB-CG 4.15Å; L195-E211 WeakPolarHBondContact CB-OE1 3.46Å; L195-E211 PolarHBondContact N-OE1 2.96Å; L195-E211 PolarHBondContact O-N 2.97Å; Y197-E211 HydrophobicContact CE1-CB 4.15Å; Y197-E211 VanDerWaalsContact CE2-CA 3.47Å; Y197-E211 HydrophobicContact CE2-CB 4.02Å; Y197-E211 WeakPolarHBondContact OH-CB 3.27Å; E211-C213 PolarHBondContact O-N 3.14Å; E211-K284 WeakPolarHBondContact OE2-CD 3.47Å; E211-K284 WeakPolarHBondContact OE2-CE 3.33Å; E211-K284 IonicContact OE2-NZ 3.83Å; E211-K284 PolarHBondContact OE2-NZ 3Å; E211-K289 WeakPolarHBondContact OE1-CD 3.32Å; E211-K289 VanDerWaalsContact OE1-CE 3.24Å; E211-K289 WeakPolarHBondContact OE1-CE 3.49Å; E211-K289 IonicContact OE1-NZ 3.6Å; E211-K289 PolarHBondContact OE1-NZ 2.73Å; E211-K289 IonicContact OE2-NZ 3.88Å |
| 212 | L | 88.9 | Confident | 66.7 | Low | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | trans | -68.1 | 127 | 165.6 | -174 | 67.6 | 0 | 0 | 0 | 108.6 | K145 R159 A161 M210 D214 K284 | K145-L212 HydrophobicContact CB-CD1 4.23Å; K145-L212 HydrophobicContact CD-CD1 4.13Å; K145-L212 HydrophobicContact CD-CD2 3.72Å; K145-L212 HydrophobicContact CG-CD1 4.09Å; K145-L212 HydrophobicContact CG-CD2 4.02Å; R159-L212 HydrophobicContact CB-CB 4.27Å; R159-L212 HydrophobicContact CB-CD2 3.88Å; A161-L212 HydrophobicContact CB-CD1 4.22Å; M210-L212 PolarHBondContact O-N 2.68Å; L212-D214 HydrophobicContact CD2-CB 4.48Å; L212-K284 WeakPolarHBondContact O-CD 3.23Å; L212-K284 WeakPolarHBondContact O-CE 3.46Å; L212-K284 PolarHBondContact O-NZ 2.8Å | ||
| 213 | C | 84.9 | Confident | 64.2 | Low | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | trans | -104 | 101.7 | 166.8 | -68.9 | 0 | 0 | 0 | 0 | 108.5 | E211 A234 L282 K284 | E211-C213 PolarHBondContact O-N 3.14Å; C213-A234 WeakPolarHBondContact O-CB 3.27Å; C213-L282 HydrophobicContact CB-CB 3.85Å; C213-L282 HydrophobicContact CB-CD1 4.02Å; C213-K284 HydrophobicContact CB-CB 4.02Å | ||
| 214 | D | 73.2 | Confident | 61.6 | Low | 50 Ų | 50 | 67.2 Ų | 67.2 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | trans | -108.8 | 138 | 170.8 | 51.1 | 15.3 | 0 | 0 | 0 | 112 | L212 T216 L283 A285 | L212-D214 HydrophobicContact CD2-CB 4.48Å; D214-T216 VanDerWaalsContact CG-OG1 3.27Å; D214-T216 PolarHBondContact O-N 3.27Å; D214-T216 PolarHBondContact OD1-OG1 3.49Å; D214-L283 CarbonylContact C-O 3.5Å; D214-A285 PolarHBondContact O-N 3.27Å | ||
| 215 | S | 54 | Low | 59.3 | Low | 8 Ų | 8 | 72.4 Ų | 72.4 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | trans | -83.2 | 11.9 | -174.4 | 68 | 0 | 0 | 0 | 0 | 113.2 | T217 L232 | S215-T217 PolarHBondContact O-N 3.49Å; S215-T217 PolarHBondContact O-OG1 3.27Å; S215-L232 WeakPolarHBondContact OG-CB 3.34Å; S215-L232 PolarHBondContact OG-O 2.67Å | ||
| 216 | T | 42.7 | Very low | 56.8 | Low | 57 Ų | 57 | 75.5 Ų | 75.5 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | trans | -61.1 | 87.8 | 179.4 | 19.1 | 0 | 0 | 0 | 0 | 112.2 | D214 I218 R221 | D214-T216 VanDerWaalsContact CG-OG1 3.27Å; D214-T216 PolarHBondContact O-N 3.27Å; D214-T216 PolarHBondContact OD1-OG1 3.49Å; T216-I218 PolarHBondContact O-N 3.24Å; T216-R221 VanDerWaalsContact CG2-NH1 3.32Å | ||
| 217 | T | 34.1 | Very low | 54 | Low | 57 Ų | 57 | 80.4 Ų | 80.4 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | trans | -71.3 | 99 | 170.2 | -55.5 | 0 | 0 | 0 | 0 | 108.2 | S215 I219 L220 | S215-T217 PolarHBondContact O-N 3.49Å; S215-T217 PolarHBondContact O-OG1 3.27Å; T217-I219 PolarHBondContact O-N 2.92Å; T217-L220 PolarHBondContact O-N 2.97Å | ||
| 218 | I | 33 | Very low | 51.1 | Low | 152 Ų | 152 | 82.9 Ų | 82.9 | 78% | 0.779 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -52.1 | -27 | -172.3 | -70.2 | 170.4 | 0 | 0 | 0 | 113.5 | T216 L220 | T216-I218 PolarHBondContact O-N 3.24Å; I218-L220 PolarHBondContact O-N 3.46Å |
| 219 | I | 30.9 | Very low | 48.3 | Very low | 142 Ų | 142 | 87.7 Ų | 87.7 | 73% | 0.728 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -74.9 | -17.2 | -166.9 | -61.6 | 172.5 | 0 | 0 | 0 | 114.3 | T217 | T217-I219 PolarHBondContact O-N 2.92Š|
| 220 | L | 28.4 | Very low | 45.5 | Very low | 146 Ų | 146 | 95 Ų | 95 | 76% | 0.764 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -112.8 | -6.3 | -172.5 | -72.1 | 174.8 | 0 | 0 | 0 | 116.7 | T217 I218 T222 | T217-L220 PolarHBondContact O-N 2.97Å; I218-L220 PolarHBondContact O-N 3.46Å; L220-T222 VanDerWaalsContact C-N 3.33Å; L220-T222 PolarHBondContact O-N 2.64Å |
| 221 | R | 31.9 | Very low | 42.8 | Very low | 109 Ų | 109 | 98 Ų | 98 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 4.1 | -176 | -112.5 | -175.2 | -174 | 140.3 | 9.3 | 115.3 | T216 D229 | T216-R221 VanDerWaalsContact CG2-NH1 3.32Å; R221-D229 IonicContact CZ-OD1 2.7Å; R221-D229 IonicContact CZ-OD2 3.16Å; R221-D229 VanDerWaalsContact NE-CG 3.34Å; R221-D229 IonicContact NE-OD1 2.73Å; R221-D229 PolarHBondContact NE-OD1 3.22Å; R221-D229 IonicContact NE-OD2 2.68Å; R221-D229 PolarHBondContact NE-OD2 3.06Å; R221-D229 VanDerWaalsContact NE-OD2 3.14Å; R221-D229 IonicContact NH2-OD1 2.67Å; R221-D229 PolarHBondContact NH2-OD1 3.19Å; R221-D229 IonicContact NH2-OD2 3.71Å; R221-D229 PolarHBondContact NH2-OD2 2.89Å |
| 222 | T | 31.8 | Very low | 40.4 | Very low | 106 Ų | 106 | 100.7 Ų | 100.7 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -28.7 | -174.2 | -41.2 | 0 | 0 | 0 | 0 | 113.8 | L220 | L220-T222 VanDerWaalsContact C-N 3.33Å; L220-T222 PolarHBondContact O-N 2.64Å |
| 223 | F | 31.7 | Very low | 38.4 | Very low | 178 Ų | 178 | 102.6 Ų | 102.6 | 78% | 0.781 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -108.4 | -21.7 | -168.4 | -84 | -86.7 | 0 | 0 | 0 | 116.6 | ||
| 224 | Y | 26.7 | Very low | 37.4 | Very low | 199 Ų | 199 | 103.3 Ų | 103.3 | 78% | 0.78 | 55% | 0.548 | S | S | * | . | trans | -130 | 86.3 | -177.4 | -69.8 | -78.9 | 0 | 0 | 0 | 112.2 | ||||
| 225 | K | 30.7 | Very low | 37.8 | Very low | 192 Ų | 192 | 101.9 Ų | 101.9 | 84% | 0.835 | 54% | 0.542 | S | S | * | . | trans | -92.8 | 89.7 | 170 | -72.9 | 174.8 | -179.7 | 165.8 | 0 | 110.2 | ||||
| 226 | T | 28.2 | Very low | 39.4 | Very low | 106 Ų | 106 | 101.5 Ų | 101.5 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | trans | -109.5 | 153.1 | 162.4 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | A228 | T226-A228 PolarHBondContact O-N 2.94Š| ||
| 227 | A | 28.9 | Very low | 41.6 | Very low | 118 Ų | 118 | 99.7 Ų | 99.7 | 98% | 0.975 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -75.7 | 35.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 228 | A | 28.7 | Very low | 44 | Very low | 81 Ų | 81 | 98.2 Ų | 98.2 | 67% | 0.669 | 52% | 0.52 | S | S | * | . | trans | -123.7 | 39.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T226 K230 | T226-A228 PolarHBondContact O-N 2.94Å; A228-K230 PolarHBondContact O-N 3.47Å | ||
| 229 | D | 32 | Very low | 46.7 | Very low | 100 Ų | 100 | 91.9 Ų | 91.9 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | trans | -71.4 | 56 | 176.2 | -96.6 | -6.6 | 0 | 0 | 0 | 112.1 | R221 I231 | R221-D229 IonicContact CZ-OD1 2.7Å; R221-D229 IonicContact CZ-OD2 3.16Å; R221-D229 VanDerWaalsContact NE-CG 3.34Å; R221-D229 IonicContact NE-OD1 2.73Å; R221-D229 PolarHBondContact NE-OD1 3.22Å; R221-D229 IonicContact NE-OD2 2.68Å; R221-D229 PolarHBondContact NE-OD2 3.06Å; R221-D229 VanDerWaalsContact NE-OD2 3.14Å; R221-D229 IonicContact NH2-OD1 2.67Å; R221-D229 PolarHBondContact NH2-OD1 3.19Å; R221-D229 IonicContact NH2-OD2 3.71Å; R221-D229 PolarHBondContact NH2-OD2 2.89Å; D229-I231 PolarHBondContact O-N 3.17Å | ||
| 230 | K | 34.8 | Very low | 49.5 | Very low | 155 Ų | 155 | 85.1 Ų | 85.1 | 67% | 0.674 | 45% | 0.452 | S | S | * | . | trans | -53.9 | 121.6 | 166.4 | -170.3 | -172.4 | -177.9 | -162 | 0 | 107.3 | A228 L232 | A228-K230 PolarHBondContact O-N 3.47Å; K230-L232 PolarHBondContact O-N 2.83Å | ||
| 231 | I | 34.5 | Very low | 52.4 | Low | 80 Ų | 80 | 83 Ų | 83 | 41% | 0.41 | 43% | 0.434 | S | S | . | . | trans | -63 | 109.2 | 179.5 | -62.6 | 176.7 | 0 | 0 | 0 | 107.6 | E133 M135 D229 S233 | E133-I231 WeakPolarHBondContact OE1-CD1 3.23Å; E133-I231 WeakPolarHBondContact OE2-CD1 3.27Å; M135-I231 HydrophobicContact CE-CG2 4.28Å; D229-I231 PolarHBondContact O-N 3.17Å; I231-S233 PolarHBondContact O-N 3.1Å | ||
| 232 | L | 38.1 | Very low | 54.9 | Low | 68 Ų | 68 | 81.3 Ų | 81.3 | 36% | 0.356 | 43% | 0.433 | S | S | . | . | trans | -57.8 | 113.7 | 170.8 | -84.1 | 163.7 | 0 | 0 | 0 | 107.2 | S215 K230 D242 | S215-L232 WeakPolarHBondContact OG-CB 3.34Å; S215-L232 PolarHBondContact OG-O 2.67Å; K230-L232 PolarHBondContact O-N 2.83Å; L232-D242 HydrophobicContact CD2-CB 4.07Å | ||
| 233 | S | 47.3 | Very low | 57.4 | Low | 47 Ų | 47 | 77.9 Ų | 77.9 | 33% | 0.329 | 41% | 0.411 | S | S | . | . | trans | -52.8 | 142.6 | -168.2 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | I231 S235 | I231-S233 PolarHBondContact O-N 3.1Å; S233-S235 PolarHBondContact O-N 3.27Å; S233-S235 PolarHBondContact OG-N 2.89Å | ||
| 234 | A | 63.5 | Low | 60.1 | Low | 18 Ų | 18 | 75.8 Ų | 75.8 | 15% | 0.149 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -57.2 | -31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C213 L282 L283 | C213-A234 WeakPolarHBondContact O-CB 3.27Å; A234-L282 HydrophobicContact CB-CD2 4.34Å; A234-L282 CarbonylContact O-C 3.5Å; A234-L282 VanDerWaalsContact O-CA 3.24Å; A234-L282 WeakPolarHBondContact O-CA 3.22Å; A234-L283 PolarHBondContact O-N 3.36Å |
| 235 | S | 81.5 | Confident | 63 | Low | 20 Ų | 20 | 69.7 Ų | 69.7 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | B | Isolated β-bridge | trans | -76 | 132.7 | -176.6 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | S233 I237 A238 Y239 R279 | S233-S235 PolarHBondContact O-N 3.27Å; S233-S235 PolarHBondContact OG-N 2.89Å; S235-I237 VanDerWaalsContact C-N 3.3Å; S235-I237 PolarHBondContact O-N 3.23Å; S235-A238 PolarHBondContact O-N 2.98Å; S235-A238 VanDerWaalsContact O-N 3.11Å; S235-Y239 PolarHBondContact O-N 2.91Å; S235-R279 PolarHBondContact OG-O 3.07Å |
| 236 | L | 89 | Confident | 65.8 | Low | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.7 | -33.6 | -175.9 | -173.7 | 56.8 | 0 | 0 | 0 | 111.8 | A238 Y239 V240 F255 I259 L278 C281 L283 A288 | L236-A238 VanDerWaalsContact C-N 3.29Å; L236-A238 PolarHBondContact O-N 3.09Å; L236-Y239 HydrophobicContact CD1-CD1 4.01Å; L236-Y239 PolarHBondContact O-N 2.72Å; L236-V240 HydrophobicContact CD1-CG1 4.38Å; L236-V240 WeakPolarHBondContact O-CG1 3.4Å; L236-V240 PolarHBondContact O-N 3.23Å; L236-F255 HydrophobicContact CD1-CD2 3.88Å; L236-F255 HydrophobicContact CD1-CE2 3.73Å; L236-F255 HydrophobicContact CD1-CG 4.38Å; L236-F255 HydrophobicContact CD1-CZ 4.09Å; L236-F255 HydrophobicContact CD2-CB 4.32Å; L236-F255 HydrophobicContact CD2-CD2 4.45Å; L236-F255 HydrophobicContact CD2-CG 4.37Å; L236-I259 HydrophobicContact CD2-CD1 4.21Å; L236-L278 HydrophobicContact CB-CD1 4.27Å; L236-L278 HydrophobicContact CB-CG 4.48Å; L236-L278 HydrophobicContact CD2-CD1 3.65Å; L236-L278 HydrophobicContact CG-CD1 3.83Å; L236-L278 HydrophobicContact CG-CG 4.37Å; L236-C281 HydrophobicContact CB-CB 3.95Å; L236-C281 VanDerWaalsContact CB-O 3.26Å; L236-C281 WeakPolarHBondContact CB-O 3.5Å; L236-C281 HydrophobicContact CD2-CB 4Å; L236-C281 PolarHBondContact N-O 3.48Å; L236-L283 HydrophobicContact CD1-CD2 4.47Å; L236-A288 HydrophobicContact CD2-CB 4.11Å |
| 237 | I | 89.1 | Confident | 68.7 | Low | 20 Ų | 20 | 63.9 Ų | 63.9 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 174.2 | -160.1 | 172.6 | 0 | 0 | 0 | 111.9 | S235 V240 R241 L278 R279 E342 | S235-I237 VanDerWaalsContact C-N 3.3Å; S235-I237 PolarHBondContact O-N 3.23Å; I237-V240 VanDerWaalsContact O-CG2 3.26Å; I237-V240 WeakPolarHBondContact O-CG2 3.32Å; I237-R241 WeakPolarHBondContact O-CB 3.4Å; I237-R241 WeakPolarHBondContact O-CD 3.39Å; I237-R241 WeakPolarHBondContact O-CG 3.38Å; I237-R241 PolarHBondContact O-N 3Å; I237-L278 HydrophobicContact CB-CB 4.28Å; I237-L278 HydrophobicContact CB-CD2 4.22Å; I237-L278 HydrophobicContact CB-CG 4.12Å; I237-L278 HydrophobicContact CG1-CB 4.49Å; I237-L278 HydrophobicContact CG1-CD2 4.21Å; I237-L278 PolarHBondContact N-O 2.7Å; I237-R279 HydrophobicContact CD1-CB 4.5Å; I237-R279 HydrophobicContact CG2-CB 4Å; I237-E342 WeakPolarHBondContact CD1-OE1 3.07Å |
| 238 | A | 84.1 | Confident | 71.7 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -74.8 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | S235 L236 V240 R241 D242 | S235-A238 PolarHBondContact O-N 2.98Å; S235-A238 VanDerWaalsContact O-N 3.11Å; L236-A238 VanDerWaalsContact C-N 3.29Å; L236-A238 PolarHBondContact O-N 3.09Å; A238-V240 VanDerWaalsContact C-N 3.33Å; A238-V240 PolarHBondContact O-N 3.34Å; A238-R241 PolarHBondContact O-N 2.92Å; A238-D242 WeakPolarHBondContact O-CB 3.45Å; A238-D242 PolarHBondContact O-N 3.08Å |
| 239 | Y | 88.3 | Confident | 74.6 | Confident | 19 Ų | 19 | 66 Ų | 66 | 8% | 0.075 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.2 | -42.4 | 172.8 | 177.3 | -103.8 | 0 | 0 | 0 | 112.6 | S235 L236 N243 I247 R251 F255 L283 | S235-Y239 PolarHBondContact O-N 2.91Å; L236-Y239 HydrophobicContact CD1-CD1 4.01Å; L236-Y239 PolarHBondContact O-N 2.72Å; Y239-N243 WeakPolarHBondContact CE2-ND2 3.45Å; Y239-N243 WeakPolarHBondContact O-CB 3.26Å; Y239-N243 PolarHBondContact O-N 2.78Å; Y239-N243 PolarHBondContact O-ND2 3.07Å; Y239-I247 HydrophobicContact CD1-CD1 3.81Å; Y239-I247 HydrophobicContact CE1-CD1 3.44Å; Y239-I247 VanDerWaalsContact CE1-CD1 3.44Å; Y239-I247 HydrophobicContact CE1-CG1 4.13Å; Y239-R251 PolarHBondContact OH-NH1 3.02Å; Y239-R251 PolarHBondContact OH-NH2 3.5Å; Y239-F255 HydrophobicContact CD1-CE2 4.23Å; Y239-F255 HydrophobicContact CD1-CZ 4.39Å; Y239-F255 AromaticContact CE1-CE2 3.99Å; Y239-F255 HydrophobicContact CE1-CE2 3.99Å; Y239-F255 HydrophobicContact CE1-CZ 4.05Å; Y239-L283 HydrophobicContact CD1-CD2 3.63Å; Y239-L283 HydrophobicContact CD2-CD2 3.84Å; Y239-L283 HydrophobicContact CE1-CD2 4.01Å; Y239-L283 HydrophobicContact CE2-CD2 4.24Å; Y239-L283 HydrophobicContact CG-CD2 3.55Å |
| 240 | V | 90.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.5 | -38 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | L236 I237 A238 N243 K244 I247 L278 L343 | L236-V240 HydrophobicContact CD1-CG1 4.38Å; L236-V240 WeakPolarHBondContact O-CG1 3.4Å; L236-V240 PolarHBondContact O-N 3.23Å; I237-V240 VanDerWaalsContact O-CG2 3.26Å; I237-V240 WeakPolarHBondContact O-CG2 3.32Å; A238-V240 VanDerWaalsContact C-N 3.33Å; A238-V240 PolarHBondContact O-N 3.34Å; V240-N243 CarbonylContact O-C 3.48Å; V240-N243 VanDerWaalsContact O-C 3.24Å; V240-N243 PolarHBondContact O-N 3.21Å; V240-K244 WeakPolarHBondContact O-CA 3.27Å; V240-K244 PolarHBondContact O-N 3.16Å; V240-I247 HydrophobicContact CB-CD1 4.01Å; V240-I247 HydrophobicContact CG1-CD1 3.7Å; V240-L278 HydrophobicContact CG2-CD2 3.86Å; V240-L343 HydrophobicContact CG1-CD1 3.74Å |
| 241 | R | 89 | Confident | 80.1 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 175.8 | -75 | 171.1 | 173.7 | -175.7 | -2.9 | 112 | I237 A238 N243 K244 D346 G347 H349 | I237-R241 WeakPolarHBondContact O-CB 3.4Å; I237-R241 WeakPolarHBondContact O-CD 3.39Å; I237-R241 WeakPolarHBondContact O-CG 3.38Å; I237-R241 PolarHBondContact O-N 3Å; A238-R241 PolarHBondContact O-N 2.92Å; R241-N243 PolarHBondContact O-N 3.03Å; R241-K244 PolarHBondContact O-N 3.02Å; R241-D346 WeakPolarHBondContact CG-O 3.22Å; R241-G347 PolarHBondContact NE-O 3.36Å; R241-G347 PolarHBondContact NH2-O 3.24Å; R241-H349 PolarHBondContact NH2-CD2 3.16Å; R241-H349 PolarHBondContact NH2-NE2 3.29Å |
| 242 | D | 83.6 | Confident | 83 | Confident | 73 Ų | 73 | 57.8 Ų | 57.8 | 39% | 0.39 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -23.2 | 176.2 | -78.5 | -23 | 0 | 0 | 0 | 112.7 | L232 A238 | L232-D242 HydrophobicContact CD2-CB 4.07Å; A238-D242 WeakPolarHBondContact O-CB 3.45Å; A238-D242 PolarHBondContact O-N 3.08Å |
| 243 | N | 85.5 | Confident | 85.7 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 27.1 | -179 | -64.6 | -91.8 | 0 | 0 | 0 | 113.1 | Y239 V240 R241 G245 K246 I247 | Y239-N243 WeakPolarHBondContact CE2-ND2 3.45Å; Y239-N243 WeakPolarHBondContact O-CB 3.26Å; Y239-N243 PolarHBondContact O-N 2.78Å; Y239-N243 PolarHBondContact O-ND2 3.07Å; V240-N243 CarbonylContact O-C 3.48Å; V240-N243 VanDerWaalsContact O-C 3.24Å; V240-N243 PolarHBondContact O-N 3.21Å; R241-N243 PolarHBondContact O-N 3.03Å; N243-G245 PolarHBondContact O-N 3.39Å; N243-K246 HydrophobicContact CB-CB 4.46Å; N243-K246 WeakPolarHBondContact O-CB 3.2Å; N243-K246 PolarHBondContact O-N 2.81Å; N243-I247 HydrophobicContact CB-CD1 3.92Å; N243-I247 HydrophobicContact CB-CG1 3.78Å |
| 244 | K | 87.6 | Confident | 87.9 | Confident | 134 Ų | 134 | 59.1 Ų | 59.1 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 131.1 | -179.8 | -178.8 | 163.6 | -173.8 | 172.2 | 0 | 111.8 | V240 R241 K246 D346 | V240-K244 WeakPolarHBondContact O-CA 3.27Å; V240-K244 PolarHBondContact O-N 3.16Å; R241-K244 PolarHBondContact O-N 3.02Å; K244-K246 PolarHBondContact O-N 3.12Å; K244-D346 WeakPolarHBondContact CA-OD2 3.35Å; K244-D346 HydrophobicContact CB-CB 4.04Å; K244-D346 HydrophobicContact CD-CB 4.28Å; K244-D346 HydrophobicContact CG-CB 3.78Å |
| 245 | G | 88.4 | Confident | 89.5 | Confident | 72 Ų | 72 | 58.3 Ų | 58.3 | 74% | 0.742 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -10.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N243 D346 | N243-G245 PolarHBondContact O-N 3.39Å; G245-D346 PolarHBondContact N-OD2 2.67Å |
| 246 | K | 88.7 | Confident | 90.2 | Very high | 159 Ų | 159 | 57.3 Ų | 57.3 | 69% | 0.691 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -19.7 | -174.5 | -57 | 171.1 | -172.3 | 168.2 | 0 | 113.4 | N243 K244 R248 | N243-K246 HydrophobicContact CB-CB 4.46Å; N243-K246 WeakPolarHBondContact O-CB 3.2Å; N243-K246 PolarHBondContact O-N 2.81Å; K244-K246 PolarHBondContact O-N 3.12Å; K246-R248 PolarHBondContact O-N 2.89Å |
| 247 | I | 89.6 | Confident | 90.6 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.082 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -83.3 | 101.6 | -178.6 | -58 | 173.9 | 0 | 0 | 0 | 110 | Y239 V240 N243 A249 R251 K252 | Y239-I247 HydrophobicContact CD1-CD1 3.81Å; Y239-I247 HydrophobicContact CE1-CD1 3.44Å; Y239-I247 VanDerWaalsContact CE1-CD1 3.44Å; Y239-I247 HydrophobicContact CE1-CG1 4.13Å; V240-I247 HydrophobicContact CB-CD1 4.01Å; V240-I247 HydrophobicContact CG1-CD1 3.7Å; N243-I247 HydrophobicContact CB-CD1 3.92Å; N243-I247 HydrophobicContact CB-CG1 3.78Å; I247-A249 PolarHBondContact O-N 3.16Å; I247-R251 HydrophobicContact CG2-CB 3.98Å; I247-R251 HydrophobicContact CG2-CG 4.17Å; I247-K252 HydrophobicContact CG2-CG 3.74Å; I247-K252 WeakPolarHBondContact O-CE 3.47Å |
| 248 | R | 91.4 | Very high | 91 | Very high | 212 Ų | 212 | 61.5 Ų | 61.5 | 80% | 0.8 | 29% | 0.289 | S | S | * | . | trans | -49 | 137.3 | 171.9 | -76.2 | 179.5 | 160 | 157.4 | -4.8 | 111.7 | K246 E250 R251 K252 | K246-R248 PolarHBondContact O-N 2.89Å; R248-E250 PolarHBondContact O-N 3.41Å; R248-R251 WeakPolarHBondContact O-CB 3.16Å; R248-R251 PolarHBondContact O-N 3.48Å; R248-K252 PolarHBondContact O-N 3.1Å | ||
| 249 | A | 90.4 | Very high | 91.7 | Very high | 33 Ų | 33 | 60.3 Ų | 60.3 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -52.1 | -31.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I247 R251 K252 L253 F344 P384 | I247-A249 PolarHBondContact O-N 3.16Å; A249-R251 VanDerWaalsContact C-N 3.29Å; A249-R251 PolarHBondContact O-N 2.9Å; A249-K252 WeakPolarHBondContact O-CB 3.31Å; A249-K252 PolarHBondContact O-N 3.3Å; A249-K252 VanDerWaalsContact O-N 3.17Å; A249-L253 WeakPolarHBondContact O-CB 3.04Å; A249-L253 PolarHBondContact O-N 3.24Å; A249-F344 HydrophobicContact CB-CE1 4.26Å; A249-P384 HydrophobicContact CB-CG 4.47Å |
| 250 | E | 90.2 | Very high | 92.2 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -36.1 | 174 | -159.9 | 64.1 | -158.2 | 0 | 0 | 113.4 | R248 R254 K419 | R248-E250 PolarHBondContact O-N 3.41Å; E250-R254 PolarHBondContact O-N 3.08Å; E250-R254 VanDerWaalsContact O-N 3.16Å; E250-K419 IonicContact OE2-NZ 3.21Å; E250-K419 PolarHBondContact OE2-NZ 3.03Å |
| 251 | R | 92.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -77.3 | -34.6 | 175.5 | -173 | 170.6 | -179.6 | 161.2 | 0.1 | 111.2 | Y239 I247 R248 A249 R254 F255 | Y239-R251 PolarHBondContact OH-NH1 3.02Å; Y239-R251 PolarHBondContact OH-NH2 3.5Å; I247-R251 HydrophobicContact CG2-CB 3.98Å; I247-R251 HydrophobicContact CG2-CG 4.17Å; R248-R251 WeakPolarHBondContact O-CB 3.16Å; R248-R251 PolarHBondContact O-N 3.48Å; A249-R251 VanDerWaalsContact C-N 3.29Å; A249-R251 PolarHBondContact O-N 2.9Å; R251-R254 PolarHBondContact O-N 3.05Å; R251-F255 HydrophobicContact CG-CD2 4.47Å; R251-F255 HydrophobicContact CG-CE1 4.35Å; R251-F255 HydrophobicContact CG-CE2 3.88Å; R251-F255 HydrophobicContact CG-CZ 3.84Å; R251-F255 WeakPolarHBondContact O-CD2 3.26Å; R251-F255 WeakPolarHBondContact O-CG 3.46Å; R251-F255 PolarHBondContact O-N 2.87Å; R251-F255 VanDerWaalsContact O-N 3.07Å |
| 252 | K | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 171.5 | -58.3 | -164.8 | 178.6 | -159.7 | 0 | 111.3 | I247 R248 A249 R254 F255 C256 L343 F344 D346 | I247-K252 HydrophobicContact CG2-CG 3.74Å; I247-K252 WeakPolarHBondContact O-CE 3.47Å; R248-K252 PolarHBondContact O-N 3.1Å; A249-K252 WeakPolarHBondContact O-CB 3.31Å; A249-K252 PolarHBondContact O-N 3.3Å; A249-K252 VanDerWaalsContact O-N 3.17Å; K252-R254 VanDerWaalsContact C-N 3.31Å; K252-R254 PolarHBondContact O-N 3.48Å; K252-F255 WeakPolarHBondContact O-CA 3.4Å; K252-F255 WeakPolarHBondContact O-CB 3.11Å; K252-F255 PolarHBondContact O-N 3.19Å; K252-C256 PolarHBondContact O-N 3.14Å; K252-C256 PolarHBondContact O-SG 3.04Å; K252-L343 HydrophobicContact CB-CD1 4.25Å; K252-L343 HydrophobicContact CB-CD2 4.41Å; K252-L343 HydrophobicContact CB-CG 4.16Å; K252-L343 HydrophobicContact CD-CD1 4.38Å; K252-L343 HydrophobicContact CD-CG 4.49Å; K252-L343 WeakPolarHBondContact CD-O 3.21Å; K252-L343 WeakPolarHBondContact CE-O 3.36Å; K252-L343 HydrophobicContact CG-CD1 4.1Å; K252-L343 HydrophobicContact CG-CG 4.42Å; K252-L343 PolarHBondContact NZ-O 2.94Å; K252-F344 HydrophobicContact CB-CD1 4.42Å; K252-F344 HydrophobicContact CB-CE1 3.81Å; K252-F344 HydrophobicContact CB-CE2 3.92Å; K252-F344 HydrophobicContact CB-CZ 3.54Å; K252-F344 HydrophobicContact CD-CD1 3.69Å; K252-F344 HydrophobicContact CD-CE1 3.83Å; K252-F344 HydrophobicContact CD-CG 4.09Å; K252-F344 HydrophobicContact CD-CZ 4.36Å; K252-F344 HydrophobicContact CG-CE1 4.39Å; K252-F344 PolarHBondContact NZ-O 2.86Å; K252-D346 WeakPolarHBondContact CE-OD1 3.33Å; K252-D346 IonicContact NZ-OD1 3.99Å; K252-D346 PolarHBondContact NZ-OD1 3.44Å; K252-D346 IonicContact NZ-OD2 2.67Å |
| 253 | L | 94.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -42.4 | 174.8 | 179.2 | 60.3 | 0 | 0 | 0 | 112 | A249 F255 C256 R257 V387 L412 | A249-L253 WeakPolarHBondContact O-CB 3.04Å; A249-L253 PolarHBondContact O-N 3.24Å; L253-F255 VanDerWaalsContact C-N 3.35Å; L253-F255 PolarHBondContact O-N 2.02Å; L253-C256 WeakPolarHBondContact O-CB 3.37Å; L253-C256 PolarHBondContact O-N 3.15Å; L253-R257 PolarHBondContact O-N 3.08Å; L253-V387 HydrophobicContact CD1-CG2 3.82Å; L253-L412 HydrophobicContact CD1-CD2 3.76Å |
| 254 | R | 94.5 | Very high | 94.3 | Very high | 139 Ų | 139 | 52.5 Ų | 52.5 | 53% | 0.525 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 173.5 | -167.9 | -171.8 | -60.8 | -171.1 | -1.4 | 112.3 | E250 R251 K252 R257 H258 | E250-R254 PolarHBondContact O-N 3.08Å; E250-R254 VanDerWaalsContact O-N 3.16Å; R251-R254 PolarHBondContact O-N 3.05Å; K252-R254 VanDerWaalsContact C-N 3.31Å; K252-R254 PolarHBondContact O-N 3.48Å; R254-R257 PolarHBondContact O-N 3.09Å; R254-H258 PolarHBondContact O-N 3.12Å; R254-H258 PolarHBondContact O-ND1 3.3Å |
| 255 | F | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 175.4 | -63 | -31.9 | 0 | 0 | 0 | 112.4 | L236 Y239 R251 K252 L253 R257 H258 I259 L283 A288 L343 | L236-F255 HydrophobicContact CD1-CD2 3.88Å; L236-F255 HydrophobicContact CD1-CE2 3.73Å; L236-F255 HydrophobicContact CD1-CG 4.38Å; L236-F255 HydrophobicContact CD1-CZ 4.09Å; L236-F255 HydrophobicContact CD2-CB 4.32Å; L236-F255 HydrophobicContact CD2-CD2 4.45Å; L236-F255 HydrophobicContact CD2-CG 4.37Å; Y239-F255 HydrophobicContact CD1-CE2 4.23Å; Y239-F255 HydrophobicContact CD1-CZ 4.39Å; Y239-F255 AromaticContact CE1-CE2 3.99Å; Y239-F255 HydrophobicContact CE1-CE2 3.99Å; Y239-F255 HydrophobicContact CE1-CZ 4.05Å; R251-F255 HydrophobicContact CG-CD2 4.47Å; R251-F255 HydrophobicContact CG-CE1 4.35Å; R251-F255 HydrophobicContact CG-CE2 3.88Å; R251-F255 HydrophobicContact CG-CZ 3.84Å; R251-F255 WeakPolarHBondContact O-CD2 3.26Å; R251-F255 WeakPolarHBondContact O-CG 3.46Å; R251-F255 PolarHBondContact O-N 2.87Å; R251-F255 VanDerWaalsContact O-N 3.07Å; K252-F255 WeakPolarHBondContact O-CA 3.4Å; K252-F255 WeakPolarHBondContact O-CB 3.11Å; K252-F255 PolarHBondContact O-N 3.19Å; L253-F255 VanDerWaalsContact C-N 3.35Å; L253-F255 PolarHBondContact O-N 2.02Å; F255-R257 PolarHBondContact O-N 2.92Å; F255-H258 WeakPolarHBondContact O-CB 3.44Å; F255-H258 PolarHBondContact O-N 2.82Å; F255-I259 VanDerWaalsContact O-CG1 3.32Å; F255-I259 WeakPolarHBondContact O-CG1 2.97Å; F255-I259 PolarHBondContact O-N 3.11Å; F255-L283 HydrophobicContact CD1-CD1 4.42Å; F255-L283 HydrophobicContact CE1-CD1 3.48Å; F255-L283 VanDerWaalsContact CE1-CD1 3.48Å; F255-L283 HydrophobicContact CZ-CD1 3.74Å; F255-L283 HydrophobicContact CZ-CD2 4.31Å; F255-A288 HydrophobicContact CB-CB 4.46Å; F255-A288 HydrophobicContact CD1-CB 3.95Å; F255-A288 HydrophobicContact CG-CB 4.48Å; F255-L343 HydrophobicContact CB-CD2 3.83Å; F255-L343 HydrophobicContact CD2-CD1 4.05Å |
| 256 | C | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.1 | -51.5 | 172.4 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | K252 L253 H258 I259 A260 Y336 I340 L343 L412 | K252-C256 PolarHBondContact O-N 3.14Å; K252-C256 PolarHBondContact O-SG 3.04Å; L253-C256 WeakPolarHBondContact O-CB 3.37Å; L253-C256 PolarHBondContact O-N 3.15Å; C256-H258 PolarHBondContact O-N 3.31Å; C256-I259 PolarHBondContact O-N 3.04Å; C256-A260 WeakPolarHBondContact O-CB 3Å; C256-A260 PolarHBondContact O-N 3.43Å; C256-Y336 PolarHBondContact O-OH 3.48Å; C256-I340 HydrophobicContact CB-CG2 4.16Å; C256-L343 VanDerWaalsContact SG-CD2 3.6Å; C256-L412 HydrophobicContact CB-CD1 4.2Å; C256-L412 HydrophobicContact CB-CD2 4.08Å |
| 257 | R | 97.6 | Very high | 95.7 | Very high | 90 Ų | 90 | 38.4 Ų | 38.4 | 34% | 0.34 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 177.8 | -168.3 | -168.3 | 66.9 | 176.9 | 2.1 | 111.9 | L253 R254 F255 I259 A260 C261 R409 L412 | L253-R257 PolarHBondContact O-N 3.08Å; R254-R257 PolarHBondContact O-N 3.09Å; F255-R257 PolarHBondContact O-N 2.92Å; R257-I259 PolarHBondContact O-N 3.01Å; R257-A260 PolarHBondContact O-N 2.8Å; R257-C261 PolarHBondContact O-N 2.56Å; R257-C261 PolarHBondContact O-SG 3.13Å; R257-R409 HydrophobicContact CG-CG 4.46Å; R257-L412 HydrophobicContact CB-CB 4.43Å; R257-L412 HydrophobicContact CB-CD1 4.37Å |
| 258 | H | 97.5 | Very high | 96 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.7 | -48.2 | 176.3 | -71.9 | 164.4 | 0 | 0 | 0 | 112.3 | N192 R254 F255 C256 C261 G262 A288 | N192-H258 WeakPolarHBondContact CB-O 3.29Å; N192-H258 VanDerWaalsContact CG-O 3.31Å; N192-H258 VanDerWaalsContact ND2-CB 3.31Å; N192-H258 WeakPolarHBondContact ND2-CB 3.36Å; R254-H258 PolarHBondContact O-N 3.12Å; R254-H258 PolarHBondContact O-ND1 3.3Å; F255-H258 WeakPolarHBondContact O-CB 3.44Å; F255-H258 PolarHBondContact O-N 2.82Å; C256-H258 PolarHBondContact O-N 3.31Å; H258-C261 PolarHBondContact O-N 3.15Å; H258-G262 PolarHBondContact O-N 2.79Å; H258-A288 HydrophobicContact CB-CB 3.87Å; H258-A288 PolarHBondContact ND1-N 3.21Å |
| 259 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 178.1 | -62.1 | 164.2 | 0 | 0 | 0 | 110 | L236 F255 C256 R257 C261 G262 M263 L276 L278 C281 V290 Y336 T339 | L236-I259 HydrophobicContact CD2-CD1 4.21Å; F255-I259 VanDerWaalsContact O-CG1 3.32Å; F255-I259 WeakPolarHBondContact O-CG1 2.97Å; F255-I259 PolarHBondContact O-N 3.11Å; C256-I259 PolarHBondContact O-N 3.04Å; R257-I259 PolarHBondContact O-N 3.01Å; I259-C261 PolarHBondContact O-N 2.8Å; I259-G262 PolarHBondContact O-N 3.38Å; I259-G262 VanDerWaalsContact O-N 3.14Å; I259-M263 HydrophobicContact CG2-CG 4.42Å; I259-M263 WeakPolarHBondContact O-CG 3.49Å; I259-M263 PolarHBondContact O-N 2.82Å; I259-L276 HydrophobicContact CG2-CD1 4.19Å; I259-L278 HydrophobicContact CD1-CD1 4.5Å; I259-C281 HydrophobicContact CD1-CB 4.43Å; I259-V290 HydrophobicContact CG2-CG2 4.26Å; I259-Y336 HydrophobicContact CB-CE2 4.08Å; I259-Y336 HydrophobicContact CG2-CD2 3.77Å; I259-Y336 HydrophobicContact CG2-CE2 3.84Å; I259-T339 HydrophobicContact CD1-CG2 4.08Å |
| 260 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.7 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C256 R257 G262 M263 E264 Y336 I408 R409 L412 | C256-A260 WeakPolarHBondContact O-CB 3Å; C256-A260 PolarHBondContact O-N 3.43Å; R257-A260 PolarHBondContact O-N 2.8Å; A260-G262 VanDerWaalsContact C-N 3.33Å; A260-G262 PolarHBondContact O-N 3.24Å; A260-M263 PolarHBondContact O-N 2.85Å; A260-E264 WeakPolarHBondContact O-CB 3.46Å; A260-E264 PolarHBondContact O-N 3.31Å; A260-Y336 HydrophobicContact CB-CE2 4.07Å; A260-I408 HydrophobicContact CB-CG2 3.82Å; A260-R409 HydrophobicContact CB-CB 4.47Å; A260-L412 HydrophobicContact CB-CD1 3.9Å |
| 261 | C | 98.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 34.1 Ų | 34.1 | 12% | 0.122 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | 173.8 | -59.6 | 0 | 0 | 0 | 0 | 112 | H190 R257 H258 I259 M263 Y265 R409 | H190-C261 VanDerWaalsContact CE1-C 3.48Å; H190-C261 PolarHBondContact CE1-O 2.66Å; H190-C261 VanDerWaalsContact CE1-O 3.23Å; R257-C261 PolarHBondContact O-N 2.56Å; R257-C261 PolarHBondContact O-SG 3.13Å; H258-C261 PolarHBondContact O-N 3.15Å; I259-C261 PolarHBondContact O-N 2.8Å; C261-M263 VanDerWaalsContact C-N 3.33Å; C261-Y265 PolarHBondContact O-N 3.06Å; C261-Y265 VanDerWaalsContact O-N 3.16Å; C261-R409 WeakPolarHBondContact SG-CD 3.17Å |
| 262 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H258 I259 A260 Y265 I266 | H258-G262 PolarHBondContact O-N 2.79Å; I259-G262 PolarHBondContact O-N 3.38Å; I259-G262 VanDerWaalsContact O-N 3.14Å; A260-G262 VanDerWaalsContact C-N 3.33Å; A260-G262 PolarHBondContact O-N 3.24Å; G262-Y265 WeakPolarHBondContact O-CB 3.44Å; G262-Y265 PolarHBondContact O-N 2.97Å; G262-I266 WeakPolarHBondContact O-CD1 3.34Å; G262-I266 VanDerWaalsContact O-CG1 3.27Å; G262-I266 WeakPolarHBondContact O-CG1 3.35Å; G262-I266 PolarHBondContact O-N 2.98Å |
| 263 | M | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -76 | -34.7 | -179.8 | -67.8 | -55.7 | -56.3 | 0 | 0 | 114.1 | I259 A260 C261 Y265 I266 A267 H273 L276 V290 D332 F405 | I259-M263 HydrophobicContact CG2-CG 4.42Å; I259-M263 WeakPolarHBondContact O-CG 3.49Å; I259-M263 PolarHBondContact O-N 2.82Å; A260-M263 PolarHBondContact O-N 2.85Å; C261-M263 VanDerWaalsContact C-N 3.33Å; M263-Y265 VanDerWaalsContact C-N 3.27Å; M263-Y265 PolarHBondContact O-N 3.01Å; M263-I266 HydrophobicContact CE-CG2 4.26Å; M263-I266 PolarHBondContact O-N 2.86Å; M263-I266 HydrophobicContact SD-CD1 3.77Å; M263-A267 WeakPolarHBondContact O-CB 3.21Å; M263-A267 PolarHBondContact O-N 3.12Å; M263-H273 HydrophobicContact CE-CB 3.96Å; M263-L276 HydrophobicContact CE-CD2 4.07Å; M263-L276 HydrophobicContact CG-CD1 4.39Å; M263-L276 HydrophobicContact CG-CD2 3.77Å; M263-L276 HydrophobicContact SD-CD1 4.04Å; M263-L276 HydrophobicContact SD-CD2 3.88Å; M263-L276 HydrophobicContact SD-CG 4.45Å; M263-V290 HydrophobicContact CG-CG2 4.38Å; M263-V290 HydrophobicContact SD-CG1 4Å; M263-V290 HydrophobicContact SD-CG2 4.29Å; M263-D332 HydrophobicContact CE-CB 3.8Å; M263-F405 HydrophobicContact CB-CB 4.44Å; M263-F405 HydrophobicContact CB-CD1 3.4Å; M263-F405 VanDerWaalsContact CB-CD1 3.4Å; M263-F405 HydrophobicContact CB-CD2 3.77Å; M263-F405 HydrophobicContact CB-CE1 3.39Å; M263-F405 HydrophobicContact CB-CE2 3.76Å; M263-F405 HydrophobicContact CB-CG 3.6Å; M263-F405 HydrophobicContact CB-CZ 3.57Å; M263-F405 HydrophobicContact CE-CE2 3.83Å; M263-F405 HydrophobicContact CE-CZ 3.82Å; M263-F405 HydrophobicContact CG-CD1 4.34Å; M263-F405 HydrophobicContact CG-CE1 3.87Å; M263-F405 HydrophobicContact CG-CE2 4.47Å; M263-F405 HydrophobicContact CG-CZ 3.94Å |
| 264 | E | 98.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 31 Ų | 31 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -41.9 | 169.7 | -174.5 | -177.2 | -163.3 | 0 | 0 | 110.5 | A260 S268 F405 K406 R409 | A260-E264 WeakPolarHBondContact O-CB 3.46Å; A260-E264 PolarHBondContact O-N 3.31Å; E264-S268 WeakPolarHBondContact O-CB 3.26Å; E264-S268 PolarHBondContact O-N 3.45Å; E264-F405 HydrophobicContact CB-CB 3.87Å; E264-K406 HydrophobicContact CG-CB 4.25Å; E264-K406 WeakPolarHBondContact OE1-CA 3.46Å; E264-K406 WeakPolarHBondContact OE1-CB 3.46Å; E264-K406 WeakPolarHBondContact OE1-CG 3.45Å; E264-R409 IonicContact OE1-CZ 2.67Å; E264-R409 IonicContact OE1-NE 2.72Å; E264-R409 IonicContact OE1-NH2 3.11Å; E264-R409 PolarHBondContact OE1-NH2 3.28Å; E264-R409 VanDerWaalsContact OE1-NH2 3.15Å; E264-R409 WeakPolarHBondContact OE2-CD 3.19Å; E264-R409 IonicContact OE2-CZ 3.58Å; E264-R409 IonicContact OE2-NE 2.7Å; E264-R409 PolarHBondContact OE2-NE 2.76Å; E264-R409 IonicContact OE2-NH2 3.29Å |
| 265 | Y | 98.1 | Very high | 97.1 | Very high | 42 Ų | 42 | 25.3 Ų | 25.3 | 17% | 0.165 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 174.1 | -178.9 | -90 | 0 | 0 | 0 | 112.3 | L188 L189 H190 V193 C261 G262 M263 S268 K269 | L188-Y265 HydrophobicContact CB-CE1 4.2Å; L188-Y265 HydrophobicContact CD2-CD1 4.4Å; L188-Y265 HydrophobicContact CD2-CE1 3.83Å; L189-Y265 PolarHBondContact N-OH 2.85Å; L189-Y265 WeakPolarHBondContact O-CE2 3.29Å; L189-Y265 VanDerWaalsContact O-CZ 3.27Å; L189-Y265 PolarHBondContact O-OH 3.45Å; H190-Y265 HydrophobicContact CB-CD1 3.66Å; H190-Y265 HydrophobicContact CB-CD2 3.82Å; H190-Y265 HydrophobicContact CB-CE1 3.88Å; H190-Y265 HydrophobicContact CB-CE2 4Å; H190-Y265 HydrophobicContact CB-CG 3.62Å; H190-Y265 AromaticContact CD2-CD2 3.65Å; H190-Y265 AromaticContact CD2-CG 3.84Å; H190-Y265 AromaticContact CG-CD2 3.86Å; H190-Y265 AromaticContact CG-CG 3.66Å; V193-Y265 HydrophobicContact CG2-CD1 4.32Å; C261-Y265 PolarHBondContact O-N 3.06Å; C261-Y265 VanDerWaalsContact O-N 3.16Å; G262-Y265 WeakPolarHBondContact O-CB 3.44Å; G262-Y265 PolarHBondContact O-N 2.97Å; M263-Y265 VanDerWaalsContact C-N 3.27Å; M263-Y265 PolarHBondContact O-N 3.01Å; Y265-S268 WeakPolarHBondContact O-CB 3.49Å; Y265-S268 PolarHBondContact O-N 2.83Å; Y265-S268 PolarHBondContact O-OG 3.29Å; Y265-K269 HydrophobicContact CD1-CG 4.36Å; Y265-K269 HydrophobicContact CE1-CG 3.98Å; Y265-K269 VanDerWaalsContact CZ-CE 3.42Å; Y265-K269 WeakPolarHBondContact O-CG 3.31Å; Y265-K269 PolarHBondContact O-N 3.42Å; Y265-K269 VanDerWaalsContact O-N 3.13Å; Y265-K269 WeakPolarHBondContact OH-CE 3.18Å |
| 266 | I | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 178.7 | -73.6 | 161.1 | 0 | 0 | 0 | 111.2 | V193 G262 M263 S268 K269 L271 V290 F293 | V193-I266 HydrophobicContact CG2-CD1 4.02Å; V193-I266 HydrophobicContact CG2-CG1 4.18Å; G262-I266 WeakPolarHBondContact O-CD1 3.34Å; G262-I266 VanDerWaalsContact O-CG1 3.27Å; G262-I266 WeakPolarHBondContact O-CG1 3.35Å; G262-I266 PolarHBondContact O-N 2.98Å; M263-I266 HydrophobicContact CE-CG2 4.26Å; M263-I266 PolarHBondContact O-N 2.86Å; M263-I266 HydrophobicContact SD-CD1 3.77Å; I266-S268 VanDerWaalsContact C-N 3.35Å; I266-S268 PolarHBondContact O-N 2.87Å; I266-K269 WeakPolarHBondContact O-CB 3.19Å; I266-K269 PolarHBondContact O-N 3.05Å; I266-K269 VanDerWaalsContact O-N 3.12Å; I266-L271 HydrophobicContact CG2-CB 4.14Å; I266-L271 HydrophobicContact CG2-CD2 4.34Å; I266-L271 HydrophobicContact CG2-CG 4.31Å; I266-L271 VanDerWaalsContact CG2-O 3.25Å; I266-L271 WeakPolarHBondContact CG2-O 3.28Å; I266-L271 PolarHBondContact O-N 3.1Å; I266-V290 HydrophobicContact CD1-CB 4.14Å; I266-V290 HydrophobicContact CD1-CG1 3.7Å; I266-F293 HydrophobicContact CD1-CE1 3.78Å; I266-F293 HydrophobicContact CD1-CZ 3.85Å; I266-F293 HydrophobicContact CG1-CE1 4.17Å; I266-F293 HydrophobicContact CG1-CZ 4.44Å |
| 267 | A | 97.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 22% | 0.215 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M263 K269 Q270 E329 F405 | M263-A267 WeakPolarHBondContact O-CB 3.21Å; M263-A267 PolarHBondContact O-N 3.12Å; A267-K269 PolarHBondContact O-N 3.05Å; A267-Q270 WeakPolarHBondContact O-CA 3.46Å; A267-Q270 PolarHBondContact O-N 3.03Å; A267-E329 HydrophobicContact CB-CG 3.93Å; A267-F405 HydrophobicContact CB-CD2 4.35Å |
| 268 | S | 96.6 | Very high | 97 | Very high | 82 Ų | 82 | 21 Ų | 21 | 57% | 0.573 | 11% | 0.111 | S | C | * | . | H | α-helix | trans | -62.4 | -26.6 | 175.7 | 83 | 0 | 0 | 0 | 0 | 113.4 | E264 Y265 I266 Q270 | E264-S268 WeakPolarHBondContact O-CB 3.26Å; E264-S268 PolarHBondContact O-N 3.45Å; Y265-S268 WeakPolarHBondContact O-CB 3.49Å; Y265-S268 PolarHBondContact O-N 2.83Å; Y265-S268 PolarHBondContact O-OG 3.29Å; I266-S268 VanDerWaalsContact C-N 3.35Å; I266-S268 PolarHBondContact O-N 2.87Å; S268-Q270 PolarHBondContact O-N 3.36Å |
| 269 | K | 95.2 | Very high | 96.7 | Very high | 86 Ų | 86 | 24.1 Ų | 24.1 | 37% | 0.374 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 3.9 | 173.4 | -64.8 | -66.3 | -175.3 | 176.6 | 0 | 113.6 | L188 Y265 I266 A267 L271 Q298 | L188-K269 HydrophobicContact CD2-CB 4.28Å; L188-K269 HydrophobicContact CD2-CG 3.96Å; Y265-K269 HydrophobicContact CD1-CG 4.36Å; Y265-K269 HydrophobicContact CE1-CG 3.98Å; Y265-K269 VanDerWaalsContact CZ-CE 3.42Å; Y265-K269 WeakPolarHBondContact O-CG 3.31Å; Y265-K269 PolarHBondContact O-N 3.42Å; Y265-K269 VanDerWaalsContact O-N 3.13Å; Y265-K269 WeakPolarHBondContact OH-CE 3.18Å; I266-K269 WeakPolarHBondContact O-CB 3.19Å; I266-K269 PolarHBondContact O-N 3.05Å; I266-K269 VanDerWaalsContact O-N 3.12Å; A267-K269 PolarHBondContact O-N 3.05Å; K269-L271 VanDerWaalsContact C-N 3.28Å; K269-L271 PolarHBondContact O-N 3.17Å; K269-Q298 PolarHBondContact O-NE2 3.3Å |
| 270 | Q | 95.7 | Very high | 96.4 | Very high | 85 Ų | 85 | 25 Ų | 25 | 40% | 0.397 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 47.2 | -173.6 | -50.6 | -172 | 34.9 | 0 | 0 | 111.3 | A267 S268 Q298 G299 R300 | A267-Q270 WeakPolarHBondContact O-CA 3.46Å; A267-Q270 PolarHBondContact O-N 3.03Å; S268-Q270 PolarHBondContact O-N 3.36Å; Q270-Q298 PolarHBondContact O-NE2 3.38Å; Q270-G299 CarbonylContact C-O 3.56Å; Q270-G299 CarbonylContact O-C 3.57Å; Q270-G299 PolarHBondContact O-N 3.04Å; Q270-G299 VanDerWaalsContact O-O 3.12Å; Q270-R300 HydrophobicContact CB-CG 4.39Å; Q270-R300 HydrophobicContact CG-CG 4.15Å |
| 271 | L | 95.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.5 | 177.6 | -178.2 | 68.5 | 0 | 0 | 0 | 108.1 | K184 L188 I266 K269 F293 A296 | K184-L271 HydrophobicContact CB-CD1 4.47Å; K184-L271 HydrophobicContact CB-CD2 4.49Å; K184-L271 HydrophobicContact CD-CD1 4.22Å; K184-L271 HydrophobicContact CG-CD1 4.03Å; L188-L271 HydrophobicContact CD1-CD2 3.95Å; L188-L271 HydrophobicContact CD2-CD2 4.21Å; I266-L271 HydrophobicContact CG2-CB 4.14Å; I266-L271 HydrophobicContact CG2-CD2 4.34Å; I266-L271 HydrophobicContact CG2-CG 4.31Å; I266-L271 VanDerWaalsContact CG2-O 3.25Å; I266-L271 WeakPolarHBondContact CG2-O 3.28Å; I266-L271 PolarHBondContact O-N 3.1Å; K269-L271 VanDerWaalsContact C-N 3.28Å; K269-L271 PolarHBondContact O-N 3.17Å; L271-F293 HydrophobicContact CD2-CD1 3.99Å; L271-F293 HydrophobicContact CD2-CE1 4.15Å; L271-A296 HydrophobicContact CD1-CB 4.09Å; L271-A296 HydrophobicContact CG-CB 4.37Å |
| 272 | I | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.8 | 176.1 | -50.7 | 156 | 0 | 0 | 0 | 107.4 | R274 A296 K297 G299 F327 D332 | I272-R274 HydrophobicContact CB-CG 4.41Å; I272-R274 HydrophobicContact CG2-CG 3.81Å; I272-A296 CarbonylContact O-C 3.46Å; I272-A296 WeakPolarHBondContact O-CA 3.39Å; I272-A296 VanDerWaalsContact O-CB 3.28Å; I272-A296 WeakPolarHBondContact O-CB 3.01Å; I272-K297 PolarHBondContact N-O 3.05Å; I272-K297 PolarHBondContact O-N 2.95Å; I272-G299 WeakPolarHBondContact CG1-O 3.35Å; I272-F327 HydrophobicContact CG2-CB 4.16Å; I272-D332 WeakPolarHBondContact CG2-OD2 3.49Å |
| 273 | H | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | trans | -76.8 | -39.1 | -172.7 | -164.6 | -41 | 0 | 0 | 0 | 112.9 | M263 D275 V290 A291 D292 D332 | M263-H273 HydrophobicContact CE-CB 3.96Å; H273-D275 PolarHBondContact O-N 3.48Å; H273-V290 WeakPolarHBondContact CD2-CG1 3.45Å; H273-V290 WeakPolarHBondContact NE2-CG1 3.21Å; H273-A291 PolarHBondContact CE1-O 2.9Å; H273-A291 PolarHBondContact NE2-O 2.97Å; H273-D292 PolarHBondContact CE1-O 2.67Å; H273-D332 PolarHBondContact N-OD1 2.83Å; H273-D332 PolarHBondContact N-OD2 3.43Å | ||
| 274 | R | 95.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 28.2 Ų | 28.2 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 62.1 | -19.2 | 178.6 | -58.1 | -179.7 | 58.2 | -127.8 | 10.4 | 117.2 | I272 Q295 M304 E310 F327 D332 | I272-R274 HydrophobicContact CB-CG 4.41Å; I272-R274 HydrophobicContact CG2-CG 3.81Å; R274-Q295 WeakPolarHBondContact CD-O 3.31Å; R274-Q295 PolarHBondContact NH1-O 3.33Å; R274-M304 PolarHBondContact NH2-SD 3.35Å; R274-M304 VanDerWaalsContact NH2-SD 3.42Å; R274-E310 IonicContact CZ-OE2 3.2Å; R274-E310 IonicContact NH1-OE2 2.63Å; R274-E310 PolarHBondContact NH1-OE2 2.87Å; R274-E310 IonicContact NH2-OE2 3.76Å; R274-E310 PolarHBondContact NH2-OE2 3.07Å; R274-F327 HydrophobicContact CB-CD1 4.14Å; R274-F327 HydrophobicContact CB-CE1 4.28Å; R274-F327 HydrophobicContact CG-CB 4.1Å; R274-F327 HydrophobicContact CG-CD1 3.63Å; R274-F327 HydrophobicContact CG-CE1 4.2Å; R274-F327 HydrophobicContact CG-CG 3.92Å; R274-D332 PolarHBondContact N-OD1 3Å |
| 275 | D | 94.8 | Very high | 94.1 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 11% | 0.112 | 16% | 0.16 | C | C | . | . | trans | -131.4 | 51.6 | 173.4 | -164.4 | 30.8 | 0 | 0 | 0 | 112.7 | H273 A277 R279 N280 Q295 P313 | H273-D275 PolarHBondContact O-N 3.48Å; D275-A277 PolarHBondContact O-N 3.34Å; D275-R279 IonicContact OD1-CZ 3.73Å; D275-R279 IonicContact OD1-NH2 2.67Å; D275-R279 PolarHBondContact OD1-NH2 3.26Å; D275-R279 IonicContact OD2-CZ 2.64Å; D275-R279 IonicContact OD2-NH2 2.73Å; D275-R279 PolarHBondContact OD2-NH2 2.94Å; D275-N280 VanDerWaalsContact CG-ND2 3.32Å; D275-N280 PolarHBondContact O-ND2 3.43Å; D275-N280 PolarHBondContact OD2-ND2 3.44Å; D275-Q295 HydrophobicContact CB-CB 4.39Å; D275-Q295 HydrophobicContact CB-CG 4.41Å; D275-P313 HydrophobicContact CB-CG 4.3Å; D275-P313 WeakPolarHBondContact OD1-CB 3.35Å; D275-P313 VanDerWaalsContact OD1-CG 3.23Å; D275-P313 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 276 | L | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -77.9 | 112.4 | 171.2 | 177.1 | 63.9 | 0 | 0 | 0 | 109.9 | I259 M263 V290 W316 A335 Y336 T339 F405 | I259-L276 HydrophobicContact CG2-CD1 4.19Å; M263-L276 HydrophobicContact CE-CD2 4.07Å; M263-L276 HydrophobicContact CG-CD1 4.39Å; M263-L276 HydrophobicContact CG-CD2 3.77Å; M263-L276 HydrophobicContact SD-CD1 4.04Å; M263-L276 HydrophobicContact SD-CD2 3.88Å; M263-L276 HydrophobicContact SD-CG 4.45Å; L276-V290 HydrophobicContact CD1-CG1 4.4Å; L276-W316 VanDerWaalsContact O-CD1 3.24Å; L276-A335 HydrophobicContact CB-CB 3.98Å; L276-A335 WeakPolarHBondContact O-CB 3.42Å; L276-Y336 HydrophobicContact CD2-CD2 4.42Å; L276-T339 PolarHBondContact O-OG1 2.93Å; L276-F405 HydrophobicContact CD2-CZ 4.45Å | ||
| 277 | A | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -148.9 | 160.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D275 R279 N280 C281 W316 T339 | D275-A277 PolarHBondContact O-N 3.34Å; A277-R279 HydrophobicContact CB-CG 3.81Å; A277-R279 VanDerWaalsContact CB-NH1 3.29Å; A277-R279 PolarHBondContact O-N 3.16Å; A277-R279 VanDerWaalsContact O-N 3.15Å; A277-N280 PolarHBondContact O-N 3.23Å; A277-C281 PolarHBondContact O-N 3.07Å; A277-W316 HydrophobicContact CB-CD2 4.12Å; A277-W316 HydrophobicContact CB-CG 4.2Å; A277-W316 HydrophobicContact CB-CZ2 4.13Å; A277-W316 VanDerWaalsContact CB-NE1 3.32Å; A277-T339 WeakPolarHBondContact CA-OG1 3.48Å | ||
| 278 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -64.3 | -25.3 | -177 | -164.6 | 68.4 | 0 | 0 | 0 | 113.1 | L236 I237 V240 I259 N280 C281 T339 E342 L343 | L236-L278 HydrophobicContact CB-CD1 4.27Å; L236-L278 HydrophobicContact CB-CG 4.48Å; L236-L278 HydrophobicContact CD2-CD1 3.65Å; L236-L278 HydrophobicContact CG-CD1 3.83Å; L236-L278 HydrophobicContact CG-CG 4.37Å; I237-L278 HydrophobicContact CB-CB 4.28Å; I237-L278 HydrophobicContact CB-CD2 4.22Å; I237-L278 HydrophobicContact CB-CG 4.12Å; I237-L278 HydrophobicContact CG1-CB 4.49Å; I237-L278 HydrophobicContact CG1-CD2 4.21Å; I237-L278 PolarHBondContact N-O 2.7Å; V240-L278 HydrophobicContact CG2-CD2 3.86Å; I259-L278 HydrophobicContact CD1-CD1 4.5Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 2.94Å; L278-C281 PolarHBondContact O-N 3.13Å; L278-T339 HydrophobicContact CB-CG2 4.25Å; L278-T339 HydrophobicContact CD1-CG2 4.07Å; L278-E342 HydrophobicContact CB-CB 3.75Å; L278-E342 HydrophobicContact CB-CG 4.29Å; L278-E342 WeakPolarHBondContact CB-OE1 3.41Å; L278-E342 WeakPolarHBondContact CB-OE2 3.43Å; L278-E342 HydrophobicContact CD2-CB 3.76Å; L278-E342 HydrophobicContact CG-CB 4.36Å; L278-E342 PolarHBondContact N-OE2 2.92Å; L278-L343 HydrophobicContact CD1-CB 4.05Å; L278-L343 HydrophobicContact CD2-CB 4.13Å |
| 279 | R | 91.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 26.6 Ų | 26.6 | 31% | 0.309 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -62.2 | -34.2 | 170.9 | 60.4 | 175.1 | -161.9 | -86.4 | 0.9 | 113.5 | S235 I237 D275 A277 C281 | S235-R279 PolarHBondContact OG-O 3.07Å; I237-R279 HydrophobicContact CD1-CB 4.5Å; I237-R279 HydrophobicContact CG2-CB 4Å; D275-R279 IonicContact OD1-CZ 3.73Å; D275-R279 IonicContact OD1-NH2 2.67Å; D275-R279 PolarHBondContact OD1-NH2 3.26Å; D275-R279 IonicContact OD2-CZ 2.64Å; D275-R279 IonicContact OD2-NH2 2.73Å; D275-R279 PolarHBondContact OD2-NH2 2.94Å; A277-R279 HydrophobicContact CB-CG 3.81Å; A277-R279 VanDerWaalsContact CB-NH1 3.29Å; A277-R279 PolarHBondContact O-N 3.16Å; A277-R279 VanDerWaalsContact O-N 3.15Å; R279-C281 VanDerWaalsContact C-N 3.32Å |
| 280 | N | 92.8 | Very high | 92.9 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 10% | 0.096 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -92.5 | 6.7 | -178.4 | -65.2 | -6.9 | 0 | 0 | 0 | 112.1 | D275 A277 L278 A291 | D275-N280 VanDerWaalsContact CG-ND2 3.32Å; D275-N280 PolarHBondContact O-ND2 3.43Å; D275-N280 PolarHBondContact OD2-ND2 3.44Å; A277-N280 PolarHBondContact O-N 3.23Å; L278-N280 VanDerWaalsContact C-N 3.3Å; L278-N280 PolarHBondContact O-N 2.94Å; N280-A291 WeakPolarHBondContact O-CA 3.45Å; N280-A291 VanDerWaalsContact O-CB 3.29Å; N280-A291 WeakPolarHBondContact O-CB 3.31Å; N280-A291 PolarHBondContact O-N 3.17Å |
| 281 | C | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.8 | 166.7 | -70.6 | 0 | 0 | 0 | 0 | 109.5 | L236 I259 A277 L278 R279 K289 | L236-C281 HydrophobicContact CB-CB 3.95Å; L236-C281 VanDerWaalsContact CB-O 3.26Å; L236-C281 WeakPolarHBondContact CB-O 3.5Å; L236-C281 HydrophobicContact CD2-CB 4Å; L236-C281 PolarHBondContact N-O 3.48Å; I259-C281 HydrophobicContact CD1-CB 4.43Å; A277-C281 PolarHBondContact O-N 3.07Å; L278-C281 PolarHBondContact O-N 3.13Å; R279-C281 VanDerWaalsContact C-N 3.32Å; C281-K289 CarbonylContact C-O 3.53Å; C281-K289 WeakPolarHBondContact CA-O 3.5Å |
| 282 | L | 92.5 | Very high | 92.3 | Very high | 33 Ų | 33 | 21.1 Ų | 21.1 | 17% | 0.173 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 161.7 | 174.2 | -56 | -169.5 | 0 | 0 | 0 | 111.8 | V194 C213 A234 A288 K289 A291 | V194-L282 HydrophobicContact CG2-CB 4.37Å; V194-L282 HydrophobicContact CG2-CD1 3.98Å; V194-L282 HydrophobicContact CG2-CG 4.29Å; C213-L282 HydrophobicContact CB-CB 3.85Å; C213-L282 HydrophobicContact CB-CD1 4.02Å; A234-L282 HydrophobicContact CB-CD2 4.34Å; A234-L282 CarbonylContact O-C 3.5Å; A234-L282 VanDerWaalsContact O-CA 3.24Å; A234-L282 WeakPolarHBondContact O-CA 3.22Å; L282-A288 CarbonylContact O-C 3.53Å; L282-A288 VanDerWaalsContact O-CA 3.31Å; L282-A288 WeakPolarHBondContact O-CA 2.88Å; L282-K289 PolarHBondContact N-O 2.81Å; L282-K289 PolarHBondContact O-N 3.16Å; L282-A291 HydrophobicContact CD1-CB 4.24Å; L282-A291 HydrophobicContact CG-CB 3.96Å |
| 283 | L | 89.8 | Confident | 91.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.9 | -178.5 | -176.6 | 66.3 | 0 | 0 | 0 | 110.8 | D214 A234 L236 Y239 F255 V287 | D214-L283 CarbonylContact C-O 3.5Å; A234-L283 PolarHBondContact O-N 3.36Å; L236-L283 HydrophobicContact CD1-CD2 4.47Å; Y239-L283 HydrophobicContact CD1-CD2 3.63Å; Y239-L283 HydrophobicContact CD2-CD2 3.84Å; Y239-L283 HydrophobicContact CE1-CD2 4.01Å; Y239-L283 HydrophobicContact CE2-CD2 4.24Å; Y239-L283 HydrophobicContact CG-CD2 3.55Å; F255-L283 HydrophobicContact CD1-CD1 4.42Å; F255-L283 HydrophobicContact CE1-CD1 3.48Å; F255-L283 VanDerWaalsContact CE1-CD1 3.48Å; F255-L283 HydrophobicContact CZ-CD1 3.74Å; F255-L283 HydrophobicContact CZ-CD2 4.31Å; L283-V287 WeakPolarHBondContact CA-O 3.4Å |
| 284 | K | 85 | Confident | 91.3 | Very high | 52 Ų | 52 | 21.2 Ų | 21.2 | 23% | 0.226 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.5 | 176.7 | -172.8 | 172.4 | -175.8 | 158.1 | 0 | 110.3 | E211 L212 C213 G286 V287 K289 | E211-K284 WeakPolarHBondContact OE2-CD 3.47Å; E211-K284 WeakPolarHBondContact OE2-CE 3.33Å; E211-K284 IonicContact OE2-NZ 3.83Å; E211-K284 PolarHBondContact OE2-NZ 3Å; L212-K284 WeakPolarHBondContact O-CD 3.23Å; L212-K284 WeakPolarHBondContact O-CE 3.46Å; L212-K284 PolarHBondContact O-NZ 2.8Å; C213-K284 HydrophobicContact CB-CB 4.02Å; K284-G286 PolarHBondContact O-N 2.7Å; K284-V287 PolarHBondContact N-O 2.95Å; K284-V287 PolarHBondContact O-N 3.15Å; K284-K289 HydrophobicContact CB-CD 4.34Å |
| 285 | A | 81.6 | Confident | 90.9 | Very high | 77 Ų | 77 | 22.8 Ų | 22.8 | 64% | 0.636 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 26.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D214 | D214-A285 PolarHBondContact O-N 3.27Š|
| 286 | G | 83.4 | Confident | 90.9 | Very high | 16 Ų | 16 | 21.8 Ų | 21.8 | 17% | 0.165 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -1.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K284 | K284-G286 PolarHBondContact O-N 2.7Š|
| 287 | V | 89.9 | Confident | 90.7 | Very high | 51 Ų | 51 | 23.7 Ų | 23.7 | 31% | 0.309 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.2 | 170.6 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | N192 L283 K284 | N192-V287 VanDerWaalsContact ND2-CG1 3.31Å; N192-V287 WeakPolarHBondContact ND2-CG1 3.47Å; L283-V287 WeakPolarHBondContact CA-O 3.4Å; K284-V287 PolarHBondContact N-O 2.95Å; K284-V287 PolarHBondContact O-N 3.15Å |
| 288 | A | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 143.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | N192 L236 F255 H258 L282 | N192-A288 PolarHBondContact ND2-O 2.82Å; L236-A288 HydrophobicContact CD2-CB 4.11Å; F255-A288 HydrophobicContact CB-CB 4.46Å; F255-A288 HydrophobicContact CD1-CB 3.95Å; F255-A288 HydrophobicContact CG-CB 4.48Å; H258-A288 HydrophobicContact CB-CB 3.87Å; H258-A288 PolarHBondContact ND1-N 3.21Å; L282-A288 CarbonylContact O-C 3.53Å; L282-A288 VanDerWaalsContact O-CA 3.31Å; L282-A288 WeakPolarHBondContact O-CA 2.88Å |
| 289 | K | 95.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.5 | -174.5 | -75.4 | 170.6 | 165.4 | -83.3 | 0 | 110.9 | P191 N192 V193 V194 E211 C281 L282 K284 | P191-K289 WeakPolarHBondContact O-CE 3.11Å; P191-K289 WeakPolarHBondContact O-CG 3.23Å; P191-K289 PolarHBondContact O-NZ 3.44Å; N192-K289 WeakPolarHBondContact O-CA 3.5Å; V193-K289 PolarHBondContact O-NZ 2.87Å; V194-K289 HydrophobicContact CG2-CB 3.82Å; E211-K289 WeakPolarHBondContact OE1-CD 3.32Å; E211-K289 VanDerWaalsContact OE1-CE 3.24Å; E211-K289 WeakPolarHBondContact OE1-CE 3.49Å; E211-K289 IonicContact OE1-NZ 3.6Å; E211-K289 PolarHBondContact OE1-NZ 2.73Å; E211-K289 IonicContact OE2-NZ 3.88Å; C281-K289 CarbonylContact C-O 3.53Å; C281-K289 WeakPolarHBondContact CA-O 3.5Å; L282-K289 PolarHBondContact N-O 2.81Å; L282-K289 PolarHBondContact O-N 3.16Å; K284-K289 HydrophobicContact CB-CD 4.34Å |
| 290 | V | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.8 | 174 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | N192 V194 I259 M263 I266 H273 L276 F293 | N192-V290 PolarHBondContact O-N 3.45Å; V194-V290 PolarHBondContact N-O 2.92Å; I259-V290 HydrophobicContact CG2-CG2 4.26Å; M263-V290 HydrophobicContact CG-CG2 4.38Å; M263-V290 HydrophobicContact SD-CG1 4Å; M263-V290 HydrophobicContact SD-CG2 4.29Å; I266-V290 HydrophobicContact CD1-CB 4.14Å; I266-V290 HydrophobicContact CD1-CG1 3.7Å; H273-V290 WeakPolarHBondContact CD2-CG1 3.45Å; H273-V290 WeakPolarHBondContact NE2-CG1 3.21Å; L276-V290 HydrophobicContact CD1-CG1 4.4Å; V290-F293 HydrophobicContact CG1-CZ 4.39Å |
| 291 | A | 91.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | trans | -146 | 172.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V194 H273 N280 L282 | V194-A291 HydrophobicContact CB-CB 4.14Å; V194-A291 HydrophobicContact CG2-CB 3.54Å; H273-A291 PolarHBondContact CE1-O 2.9Å; H273-A291 PolarHBondContact NE2-O 2.97Å; N280-A291 WeakPolarHBondContact O-CA 3.45Å; N280-A291 VanDerWaalsContact O-CB 3.29Å; N280-A291 WeakPolarHBondContact O-CB 3.31Å; N280-A291 PolarHBondContact O-N 3.17Å; L282-A291 HydrophobicContact CD1-CB 4.24Å; L282-A291 HydrophobicContact CG-CB 3.96Å | ||
| 292 | D | 87 | Confident | 90.7 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | trans | 58.9 | 96.8 | -175.5 | -150 | -20.6 | 0 | 0 | 0 | 114.7 | K163 H273 G294 | K163-D292 IonicContact NZ-OD1 2.74Å; K163-D292 PolarHBondContact NZ-OD1 3.13Å; K163-D292 IonicContact NZ-OD2 3.34Å; H273-D292 PolarHBondContact CE1-O 2.67Å; D292-G294 PolarHBondContact OD1-N 2.9Å | ||
| 293 | F | 89.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -105.8 | 14.1 | -174.1 | -69.2 | -86.5 | 0 | 0 | 0 | 112.9 | E181 M185 L188 V193 I266 L271 V290 A296 | E181-F293 HydrophobicContact CG-CB 4.12Å; E181-F293 PolarHBondContact OE1-N 2.65Å; M185-F293 HydrophobicContact CE-CD2 4Å; M185-F293 HydrophobicContact CE-CE2 4.26Å; M185-F293 HydrophobicContact CG-CB 3.88Å; M185-F293 HydrophobicContact CG-CD2 3.57Å; M185-F293 HydrophobicContact CG-CE2 4.44Å; M185-F293 HydrophobicContact CG-CG 3.97Å; M185-F293 HydrophobicContact SD-CD2 3.89Å; L188-F293 HydrophobicContact CD1-CD1 3.98Å; L188-F293 HydrophobicContact CD1-CD2 4.43Å; L188-F293 HydrophobicContact CD1-CE1 3.52Å; L188-F293 HydrophobicContact CD1-CE2 4.02Å; L188-F293 HydrophobicContact CD1-CG 4.42Å; L188-F293 HydrophobicContact CD1-CZ 3.54Å; V193-F293 HydrophobicContact CG1-CE2 3.91Å; V193-F293 HydrophobicContact CG1-CZ 3.72Å; I266-F293 HydrophobicContact CD1-CE1 3.78Å; I266-F293 HydrophobicContact CD1-CZ 3.85Å; I266-F293 HydrophobicContact CG1-CE1 4.17Å; I266-F293 HydrophobicContact CG1-CZ 4.44Å; L271-F293 HydrophobicContact CD2-CD1 3.99Å; L271-F293 HydrophobicContact CD2-CE1 4.15Å; V290-F293 HydrophobicContact CG1-CZ 4.39Å; F293-A296 HydrophobicContact CB-CB 4.35Å; F293-A296 HydrophobicContact CD1-CB 4.21Å; F293-A296 WeakPolarHBondContact O-CB 3Å; F293-A296 PolarHBondContact O-N 3.28Å | ||
| 294 | G | 84.8 | Confident | 90.8 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -57.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | E181 K184 D292 A296 | E181-G294 PolarHBondContact OE1-N 3.48Å; K184-G294 PolarHBondContact NZ-O 3.16Å; D292-G294 PolarHBondContact OD1-N 2.9Å; G294-A296 PolarHBondContact O-N 3.17Å |
| 295 | Q | 87.6 | Confident | 90.9 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.3 | -177.6 | -57.6 | -55.1 | 72.6 | 0 | 0 | 114.5 | R274 D275 V311 | R274-Q295 WeakPolarHBondContact CD-O 3.31Å; R274-Q295 PolarHBondContact NH1-O 3.33Å; D275-Q295 HydrophobicContact CB-CB 4.39Å; D275-Q295 HydrophobicContact CB-CG 4.41Å; Q295-V311 PolarHBondContact NE2-O 2.98Å |
| 296 | A | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -68.8 | 146.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K184 L271 I272 F293 G294 | K184-A296 HydrophobicContact CD-CB 4.18Å; K184-A296 WeakPolarHBondContact CE-O 3.43Å; K184-A296 PolarHBondContact NZ-O 3.49Å; L271-A296 HydrophobicContact CD1-CB 4.09Å; L271-A296 HydrophobicContact CG-CB 4.37Å; I272-A296 CarbonylContact O-C 3.46Å; I272-A296 WeakPolarHBondContact O-CA 3.39Å; I272-A296 VanDerWaalsContact O-CB 3.28Å; I272-A296 WeakPolarHBondContact O-CB 3.01Å; F293-A296 HydrophobicContact CB-CB 4.35Å; F293-A296 HydrophobicContact CD1-CB 4.21Å; F293-A296 WeakPolarHBondContact O-CB 3Å; F293-A296 PolarHBondContact O-N 3.28Å; G294-A296 PolarHBondContact O-N 3.17Å | ||
| 297 | K | 93.9 | Very high | 89.7 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.3 | -177.1 | -53 | -74.6 | -174.9 | -179.5 | 0 | 110.4 | I272 Y302 E310 | I272-K297 PolarHBondContact N-O 3.05Å; I272-K297 PolarHBondContact O-N 2.95Å; K297-Y302 HydrophobicContact CB-CD1 4.16Å; K297-Y302 HydrophobicContact CB-CD2 3.83Å; K297-Y302 HydrophobicContact CB-CE2 4.35Å; K297-Y302 HydrophobicContact CB-CG 3.73Å; K297-Y302 HydrophobicContact CD-CD2 4.36Å; K297-Y302 HydrophobicContact CD-CE1 4.15Å; K297-Y302 HydrophobicContact CD-CE2 3.98Å; K297-Y302 HydrophobicContact CG-CD1 3.74Å; K297-Y302 HydrophobicContact CG-CD2 3.96Å; K297-Y302 HydrophobicContact CG-CE1 3.82Å; K297-Y302 HydrophobicContact CG-CE2 4.05Å; K297-Y302 HydrophobicContact CG-CG 3.81Å; K297-E310 WeakPolarHBondContact CE-OE1 3.49Å; K297-E310 IonicContact NZ-OE1 3.06Å; K297-E310 PolarHBondContact NZ-OE1 3.12Å; K297-E310 IonicContact NZ-OE2 2.99Å |
| 298 | Q | 92.3 | Very high | 88.7 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 55% | 0.547 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.8 | -178.8 | -168.3 | 68.7 | 39.3 | 0 | 0 | 110.9 | K269 Q270 | K269-Q298 PolarHBondContact O-NE2 3.3Å; Q270-Q298 PolarHBondContact O-NE2 3.38Å |
| 299 | G | 93 | Very high | 87.3 | Confident | 21 Ų | 21 | 70 Ų | 70 | 22% | 0.216 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 120.8 | 164.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q270 I272 | Q270-G299 CarbonylContact C-O 3.56Å; Q270-G299 CarbonylContact O-C 3.57Å; Q270-G299 PolarHBondContact O-N 3.04Å; Q270-G299 VanDerWaalsContact O-O 3.12Å; I272-G299 WeakPolarHBondContact CG1-O 3.35Å |
| 300 | R | 94.2 | Very high | 86.2 | Confident | 186 Ų | 186 | 70.9 Ų | 70.9 | 70% | 0.702 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -75.6 | -26.4 | 173.2 | -63.1 | -176.3 | -177.2 | -173 | -1.7 | 113 | Q270 S328 | Q270-R300 HydrophobicContact CB-CG 4.39Å; Q270-R300 HydrophobicContact CG-CG 4.15Å; R300-S328 WeakPolarHBondContact O-CB 3.42Å |
| 301 | V | 95.4 | Very high | 85.2 | Confident | 94 Ų | 94 | 76.4 Ų | 76.4 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.8 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 108 | T326 F327 | V301-T326 HydrophobicContact CG1-CG2 3.4Å; V301-F327 CarbonylContact C-O 3.57Å; V301-F327 WeakPolarHBondContact CA-O 3.37Å |
| 302 | Y | 95.1 | Very high | 85 | Confident | 52 Ų | 52 | 78.1 Ų | 78.1 | 20% | 0.204 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 117.6 | 176.2 | 171.2 | -100.4 | 0 | 0 | 0 | 110.7 | K297 M304 T326 F327 | K297-Y302 HydrophobicContact CB-CD1 4.16Å; K297-Y302 HydrophobicContact CB-CD2 3.83Å; K297-Y302 HydrophobicContact CB-CE2 4.35Å; K297-Y302 HydrophobicContact CB-CG 3.73Å; K297-Y302 HydrophobicContact CD-CD2 4.36Å; K297-Y302 HydrophobicContact CD-CE1 4.15Å; K297-Y302 HydrophobicContact CD-CE2 3.98Å; K297-Y302 HydrophobicContact CG-CD1 3.74Å; K297-Y302 HydrophobicContact CG-CD2 3.96Å; K297-Y302 HydrophobicContact CG-CE1 3.82Å; K297-Y302 HydrophobicContact CG-CE2 4.05Å; K297-Y302 HydrophobicContact CG-CG 3.81Å; Y302-M304 HydrophobicContact CE1-CB 3.82Å; Y302-M304 HydrophobicContact CE1-CG 4.19Å; Y302-T326 CarbonylContact O-C 3.52Å; Y302-T326 WeakPolarHBondContact O-CA 3.36Å; Y302-F327 HydrophobicContact CD1-CD2 4.08Å; Y302-F327 PolarHBondContact N-O 2.84Å; Y302-F327 PolarHBondContact O-N 2.86Å |
| 303 | K | 94.1 | Very high | 85.1 | Confident | 155 Ų | 155 | 76.5 Ų | 76.5 | 67% | 0.674 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.7 | 175.7 | -169.2 | 163.6 | -171.6 | 168.4 | 0 | 110.3 | ||
| 304 | M | 90.5 | Very high | 85.2 | Confident | 7 Ų | 7 | 78.6 Ų | 78.6 | 3% | 0.034 | 38% | 0.384 | C | S | . | . | trans | -72 | 147.9 | 175.7 | -161.6 | 176.5 | 80.9 | 0 | 0 | 109.8 | R274 Y302 T308 E310 L312 R325 F327 | R274-M304 PolarHBondContact NH2-SD 3.35Å; R274-M304 VanDerWaalsContact NH2-SD 3.42Å; Y302-M304 HydrophobicContact CE1-CB 3.82Å; Y302-M304 HydrophobicContact CE1-CG 4.19Å; M304-T308 HydrophobicContact CG-CG2 4.04Å; M304-T308 HydrophobicContact SD-CG2 4.21Å; M304-E310 HydrophobicContact SD-CB 4.04Å; M304-L312 HydrophobicContact CE-CD1 4.09Å; M304-L312 HydrophobicContact SD-CD2 4.3Å; M304-R325 HydrophobicContact CB-CB 4.24Å; M304-R325 PolarHBondContact N-O 2.82Å; M304-F327 HydrophobicContact CB-CE2 4.43Å; M304-F327 HydrophobicContact SD-CE2 4.49Å | ||
| 305 | K | 85.8 | Confident | 85.6 | Confident | 153 Ų | 153 | 79.8 Ų | 79.8 | 67% | 0.665 | 39% | 0.388 | S | S | * | . | trans | -72.4 | 159.7 | 177.8 | -56.1 | 177.7 | 177 | 178.7 | 0 | 110.2 | D307 T308 R325 | K305-D307 PolarHBondContact O-N 2.83Å; K305-T308 WeakPolarHBondContact CB-OG1 3.32Å; K305-R325 PolarHBondContact O-NH1 2.74Å | ||
| 306 | K | 72.8 | Confident | 86 | Confident | 176 Ų | 176 | 78.9 Ų | 78.9 | 77% | 0.765 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30 | 177.5 | -71.2 | -166.9 | 173.4 | -170.1 | 0 | 111.9 | R325 | K306-R325 VanDerWaalsContact C-NH1 3.34Å; K306-R325 PolarHBondContact O-NH1 3.12Å |
| 307 | D | 67.9 | Low | 86.1 | Confident | 145 Ų | 145 | 79.4 Ų | 79.4 | 78% | 0.775 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 20.4 | -170.6 | -24.9 | -73.4 | 0 | 0 | 0 | 111.8 | K305 | K305-D307 PolarHBondContact O-N 2.83Š|
| 308 | T | 67.6 | Low | 86.2 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 25% | 0.245 | 38% | 0.377 | C | S | . | . | trans | -90.8 | 121.3 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | M304 K305 E310 | M304-T308 HydrophobicContact CG-CG2 4.04Å; M304-T308 HydrophobicContact SD-CG2 4.21Å; K305-T308 WeakPolarHBondContact CB-OG1 3.32Å; T308-E310 HydrophobicContact CG2-CB 3.87Å; T308-E310 HydrophobicContact CG2-CG 3.64Å; T308-E310 PolarHBondContact O-N 3.25Å | ||
| 309 | E | 65.5 | Low | 86.2 | Confident | 157 Ų | 157 | 72.7 Ų | 72.7 | 73% | 0.734 | 36% | 0.356 | S | S | * | . | trans | -83.6 | 22.7 | 178.2 | -56.9 | -178.5 | 148.8 | 0 | 0 | 113.3 | V311 | E309-V311 PolarHBondContact O-N 3.47Š| ||
| 310 | E | 72.9 | Confident | 86.3 | Confident | 36 Ų | 36 | 73 Ų | 73 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | trans | -62.2 | 120.5 | 177.2 | -88.8 | -177.3 | -148.4 | 0 | 0 | 110.3 | R274 K297 M304 T308 L312 | R274-E310 IonicContact CZ-OE2 3.2Å; R274-E310 IonicContact NH1-OE2 2.63Å; R274-E310 PolarHBondContact NH1-OE2 2.87Å; R274-E310 IonicContact NH2-OE2 3.76Å; R274-E310 PolarHBondContact NH2-OE2 3.07Å; K297-E310 WeakPolarHBondContact CE-OE1 3.49Å; K297-E310 IonicContact NZ-OE1 3.06Å; K297-E310 PolarHBondContact NZ-OE1 3.12Å; K297-E310 IonicContact NZ-OE2 2.99Å; M304-E310 HydrophobicContact SD-CB 4.04Å; T308-E310 HydrophobicContact CG2-CB 3.87Å; T308-E310 HydrophobicContact CG2-CG 3.64Å; T308-E310 PolarHBondContact O-N 3.25Å; E310-L312 PolarHBondContact O-N 3.15Å | ||
| 311 | V | 74.9 | Confident | 86.3 | Confident | 115 Ų | 115 | 64.2 Ų | 64.2 | 70% | 0.697 | 32% | 0.32 | S | S | * | . | trans | -65.7 | 123.3 | 172.6 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | Q295 E309 | Q295-V311 PolarHBondContact NE2-O 2.98Å; E309-V311 PolarHBondContact O-N 3.47Å | ||
| 312 | L | 86.4 | Confident | 86.1 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | trans | -107.7 | 139.6 | -175 | -67.6 | -172.9 | 0 | 0 | 0 | 112.6 | M304 E310 V314 I317 F327 | M304-L312 HydrophobicContact CE-CD1 4.09Å; M304-L312 HydrophobicContact SD-CD2 4.3Å; E310-L312 PolarHBondContact O-N 3.15Å; L312-V314 PolarHBondContact O-N 3.08Å; L312-I317 HydrophobicContact CB-CD1 3.75Å; L312-I317 HydrophobicContact CD1-CD1 4.1Å; L312-I317 HydrophobicContact CD2-CD1 4.37Å; L312-I317 HydrophobicContact CG-CD1 4.3Å; L312-F327 HydrophobicContact CD1-CZ 4.21Å; L312-F327 HydrophobicContact CD2-CZ 3.97Å | ||
| 313 | P | 90 | Very high | 85.8 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 13% | 0.13 | 33% | 0.326 | C | S | . | . | trans | -76.4 | 64.9 | 174.8 | 34.9 | -41 | 0 | 0 | 0 | 111.7 | D275 M315 W316 I317 | D275-P313 HydrophobicContact CB-CG 4.3Å; D275-P313 WeakPolarHBondContact OD1-CB 3.35Å; D275-P313 VanDerWaalsContact OD1-CG 3.23Å; D275-P313 WeakPolarHBondContact OD1-CG 3.4Å; P313-M315 VanDerWaalsContact C-N 3.27Å; P313-M315 PolarHBondContact O-N 3.3Å; P313-W316 HydrophobicContact CB-CE3 4.08Å; P313-W316 PolarHBondContact O-N 2.95Å; P313-I317 HydrophobicContact CG-CD1 4.14Å; P313-I317 HydrophobicContact CG-CG1 4.22Å | ||
| 314 | V | 90.7 | Very high | 85.6 | Confident | 44 Ų | 44 | 62 Ų | 62 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -43.5 | -44.8 | -166.8 | -177.5 | 0 | 0 | 0 | 0 | 114.5 | L312 W316 I317 L322 A364 | L312-V314 PolarHBondContact O-N 3.08Å; V314-W316 PolarHBondContact O-N 3.47Å; V314-W316 VanDerWaalsContact O-N 3.12Å; V314-I317 PolarHBondContact O-N 3.38Å; V314-L322 HydrophobicContact CG1-CD1 3.93Å; V314-L322 HydrophobicContact CG1-CD2 4.3Å; V314-A364 HydrophobicContact CG1-CB 4.24Å; V314-A364 HydrophobicContact CG2-CB 4.48Å |
| 315 | M | 92.7 | Very high | 85.7 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 16% | 0.158 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -64.6 | -13.4 | -179.5 | -60.6 | -174 | -65.9 | 0 | 0 | 115 | P313 P350 Y351 Y355 F363 L367 | P313-M315 VanDerWaalsContact C-N 3.27Å; P313-M315 PolarHBondContact O-N 3.3Å; M315-P350 HydrophobicContact CB-CB 4.3Å; M315-Y351 HydrophobicContact CB-CD2 4.05Å; M315-Y351 HydrophobicContact CB-CE2 3.99Å; M315-Y351 HydrophobicContact CG-CD2 4.06Å; M315-Y351 HydrophobicContact CG-CE2 4.42Å; M315-Y351 WeakPolarHBondContact O-CE2 3.4Å; M315-Y351 HydrophobicContact SD-CD2 4.27Å; M315-Y355 HydrophobicContact SD-CE2 4.41Å; M315-F363 HydrophobicContact CG-CE1 4.44Å; M315-F363 HydrophobicContact SD-CE1 3.95Å; M315-L367 HydrophobicContact CG-CD2 3.78Å |
| 316 | W | 96.5 | Very high | 86.2 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 9% | 0.087 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -104.7 | -1.5 | 175.6 | -68.5 | -100.5 | 0 | 0 | 0 | 113.2 | L276 A277 P313 V314 A335 I338 E342 P350 | L276-W316 VanDerWaalsContact O-CD1 3.24Å; A277-W316 HydrophobicContact CB-CD2 4.12Å; A277-W316 HydrophobicContact CB-CG 4.2Å; A277-W316 HydrophobicContact CB-CZ2 4.13Å; A277-W316 VanDerWaalsContact CB-NE1 3.32Å; P313-W316 HydrophobicContact CB-CE3 4.08Å; P313-W316 PolarHBondContact O-N 2.95Å; V314-W316 PolarHBondContact O-N 3.47Å; V314-W316 VanDerWaalsContact O-N 3.12Å; W316-A335 HydrophobicContact CB-CB 4.2Å; W316-A335 WeakPolarHBondContact O-CA 3.38Å; W316-A335 VanDerWaalsContact O-CB 3.28Å; W316-A335 WeakPolarHBondContact O-CB 3.43Å; W316-I338 VanDerWaalsContact CD1-CG2 3.47Å; W316-I338 HydrophobicContact CD2-CG2 4.36Å; W316-I338 HydrophobicContact CG-CB 4.37Å; W316-I338 HydrophobicContact CG-CG2 4.03Å; W316-E342 PolarHBondContact NE1-OE2 3.44Å; W316-P350 HydrophobicContact CH2-CG 4.25Å; W316-P350 HydrophobicContact CZ2-CG 3.8Å |
| 317 | I | 95.7 | Very high | 87.3 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -103.9 | 136.6 | -176.7 | -55.5 | 175.6 | 0 | 0 | 0 | 109.6 | L312 P313 V314 T321 L322 F327 | L312-I317 HydrophobicContact CB-CD1 3.75Å; L312-I317 HydrophobicContact CD1-CD1 4.1Å; L312-I317 HydrophobicContact CD2-CD1 4.37Å; L312-I317 HydrophobicContact CG-CD1 4.3Å; P313-I317 HydrophobicContact CG-CD1 4.14Å; P313-I317 HydrophobicContact CG-CG1 4.22Å; V314-I317 PolarHBondContact O-N 3.38Å; I317-T321 HydrophobicContact CG2-CG2 3.67Å; I317-L322 HydrophobicContact CB-CD2 3.96Å; I317-L322 HydrophobicContact CB-CG 4.1Å; I317-L322 HydrophobicContact CD1-CD2 4.08Å; I317-L322 HydrophobicContact CG2-CD2 3.77Å; I317-L322 HydrophobicContact CG2-CG 3.73Å; I317-F327 HydrophobicContact CD1-CE1 4.03Å; I317-F327 HydrophobicContact CD1-CZ 4.22Å; I317-F327 HydrophobicContact CG1-CE1 4.4Å; I317-F327 HydrophobicContact CG2-CE1 4.29Å |
| 318 | P | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -73.6 | 154.6 | 176.5 | 33.2 | -37.6 | 0 | 0 | 0 | 111.6 | D320 T321 L322 W334 | P318-D320 VanDerWaalsContact C-N 3.32Å; P318-D320 VanDerWaalsContact CB-OD1 3.3Å; P318-D320 WeakPolarHBondContact CB-OD1 3.35Å; P318-D320 PolarHBondContact O-N 3.34Å; P318-T321 WeakPolarHBondContact CG-OG1 3.41Å; P318-T321 PolarHBondContact O-N 3.03Å; P318-L322 PolarHBondContact O-N 3.18Å; P318-L322 VanDerWaalsContact O-N 3.16Å; P318-W334 HydrophobicContact CB-CB 3.93Å; P318-W334 HydrophobicContact CB-CD2 3.44Å; P318-W334 VanDerWaalsContact CB-CD2 3.44Å; P318-W334 HydrophobicContact CB-CE3 3.51Å; P318-W334 HydrophobicContact CB-CG 3.62Å; P318-W334 HydrophobicContact CB-CZ3 4.15Å; P318-W334 HydrophobicContact CG-CB 4.09Å; P318-W334 HydrophobicContact CG-CG 4.22Å | ||
| 319 | P | 93.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | -175.3 | 23.2 | -33.6 | 0 | 0 | 0 | 113.4 | T321 L322 E323 W334 V371 A372 | P319-T321 VanDerWaalsContact C-N 3.26Å; P319-T321 PolarHBondContact O-N 3.11Å; P319-L322 PolarHBondContact O-N 2.95Å; P319-E323 WeakPolarHBondContact O-CB 3.45Å; P319-E323 PolarHBondContact O-N 3.34Å; P319-W334 HydrophobicContact CG-CH2 4.48Å; P319-V371 HydrophobicContact CG-CG1 4.23Å; P319-A372 HydrophobicContact CB-CB 4.01Å |
| 320 | D | 94 | Very high | 91.8 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.15 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -36.5 | 175.2 | 60.8 | -92.3 | 0 | 0 | 0 | 112.9 | P318 T324 P399 R402 | P318-D320 VanDerWaalsContact C-N 3.32Å; P318-D320 VanDerWaalsContact CB-OD1 3.3Å; P318-D320 WeakPolarHBondContact CB-OD1 3.35Å; P318-D320 PolarHBondContact O-N 3.34Å; D320-T324 VanDerWaalsContact O-CB 3.28Å; D320-T324 WeakPolarHBondContact O-CB 3.27Å; D320-T324 VanDerWaalsContact O-CG2 3.27Å; D320-T324 WeakPolarHBondContact O-CG2 3.45Å; D320-T324 PolarHBondContact O-N 3.26Å; D320-T324 PolarHBondContact O-OG1 3.44Å; D320-P399 HydrophobicContact CB-CG 4.38Å; D320-R402 IonicContact OD1-CZ 2.86Å; D320-R402 VanDerWaalsContact OD1-CZ 3.28Å; D320-R402 IonicContact OD1-NH1 2.88Å; D320-R402 PolarHBondContact OD1-NH1 3.47Å; D320-R402 IonicContact OD1-NH2 3.15Å; D320-R402 PolarHBondContact OD1-NH2 3.01Å; D320-R402 IonicContact OD2-NH1 3.28Å |
| 321 | T | 95 | Very high | 93 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -83.1 | -28.5 | -176 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | I317 P318 P319 R325 T326 F327 | I317-T321 HydrophobicContact CG2-CG2 3.67Å; P318-T321 WeakPolarHBondContact CG-OG1 3.41Å; P318-T321 PolarHBondContact O-N 3.03Å; P319-T321 VanDerWaalsContact C-N 3.26Å; P319-T321 PolarHBondContact O-N 3.11Å; T321-R325 WeakPolarHBondContact O-CA 3.44Å; T321-R325 PolarHBondContact O-N 3.09Å; T321-T326 PolarHBondContact OG1-O 3.4Å; T321-F327 HydrophobicContact CG2-CB 4.35Å; T321-F327 HydrophobicContact CG2-CD1 3.5Å; T321-F327 VanDerWaalsContact CG2-CD1 3.5Å; T321-F327 HydrophobicContact CG2-CD2 4.04Å; T321-F327 HydrophobicContact CG2-CE1 3.7Å; T321-F327 HydrophobicContact CG2-CE2 4.2Å; T321-F327 HydrophobicContact CG2-CG 3.69Å; T321-F327 HydrophobicContact CG2-CZ 4.04Å |
| 322 | L | 90.5 | Very high | 94.1 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 17% | 0.173 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 168.9 | -67.5 | 170.7 | 0 | 0 | 0 | 111.1 | V314 I317 P318 P319 M368 | V314-L322 HydrophobicContact CG1-CD1 3.93Å; V314-L322 HydrophobicContact CG1-CD2 4.3Å; I317-L322 HydrophobicContact CB-CD2 3.96Å; I317-L322 HydrophobicContact CB-CG 4.1Å; I317-L322 HydrophobicContact CD1-CD2 4.08Å; I317-L322 HydrophobicContact CG2-CD2 3.77Å; I317-L322 HydrophobicContact CG2-CG 3.73Å; P318-L322 PolarHBondContact O-N 3.18Å; P318-L322 VanDerWaalsContact O-N 3.16Å; P319-L322 PolarHBondContact O-N 2.95Å; L322-M368 HydrophobicContact CB-CE 3.65Å; L322-M368 HydrophobicContact CB-SD 3.7Å; L322-M368 HydrophobicContact CD1-CB 4.4Å; L322-M368 HydrophobicContact CD1-CG 4.01Å; L322-M368 HydrophobicContact CD1-SD 3.8Å; L322-M368 HydrophobicContact CG-SD 4.37Å |
| 323 | E | 88.9 | Confident | 94.7 | Very high | 156 Ų | 156 | 32.8 Ų | 32.8 | 73% | 0.729 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -67.5 | -55.9 | 179.4 | -178 | -178.3 | -174.2 | 0 | 0 | 112.4 | P319 R325 M368 | P319-E323 WeakPolarHBondContact O-CB 3.45Å; P319-E323 PolarHBondContact O-N 3.34Å; E323-R325 VanDerWaalsContact C-N 3.29Å; E323-R325 PolarHBondContact O-N 2.84Å; E323-M368 HydrophobicContact CB-CE 4.08Å |
| 324 | T | 91.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 31.8 Ų | 31.8 | 41% | 0.405 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -79.6 | -11.2 | -175.4 | 66.2 | 0 | 0 | 0 | 0 | 113.8 | D320 T326 | D320-T324 VanDerWaalsContact O-CB 3.28Å; D320-T324 WeakPolarHBondContact O-CB 3.27Å; D320-T324 VanDerWaalsContact O-CG2 3.27Å; D320-T324 WeakPolarHBondContact O-CG2 3.45Å; D320-T324 PolarHBondContact O-N 3.26Å; D320-T324 PolarHBondContact O-OG1 3.44Å; T324-T326 PolarHBondContact O-N 3.47Å; T324-T326 VanDerWaalsContact O-N 3.15Å; T324-T326 PolarHBondContact O-OG1 3.35Å; T324-T326 WeakPolarHBondContact OG1-CB 3.46Å; T324-T326 PolarHBondContact OG1-N 3.21Å |
| 325 | R | 91.6 | Very high | 95.5 | Very high | 85 Ų | 85 | 29.9 Ų | 29.9 | 32% | 0.321 | 15% | 0.149 | S | C | . | . | trans | 51.6 | 28 | -170 | -66 | -170.8 | 173.8 | -156.5 | 4.3 | 114.1 | M304 K305 K306 T321 E323 | M304-R325 HydrophobicContact CB-CB 4.24Å; M304-R325 PolarHBondContact N-O 2.82Å; K305-R325 PolarHBondContact O-NH1 2.74Å; K306-R325 VanDerWaalsContact C-NH1 3.34Å; K306-R325 PolarHBondContact O-NH1 3.12Å; T321-R325 WeakPolarHBondContact O-CA 3.44Å; T321-R325 PolarHBondContact O-N 3.09Å; E323-R325 VanDerWaalsContact C-N 3.29Å; E323-R325 PolarHBondContact O-N 2.84Å | ||
| 326 | T | 95.7 | Very high | 95.8 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 101.2 | -171.1 | -57.4 | 0 | 0 | 0 | 0 | 111 | V301 Y302 T321 T324 | V301-T326 HydrophobicContact CG1-CG2 3.4Å; Y302-T326 CarbonylContact O-C 3.52Å; Y302-T326 WeakPolarHBondContact O-CA 3.36Å; T321-T326 PolarHBondContact OG1-O 3.4Å; T324-T326 PolarHBondContact O-N 3.47Å; T324-T326 VanDerWaalsContact O-N 3.15Å; T324-T326 PolarHBondContact O-OG1 3.35Å; T324-T326 WeakPolarHBondContact OG1-CB 3.46Å; T324-T326 PolarHBondContact OG1-N 3.21Å |
| 327 | F | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 153.3 | -178.6 | -63.4 | -99.8 | 0 | 0 | 0 | 111.7 | I272 R274 V301 Y302 M304 L312 I317 T321 | I272-F327 HydrophobicContact CG2-CB 4.16Å; R274-F327 HydrophobicContact CB-CD1 4.14Å; R274-F327 HydrophobicContact CB-CE1 4.28Å; R274-F327 HydrophobicContact CG-CB 4.1Å; R274-F327 HydrophobicContact CG-CD1 3.63Å; R274-F327 HydrophobicContact CG-CE1 4.2Å; R274-F327 HydrophobicContact CG-CG 3.92Å; V301-F327 CarbonylContact C-O 3.57Å; V301-F327 WeakPolarHBondContact CA-O 3.37Å; Y302-F327 HydrophobicContact CD1-CD2 4.08Å; Y302-F327 PolarHBondContact N-O 2.84Å; Y302-F327 PolarHBondContact O-N 2.86Å; M304-F327 HydrophobicContact CB-CE2 4.43Å; M304-F327 HydrophobicContact SD-CE2 4.49Å; L312-F327 HydrophobicContact CD1-CZ 4.21Å; L312-F327 HydrophobicContact CD2-CZ 3.97Å; I317-F327 HydrophobicContact CD1-CE1 4.03Å; I317-F327 HydrophobicContact CD1-CZ 4.22Å; I317-F327 HydrophobicContact CG1-CE1 4.4Å; I317-F327 HydrophobicContact CG2-CE1 4.29Å; T321-F327 HydrophobicContact CG2-CB 4.35Å; T321-F327 HydrophobicContact CG2-CD1 3.5Å; T321-F327 VanDerWaalsContact CG2-CD1 3.5Å; T321-F327 HydrophobicContact CG2-CD2 4.04Å; T321-F327 HydrophobicContact CG2-CE1 3.7Å; T321-F327 HydrophobicContact CG2-CE2 4.2Å; T321-F327 HydrophobicContact CG2-CG 3.69Å; T321-F327 HydrophobicContact CG2-CZ 4.04Å |
| 328 | S | 98 | Very high | 96 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 16% | 0.161 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | -176.3 | 176.9 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | R300 K330 S331 D332 | R300-S328 WeakPolarHBondContact O-CB 3.42Å; S328-K330 PolarHBondContact O-N 3.02Å; S328-K330 VanDerWaalsContact O-N 3.11Å; S328-K330 WeakPolarHBondContact OG-CB 3.36Å; S328-K330 PolarHBondContact OG-N 2.96Å; S328-K330 VanDerWaalsContact OG-N 3.15Å; S328-S331 PolarHBondContact N-OG 2.98Å; S328-S331 PolarHBondContact O-N 3.4Å; S328-S331 PolarHBondContact O-OG 2.98Å; S328-D332 PolarHBondContact O-N 3.34Å |
| 329 | E | 98 | Very high | 96.1 | Very high | 59 Ų | 59 | 26.8 Ų | 26.8 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -49.6 | -35.9 | 166.5 | -171.8 | -170.2 | 165.3 | 0 | 0 | 111.3 | A267 S331 D332 V333 S404 F405 | A267-E329 HydrophobicContact CB-CG 3.93Å; E329-S331 VanDerWaalsContact C-N 3.31Å; E329-S331 PolarHBondContact O-N 3.39Å; E329-D332 PolarHBondContact O-N 2.95Å; E329-V333 HydrophobicContact CG-CG2 4.35Å; E329-V333 WeakPolarHBondContact O-CG2 3.34Å; E329-V333 PolarHBondContact O-N 2.88Å; E329-S404 VanDerWaalsContact OE1-CA 3.31Å; E329-S404 WeakPolarHBondContact OE1-CA 3.46Å; E329-S404 WeakPolarHBondContact OE1-CB 3.13Å; E329-F405 HydrophobicContact CG-CD2 3.64Å; E329-F405 HydrophobicContact CG-CE2 3.84Å; E329-F405 WeakPolarHBondContact OE1-CD2 3.18Å; E329-F405 PolarHBondContact OE1-N 2.87Å |
| 330 | K | 98.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 26 Ų | 26 | 20% | 0.204 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.3 | -14.9 | -177.6 | -54.4 | -58.9 | -162.7 | 164.6 | 0 | 114.5 | S328 P399 R402 P403 | S328-K330 PolarHBondContact O-N 3.02Å; S328-K330 VanDerWaalsContact O-N 3.11Å; S328-K330 WeakPolarHBondContact OG-CB 3.36Å; S328-K330 PolarHBondContact OG-N 2.96Å; S328-K330 VanDerWaalsContact OG-N 3.15Å; K330-P399 HydrophobicContact CB-CB 3.78Å; K330-P399 WeakPolarHBondContact CD-O 3.29Å; K330-P399 WeakPolarHBondContact CE-O 3.33Å; K330-P399 HydrophobicContact CG-CB 4.18Å; K330-P399 VanDerWaalsContact CG-O 3.24Å; K330-P399 WeakPolarHBondContact CG-O 3.48Å; K330-R402 HydrophobicContact CD-CB 4.41Å; K330-R402 PolarHBondContact NZ-O 3.17Å; K330-R402 WeakPolarHBondContact O-CD 3.29Å; K330-R402 PolarHBondContact O-NH1 2.88Å; K330-R402 VanDerWaalsContact O-NH1 3.13Å; K330-P403 PolarHBondContact NZ-O 2.8Å |
| 331 | S | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -84.3 | -38.1 | 166.4 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | S328 E329 V333 W334 A335 | S328-S331 PolarHBondContact N-OG 2.98Å; S328-S331 PolarHBondContact O-N 3.4Å; S328-S331 PolarHBondContact O-OG 2.98Å; E329-S331 VanDerWaalsContact C-N 3.31Å; E329-S331 PolarHBondContact O-N 3.39Å; S331-V333 VanDerWaalsContact C-N 3.32Å; S331-V333 PolarHBondContact O-N 3.38Å; S331-W334 PolarHBondContact O-N 3.07Å; S331-A335 PolarHBondContact O-N 2.9Å |
| 332 | D | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.1 | -32.1 | 174.3 | -70.3 | -14.3 | 0 | 0 | 0 | 112.1 | M263 I272 H273 R274 S328 E329 A335 Y336 F405 | M263-D332 HydrophobicContact CE-CB 3.8Å; I272-D332 WeakPolarHBondContact CG2-OD2 3.49Å; H273-D332 PolarHBondContact N-OD1 2.83Å; H273-D332 PolarHBondContact N-OD2 3.43Å; R274-D332 PolarHBondContact N-OD1 3Å; S328-D332 PolarHBondContact O-N 3.34Å; E329-D332 PolarHBondContact O-N 2.95Å; D332-A335 WeakPolarHBondContact O-CB 3.26Å; D332-A335 PolarHBondContact O-N 3.39Å; D332-Y336 WeakPolarHBondContact O-CB 3.4Å; D332-Y336 PolarHBondContact O-N 2.86Å; D332-F405 HydrophobicContact CB-CE2 3.95Å; D332-F405 HydrophobicContact CB-CZ 4.02Å |
| 333 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 174.1 | 164 | 0 | 0 | 0 | 0 | 111.7 | E329 S331 Y336 G337 C394 R402 P403 F405 I408 | E329-V333 HydrophobicContact CG-CG2 4.35Å; E329-V333 WeakPolarHBondContact O-CG2 3.34Å; E329-V333 PolarHBondContact O-N 2.88Å; S331-V333 VanDerWaalsContact C-N 3.32Å; S331-V333 PolarHBondContact O-N 3.38Å; V333-Y336 WeakPolarHBondContact O-CB 3.49Å; V333-Y336 PolarHBondContact O-N 2.83Å; V333-G337 PolarHBondContact O-N 2.85Å; V333-G337 VanDerWaalsContact O-N 3.11Å; V333-C394 HydrophobicContact CG1-CB 4.06Å; V333-C394 WeakPolarHBondContact O-CB 3.32Å; V333-R402 HydrophobicContact CG1-CB 3.99Å; V333-P403 HydrophobicContact CG1-CG 4.23Å; V333-F405 HydrophobicContact CB-CZ 4.41Å; V333-F405 HydrophobicContact CG2-CD1 4.41Å; V333-F405 HydrophobicContact CG2-CD2 3.98Å; V333-F405 HydrophobicContact CG2-CE1 4.1Å; V333-F405 HydrophobicContact CG2-CE2 3.64Å; V333-F405 HydrophobicContact CG2-CG 4.36Å; V333-F405 HydrophobicContact CG2-CZ 3.7Å; V333-I408 HydrophobicContact CG1-CD1 4.12Å; V333-I408 HydrophobicContact CG2-CD1 4.2Å |
| 334 | W | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 172.4 | 178.6 | -74.8 | 0 | 0 | 0 | 111.2 | P318 P319 S331 Y336 G337 I338 V371 C394 W395 | P318-W334 HydrophobicContact CB-CB 3.93Å; P318-W334 HydrophobicContact CB-CD2 3.44Å; P318-W334 VanDerWaalsContact CB-CD2 3.44Å; P318-W334 HydrophobicContact CB-CE3 3.51Å; P318-W334 HydrophobicContact CB-CG 3.62Å; P318-W334 HydrophobicContact CB-CZ3 4.15Å; P318-W334 HydrophobicContact CG-CB 4.09Å; P318-W334 HydrophobicContact CG-CG 4.22Å; P319-W334 HydrophobicContact CG-CH2 4.48Å; S331-W334 PolarHBondContact O-N 3.07Å; W334-Y336 PolarHBondContact O-N 2.83Å; W334-G337 WeakPolarHBondContact O-CA 3.25Å; W334-G337 PolarHBondContact O-N 2.69Å; W334-I338 PolarHBondContact O-N 3.09Å; W334-I338 VanDerWaalsContact O-N 3.11Å; W334-V371 HydrophobicContact CH2-CG1 3.59Å; W334-V371 HydrophobicContact CZ2-CG1 3.49Å; W334-V371 VanDerWaalsContact CZ2-CG1 3.49Å; W334-C394 WeakPolarHBondContact CA-O 3.24Å; W334-W395 HydrophobicContact CD2-CB 4.42Å; W334-W395 AromaticContact CD2-CD1 3.6Å; W334-W395 HydrophobicContact CD2-CG 4.32Å; W334-W395 AromaticContact CE2-CD1 3.84Å; W334-W395 VanDerWaalsContact CE3-CA 3.49Å; W334-W395 HydrophobicContact CE3-CB 3.94Å; W334-W395 AromaticContact CE3-CD1 3.96Å; W334-W395 HydrophobicContact CE3-CG 4.32Å; W334-W395 AromaticContact CG-CD1 3.88Å; W334-W395 HydrophobicContact CH2-CB 4.15Å; W334-W395 HydrophobicContact CZ3-CB 3.81Å; W334-W395 HydrophobicContact CZ3-CG 4.48Å; W334-W395 WeakPolarHBondContact CZ3-O 3.31Å; W334-W395 PolarHBondContact O-NE1 3.42Å |
| 335 | A | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 13.4 Ų | 13.4 | 3% | 0.033 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.3 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L276 W316 S331 D332 I338 T339 | L276-A335 HydrophobicContact CB-CB 3.98Å; L276-A335 WeakPolarHBondContact O-CB 3.42Å; W316-A335 HydrophobicContact CB-CB 4.2Å; W316-A335 WeakPolarHBondContact O-CA 3.38Å; W316-A335 VanDerWaalsContact O-CB 3.28Å; W316-A335 WeakPolarHBondContact O-CB 3.43Å; S331-A335 PolarHBondContact O-N 2.9Å; D332-A335 WeakPolarHBondContact O-CB 3.26Å; D332-A335 PolarHBondContact O-N 3.39Å; A335-I338 PolarHBondContact O-N 2.99Å; A335-T339 WeakPolarHBondContact O-CB 3.35Å; A335-T339 PolarHBondContact O-N 3.17Å; A335-T339 PolarHBondContact O-OG1 3.39Å |
| 336 | Y | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 171.1 | 174.6 | -89.6 | 0 | 0 | 0 | 112.3 | C256 I259 A260 L276 D332 V333 W334 I338 T339 I340 I390 F405 I408 L412 | C256-Y336 PolarHBondContact O-OH 3.48Å; I259-Y336 HydrophobicContact CB-CE2 4.08Å; I259-Y336 HydrophobicContact CG2-CD2 3.77Å; I259-Y336 HydrophobicContact CG2-CE2 3.84Å; A260-Y336 HydrophobicContact CB-CE2 4.07Å; L276-Y336 HydrophobicContact CD2-CD2 4.42Å; D332-Y336 WeakPolarHBondContact O-CB 3.4Å; D332-Y336 PolarHBondContact O-N 2.86Å; V333-Y336 WeakPolarHBondContact O-CB 3.49Å; V333-Y336 PolarHBondContact O-N 2.83Å; W334-Y336 PolarHBondContact O-N 2.83Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; Y336-I338 PolarHBondContact O-N 3.12Å; Y336-T339 WeakPolarHBondContact O-CB 3.39Å; Y336-T339 PolarHBondContact O-N 2.64Å; Y336-T339 VanDerWaalsContact O-N 3.15Å; Y336-I340 HydrophobicContact CD1-CG2 4.44Å; Y336-I340 HydrophobicContact CE1-CD1 3.95Å; Y336-I340 HydrophobicContact CE1-CG1 4.46Å; Y336-I340 HydrophobicContact CE1-CG2 3.84Å; Y336-I340 HydrophobicContact CE2-CG2 3.96Å; Y336-I340 PolarHBondContact O-N 3.24Å; Y336-I390 HydrophobicContact CE1-CG2 4.35Å; Y336-F405 HydrophobicContact CD2-CE1 4.02Å; Y336-F405 AromaticContact CG-CE1 3.86Å; Y336-F405 HydrophobicContact CG-CE1 3.86Å; Y336-I408 HydrophobicContact CD1-CD1 3.99Å; Y336-I408 HydrophobicContact CD1-CG2 4.33Å; Y336-I408 HydrophobicContact CE1-CD1 4.26Å; Y336-I408 HydrophobicContact CE1-CG2 3.58Å; Y336-L412 WeakPolarHBondContact OH-CD1 3.18Å |
| 337 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -56.3 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | V333 W334 I340 W341 W395 | V333-G337 PolarHBondContact O-N 2.85Å; V333-G337 VanDerWaalsContact O-N 3.11Å; W334-G337 WeakPolarHBondContact O-CA 3.25Å; W334-G337 PolarHBondContact O-N 2.69Å; G337-I340 VanDerWaalsContact O-CG1 3.27Å; G337-I340 WeakPolarHBondContact O-CG1 3.29Å; G337-I340 PolarHBondContact O-N 2.88Å; G337-W341 PolarHBondContact O-N 3Å; G337-W341 VanDerWaalsContact O-N 3.1Å; G337-W395 WeakPolarHBondContact O-CZ2 3.39Å |
| 338 | I | 98 | Very high | 97 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63 | -43.8 | 174.3 | -52.6 | -68.3 | 0 | 0 | 0 | 110.7 | W316 W334 A335 Y336 I340 W341 E342 P350 Y351 M377 W395 | W316-I338 VanDerWaalsContact CD1-CG2 3.47Å; W316-I338 HydrophobicContact CD2-CG2 4.36Å; W316-I338 HydrophobicContact CG-CB 4.37Å; W316-I338 HydrophobicContact CG-CG2 4.03Å; W334-I338 PolarHBondContact O-N 3.09Å; W334-I338 VanDerWaalsContact O-N 3.11Å; A335-I338 PolarHBondContact O-N 2.99Å; Y336-I338 VanDerWaalsContact C-N 3.33Å; Y336-I338 PolarHBondContact O-N 3.12Å; I338-I340 VanDerWaalsContact C-N 3.34Å; I338-I340 PolarHBondContact O-N 2.99Å; I338-W341 WeakPolarHBondContact O-CB 3.43Å; I338-W341 PolarHBondContact O-N 2.67Å; I338-W341 VanDerWaalsContact O-N 3.12Å; I338-E342 PolarHBondContact O-N 3.11Å; I338-P350 HydrophobicContact CG2-CB 3.92Å; I338-P350 HydrophobicContact CG2-CG 3.46Å; I338-P350 VanDerWaalsContact CG2-CG 3.46Å; I338-Y351 HydrophobicContact CD1-CE2 4.41Å; I338-Y351 WeakPolarHBondContact CD1-OH 3.27Å; I338-M377 HydrophobicContact CD1-CE 3.48Å; I338-M377 VanDerWaalsContact CD1-CE 3.48Å; I338-M377 HydrophobicContact CG2-CE 4.45Å; I338-W395 HydrophobicContact CD1-CZ2 3.72Å; I338-W395 HydrophobicContact CG1-CZ2 4.45Å |
| 339 | T | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.6 | -37.7 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | I259 L276 A277 L278 A335 Y336 L343 | I259-T339 HydrophobicContact CD1-CG2 4.08Å; L276-T339 PolarHBondContact O-OG1 2.93Å; A277-T339 WeakPolarHBondContact CA-OG1 3.48Å; L278-T339 HydrophobicContact CB-CG2 4.25Å; L278-T339 HydrophobicContact CD1-CG2 4.07Å; A335-T339 WeakPolarHBondContact O-CB 3.35Å; A335-T339 PolarHBondContact O-N 3.17Å; A335-T339 PolarHBondContact O-OG1 3.39Å; Y336-T339 WeakPolarHBondContact O-CB 3.39Å; Y336-T339 PolarHBondContact O-N 2.64Å; Y336-T339 VanDerWaalsContact O-N 3.15Å; T339-L343 WeakPolarHBondContact O-CB 3.28Å; T339-L343 PolarHBondContact O-N 3.13Å; T339-L343 VanDerWaalsContact O-N 3.13Å |
| 340 | I | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -77.5 | -28.5 | 175.2 | 65.1 | 172.2 | 0 | 0 | 0 | 112.6 | C256 Y336 G337 I338 L343 F344 V387 I390 M391 | C256-I340 HydrophobicContact CB-CG2 4.16Å; Y336-I340 HydrophobicContact CD1-CG2 4.44Å; Y336-I340 HydrophobicContact CE1-CD1 3.95Å; Y336-I340 HydrophobicContact CE1-CG1 4.46Å; Y336-I340 HydrophobicContact CE1-CG2 3.84Å; Y336-I340 HydrophobicContact CE2-CG2 3.96Å; Y336-I340 PolarHBondContact O-N 3.24Å; G337-I340 VanDerWaalsContact O-CG1 3.27Å; G337-I340 WeakPolarHBondContact O-CG1 3.29Å; G337-I340 PolarHBondContact O-N 2.88Å; I338-I340 VanDerWaalsContact C-N 3.34Å; I338-I340 PolarHBondContact O-N 2.99Å; I340-L343 PolarHBondContact O-N 2.73Å; I340-F344 WeakPolarHBondContact O-CD2 3.36Å; I340-F344 PolarHBondContact O-N 2.76Å; I340-V387 HydrophobicContact CD1-CG1 4.22Å; I340-I390 HydrophobicContact CD1-CG2 4.43Å; I340-M391 HydrophobicContact CD1-CB 3.82Å; I340-M391 HydrophobicContact CD1-CG 4.27Å; I340-M391 HydrophobicContact CG1-CB 4.3Å; I340-M391 HydrophobicContact CG1-CG 4.2Å |
| 341 | W | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.008 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 168.9 | -172.8 | 95.4 | 0 | 0 | 0 | 111.6 | G337 I338 L343 F344 T345 R348 H349 M377 E378 M391 W395 | G337-W341 PolarHBondContact O-N 3Å; G337-W341 VanDerWaalsContact O-N 3.1Å; I338-W341 WeakPolarHBondContact O-CB 3.43Å; I338-W341 PolarHBondContact O-N 2.67Å; I338-W341 VanDerWaalsContact O-N 3.12Å; W341-L343 PolarHBondContact O-N 2.85Å; W341-F344 PolarHBondContact O-N 3.43Å; W341-T345 HydrophobicContact CD2-CG2 3.81Å; W341-T345 HydrophobicContact CE3-CG2 3.93Å; W341-T345 HydrophobicContact CH2-CG2 3.92Å; W341-T345 HydrophobicContact CZ2-CG2 3.77Å; W341-T345 HydrophobicContact CZ3-CG2 3.97Å; W341-T345 WeakPolarHBondContact O-CB 3.3Å; W341-T345 WeakPolarHBondContact O-CG2 3.35Å; W341-T345 PolarHBondContact O-N 3.24Å; W341-T345 PolarHBondContact O-OG1 3.23Å; W341-R348 HydrophobicContact CH2-CB 3.92Å; W341-R348 HydrophobicContact CZ3-CB 3.83Å; W341-H349 WeakPolarHBondContact CZ3-O 3.39Å; W341-M377 HydrophobicContact CB-CE 4.21Å; W341-M377 HydrophobicContact CD2-CE 3.8Å; W341-M377 HydrophobicContact CD2-SD 3.84Å; W341-M377 HydrophobicContact CE3-CE 4.12Å; W341-M377 HydrophobicContact CE3-SD 4Å; W341-M377 HydrophobicContact CG-CE 3.85Å; W341-M377 HydrophobicContact CG-SD 4.44Å; W341-M377 HydrophobicContact CH2-SD 3.99Å; W341-M377 HydrophobicContact CZ2-CB 4.25Å; W341-M377 HydrophobicContact CZ2-CG 4.44Å; W341-M377 HydrophobicContact CZ2-SD 3.82Å; W341-M377 HydrophobicContact CZ3-SD 4.1Å; W341-E378 PolarHBondContact NE1-O 3.24Å; W341-M391 HydrophobicContact CB-SD 3.89Å; W341-M391 HydrophobicContact CG-SD 4.25Å; W341-W395 HydrophobicContact CB-CH2 4.19Å; W341-W395 HydrophobicContact CB-CZ2 4.24Å; W341-W395 HydrophobicContact CG-CH2 4.31Å |
| 342 | E | 97.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -53.4 | -43.4 | 171.4 | -70.4 | -179.2 | 87.2 | 0 | 0 | 110.9 | I237 L278 W316 I338 T345 D346 G347 P350 | I237-E342 WeakPolarHBondContact CD1-OE1 3.07Å; L278-E342 HydrophobicContact CB-CB 3.75Å; L278-E342 HydrophobicContact CB-CG 4.29Å; L278-E342 WeakPolarHBondContact CB-OE1 3.41Å; L278-E342 WeakPolarHBondContact CB-OE2 3.43Å; L278-E342 HydrophobicContact CD2-CB 3.76Å; L278-E342 HydrophobicContact CG-CB 4.36Å; L278-E342 PolarHBondContact N-OE2 2.92Å; W316-E342 PolarHBondContact NE1-OE2 3.44Å; I338-E342 PolarHBondContact O-N 3.11Å; E342-T345 WeakPolarHBondContact CA-OG1 3.42Å; E342-T345 PolarHBondContact O-OG1 3.5Å; E342-T345 VanDerWaalsContact O-OG1 3.04Å; E342-D346 PolarHBondContact O-N 3.11Å; E342-G347 WeakPolarHBondContact O-CA 3.49Å; E342-G347 PolarHBondContact O-N 3.29Å; E342-P350 HydrophobicContact CG-CG 4.14Å |
| 343 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.8 | -42.7 | -178.2 | 170.2 | 56.7 | 0 | 0 | 0 | 112.3 | V240 K252 F255 C256 L278 T339 I340 W341 D346 | V240-L343 HydrophobicContact CG1-CD1 3.74Å; K252-L343 HydrophobicContact CB-CD1 4.25Å; K252-L343 HydrophobicContact CB-CD2 4.41Å; K252-L343 HydrophobicContact CB-CG 4.16Å; K252-L343 HydrophobicContact CD-CD1 4.38Å; K252-L343 HydrophobicContact CD-CG 4.49Å; K252-L343 WeakPolarHBondContact CD-O 3.21Å; K252-L343 WeakPolarHBondContact CE-O 3.36Å; K252-L343 HydrophobicContact CG-CD1 4.1Å; K252-L343 HydrophobicContact CG-CG 4.42Å; K252-L343 PolarHBondContact NZ-O 2.94Å; F255-L343 HydrophobicContact CB-CD2 3.83Å; F255-L343 HydrophobicContact CD2-CD1 4.05Å; C256-L343 VanDerWaalsContact SG-CD2 3.6Å; L278-L343 HydrophobicContact CD1-CB 4.05Å; L278-L343 HydrophobicContact CD2-CB 4.13Å; T339-L343 WeakPolarHBondContact O-CB 3.28Å; T339-L343 PolarHBondContact O-N 3.13Å; T339-L343 VanDerWaalsContact O-N 3.13Å; I340-L343 PolarHBondContact O-N 2.73Å; W341-L343 PolarHBondContact O-N 2.85Å; L343-D346 PolarHBondContact O-N 2.67Å |
| 344 | F | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -75 | -27.3 | 179.3 | -85.6 | -85 | 0 | 0 | 0 | 113.4 | A249 K252 I340 W341 D346 P380 T382 M383 V387 | A249-F344 HydrophobicContact CB-CE1 4.26Å; K252-F344 HydrophobicContact CB-CD1 4.42Å; K252-F344 HydrophobicContact CB-CE1 3.81Å; K252-F344 HydrophobicContact CB-CE2 3.92Å; K252-F344 HydrophobicContact CB-CZ 3.54Å; K252-F344 HydrophobicContact CD-CD1 3.69Å; K252-F344 HydrophobicContact CD-CE1 3.83Å; K252-F344 HydrophobicContact CD-CG 4.09Å; K252-F344 HydrophobicContact CD-CZ 4.36Å; K252-F344 HydrophobicContact CG-CE1 4.39Å; K252-F344 PolarHBondContact NZ-O 2.86Å; I340-F344 WeakPolarHBondContact O-CD2 3.36Å; I340-F344 PolarHBondContact O-N 2.76Å; W341-F344 PolarHBondContact O-N 3.43Å; F344-D346 VanDerWaalsContact C-N 3.3Å; F344-D346 PolarHBondContact O-N 3.39Å; F344-P380 HydrophobicContact CB-CG 4.27Å; F344-T382 WeakPolarHBondContact CE1-O 3.47Å; F344-T382 PolarHBondContact O-OG1 3.12Å; F344-M383 HydrophobicContact CB-CB 4.26Å; F344-M383 HydrophobicContact CB-CE 3.54Å; F344-M383 HydrophobicContact CD1-CB 3.8Å; F344-M383 HydrophobicContact CD1-CG 4.15Å; F344-M383 HydrophobicContact CD2-CE 3.59Å; F344-M383 HydrophobicContact CD2-CG 4.14Å; F344-M383 HydrophobicContact CE1-CB 4.3Å; F344-M383 HydrophobicContact CE1-CG 4.38Å; F344-M383 HydrophobicContact CE2-CE 4.49Å; F344-M383 HydrophobicContact CE2-CG 4.36Å; F344-M383 HydrophobicContact CG-CB 3.94Å; F344-M383 HydrophobicContact CG-CE 3.67Å; F344-M383 HydrophobicContact CG-CG 4.02Å; F344-M383 HydrophobicContact CZ-CG 4.47Å; F344-V387 HydrophobicContact CD2-CG1 4.45Å; F344-V387 HydrophobicContact CE2-CG1 3.82Å; F344-V387 HydrophobicContact CZ-CG1 4.34Å |
| 345 | T | 95 | Very high | 93.7 | Very high | 13 Ų | 13 | 20.6 Ų | 20.6 | 8% | 0.08 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1.5 | 173 | 55.3 | 0 | 0 | 0 | 0 | 115.7 | W341 E342 G347 R348 P380 | W341-T345 HydrophobicContact CD2-CG2 3.81Å; W341-T345 HydrophobicContact CE3-CG2 3.93Å; W341-T345 HydrophobicContact CH2-CG2 3.92Å; W341-T345 HydrophobicContact CZ2-CG2 3.77Å; W341-T345 HydrophobicContact CZ3-CG2 3.97Å; W341-T345 WeakPolarHBondContact O-CB 3.3Å; W341-T345 WeakPolarHBondContact O-CG2 3.35Å; W341-T345 PolarHBondContact O-N 3.24Å; W341-T345 PolarHBondContact O-OG1 3.23Å; E342-T345 WeakPolarHBondContact CA-OG1 3.42Å; E342-T345 PolarHBondContact O-OG1 3.5Å; E342-T345 VanDerWaalsContact O-OG1 3.04Å; T345-G347 VanDerWaalsContact C-N 3.29Å; T345-G347 PolarHBondContact O-N 2.95Å; T345-R348 HydrophobicContact CG2-CB 4.3Å; T345-R348 PolarHBondContact OG1-N 3.27Å; T345-P380 HydrophobicContact CG2-CB 4.47Å; T345-P380 HydrophobicContact CG2-CG 3.52Å |
| 346 | D | 93.8 | Very high | 92.8 | Very high | 18 Ų | 18 | 26 Ų | 26 | 10% | 0.096 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 36.6 | -170.9 | -64.7 | -35.3 | 0 | 0 | 0 | 113.4 | R241 K244 G245 K252 E342 L343 F344 | R241-D346 WeakPolarHBondContact CG-O 3.22Å; K244-D346 WeakPolarHBondContact CA-OD2 3.35Å; K244-D346 HydrophobicContact CB-CB 4.04Å; K244-D346 HydrophobicContact CD-CB 4.28Å; K244-D346 HydrophobicContact CG-CB 3.78Å; G245-D346 PolarHBondContact N-OD2 2.67Å; K252-D346 WeakPolarHBondContact CE-OD1 3.33Å; K252-D346 IonicContact NZ-OD1 3.99Å; K252-D346 PolarHBondContact NZ-OD1 3.44Å; K252-D346 IonicContact NZ-OD2 2.67Å; E342-D346 PolarHBondContact O-N 3.11Å; L343-D346 PolarHBondContact O-N 2.67Å; F344-D346 VanDerWaalsContact C-N 3.3Å; F344-D346 PolarHBondContact O-N 3.39Å |
| 347 | G | 91.1 | Very high | 92 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 79.3 | 41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R241 E342 T345 | R241-G347 PolarHBondContact NE-O 3.36Å; R241-G347 PolarHBondContact NH2-O 3.24Å; E342-G347 WeakPolarHBondContact O-CA 3.49Å; E342-G347 PolarHBondContact O-N 3.29Å; T345-G347 VanDerWaalsContact C-N 3.29Å; T345-G347 PolarHBondContact O-N 2.95Å |
| 348 | R | 92.7 | Very high | 91.2 | Very high | 97 Ų | 97 | 34.3 Ų | 34.3 | 37% | 0.366 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 159.5 | 159.7 | -82.2 | 172.4 | 64.9 | -170.5 | -3.7 | 109.8 | W341 T345 D352 | W341-R348 HydrophobicContact CH2-CB 3.92Å; W341-R348 HydrophobicContact CZ3-CB 3.83Å; T345-R348 HydrophobicContact CG2-CB 4.3Å; T345-R348 PolarHBondContact OG1-N 3.27Å; R348-D352 WeakPolarHBondContact CB-OD2 3.35Å; R348-D352 WeakPolarHBondContact CG-OD2 3.49Å; R348-D352 IonicContact CZ-OD1 3.92Å; R348-D352 IonicContact NE-OD1 2.65Å; R348-D352 PolarHBondContact NE-OD1 2.87Å; R348-D352 IonicContact NE-OD2 3.6Å; R348-D352 PolarHBondContact NE-OD2 2.85Å; R348-D352 IonicContact NH2-OD1 2.99Å; R348-D352 PolarHBondContact NH2-OD1 3.49Å |
| 349 | H | 89.2 | Confident | 90.1 | Very high | 99 Ų | 99 | 36.3 Ų | 36.3 | 46% | 0.458 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -79.6 | 137.1 | 169.5 | -64.5 | 115.1 | 0 | 0 | 0 | 108.2 | R241 W341 Y351 D352 | R241-H349 PolarHBondContact NH2-CD2 3.16Å; R241-H349 PolarHBondContact NH2-NE2 3.29Å; W341-H349 WeakPolarHBondContact CZ3-O 3.39Å; H349-Y351 PolarHBondContact O-N 3.32Å; H349-D352 HydrophobicContact CB-CB 4.4Å; H349-D352 WeakPolarHBondContact O-CB 3.42Å; H349-D352 VanDerWaalsContact O-CG 3.28Å; H349-D352 PolarHBondContact O-N 3.34Å |
| 350 | P | 92.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 139.5 | 173.4 | -26.5 | 35.7 | 0 | 0 | 0 | 110.8 | M315 W316 I338 E342 D352 M377 | M315-P350 HydrophobicContact CB-CB 4.3Å; W316-P350 HydrophobicContact CH2-CG 4.25Å; W316-P350 HydrophobicContact CZ2-CG 3.8Å; I338-P350 HydrophobicContact CG2-CB 3.92Å; I338-P350 HydrophobicContact CG2-CG 3.46Å; I338-P350 VanDerWaalsContact CG2-CG 3.46Å; E342-P350 HydrophobicContact CG-CG 4.14Å; P350-D352 PolarHBondContact O-N 3.32Å; P350-M377 HydrophobicContact CB-CE 4.22Å; P350-M377 HydrophobicContact CB-SD 3.97Å |
| 351 | Y | 92.4 | Very high | 87.3 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 20.3 | 178 | -45.2 | -76.3 | 0 | 0 | 0 | 114.9 | M315 I338 H349 E353 L354 Y355 L367 V371 Y375 M377 | M315-Y351 HydrophobicContact CB-CD2 4.05Å; M315-Y351 HydrophobicContact CB-CE2 3.99Å; M315-Y351 HydrophobicContact CG-CD2 4.06Å; M315-Y351 HydrophobicContact CG-CE2 4.42Å; M315-Y351 WeakPolarHBondContact O-CE2 3.4Å; M315-Y351 HydrophobicContact SD-CD2 4.27Å; I338-Y351 HydrophobicContact CD1-CE2 4.41Å; I338-Y351 WeakPolarHBondContact CD1-OH 3.27Å; H349-Y351 PolarHBondContact O-N 3.32Å; Y351-E353 WeakPolarHBondContact CA-OE2 3.49Å; Y351-E353 PolarHBondContact O-N 2.88Å; Y351-E353 VanDerWaalsContact O-N 3.15Å; Y351-L354 HydrophobicContact CD1-CD1 4.28Å; Y351-L354 WeakPolarHBondContact O-CA 3.3Å; Y351-L354 WeakPolarHBondContact O-CB 3.49Å; Y351-L354 PolarHBondContact O-N 2.89Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.07Å; Y351-Y355 PolarHBondContact O-N 2.03Å; Y351-L367 HydrophobicContact CD1-CD1 3.57Å; Y351-L367 HydrophobicContact CD2-CD1 3.89Å; Y351-L367 HydrophobicContact CD2-CD2 3.64Å; Y351-L367 HydrophobicContact CD2-CG 4.38Å; Y351-L367 HydrophobicContact CE1-CD1 3.97Å; Y351-L367 HydrophobicContact CE2-CD1 4.27Å; Y351-L367 HydrophobicContact CE2-CD2 4Å; Y351-L367 HydrophobicContact CG-CD1 3.51Å; Y351-L367 HydrophobicContact CG-CD2 4.08Å; Y351-L367 HydrophobicContact CG-CG 4.45Å; Y351-V371 HydrophobicContact CE1-CG2 3.85Å; Y351-Y375 AromaticContact CD1-CE1 3.89Å; Y351-Y375 HydrophobicContact CD1-CE1 3.89Å; Y351-Y375 HydrophobicContact CE1-CD1 4.42Å; Y351-Y375 HydrophobicContact CE1-CE1 4.08Å; Y351-M377 HydrophobicContact CD1-CG 3.59Å; Y351-M377 HydrophobicContact CD1-SD 3.85Å; Y351-M377 HydrophobicContact CD2-SD 4.38Å; Y351-M377 HydrophobicContact CE1-CE 4.36Å; Y351-M377 HydrophobicContact CE1-CG 3.62Å; Y351-M377 HydrophobicContact CE1-SD 3.96Å; Y351-M377 HydrophobicContact CE2-SD 4.46Å; Y351-M377 HydrophobicContact CG-CG 4.38Å; Y351-M377 HydrophobicContact CG-SD 4.09Å; Y351-M377 PolarHBondContact N-SD 3.31Å |
| 352 | D | 88 | Confident | 86 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.7 | 178.1 | 66.8 | 8.3 | 0 | 0 | 0 | 113.4 | R348 H349 P350 L354 | R348-D352 WeakPolarHBondContact CB-OD2 3.35Å; R348-D352 WeakPolarHBondContact CG-OD2 3.49Å; R348-D352 IonicContact CZ-OD1 3.92Å; R348-D352 IonicContact NE-OD1 2.65Å; R348-D352 PolarHBondContact NE-OD1 2.87Å; R348-D352 IonicContact NE-OD2 3.6Å; R348-D352 PolarHBondContact NE-OD2 2.85Å; R348-D352 IonicContact NH2-OD1 2.99Å; R348-D352 PolarHBondContact NH2-OD1 3.49Å; H349-D352 HydrophobicContact CB-CB 4.4Å; H349-D352 WeakPolarHBondContact O-CB 3.42Å; H349-D352 VanDerWaalsContact O-CG 3.28Å; H349-D352 PolarHBondContact O-N 3.34Å; P350-D352 PolarHBondContact O-N 3.32Å; D352-L354 VanDerWaalsContact C-N 3.25Å; D352-L354 PolarHBondContact O-N 3.15Å |
| 353 | E | 87.7 | Confident | 85 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.2 | 169.7 | 70.3 | -90 | -115.8 | 0 | 0 | 114.9 | Y351 K357 Y375 | Y351-E353 WeakPolarHBondContact CA-OE2 3.49Å; Y351-E353 PolarHBondContact O-N 2.88Å; Y351-E353 VanDerWaalsContact O-N 3.15Å; E353-K357 WeakPolarHBondContact O-CE 3.24Å; E353-K357 PolarHBondContact O-NZ 2.83Å; E353-Y375 PolarHBondContact OE1-OH 3.31Å |
| 354 | L | 88.8 | Confident | 84 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -21.4 | 175.7 | -58.4 | -172.9 | 0 | 0 | 0 | 113.3 | Y351 D352 P356 K357 L358 L367 I370 Y375 | Y351-L354 HydrophobicContact CD1-CD1 4.28Å; Y351-L354 WeakPolarHBondContact O-CA 3.3Å; Y351-L354 WeakPolarHBondContact O-CB 3.49Å; Y351-L354 PolarHBondContact O-N 2.89Å; D352-L354 VanDerWaalsContact C-N 3.25Å; D352-L354 PolarHBondContact O-N 3.15Å; L354-P356 VanDerWaalsContact C-CD 3.46Å; L354-P356 VanDerWaalsContact C-N 3.3Å; L354-K357 HydrophobicContact CD2-CD 4.15Å; L354-K357 WeakPolarHBondContact O-CA 3.48Å; L354-K357 WeakPolarHBondContact O-CB 3.18Å; L354-K357 PolarHBondContact O-N 2.95Å; L354-L358 HydrophobicContact CB-CD1 4Å; L354-L358 HydrophobicContact CB-CG 4.21Å; L354-L358 HydrophobicContact CD1-CD1 4.45Å; L354-L358 WeakPolarHBondContact O-CG 3.41Å; L354-L358 PolarHBondContact O-N 2.05Å; L354-L367 HydrophobicContact CD1-CD1 3.92Å; L354-I370 HydrophobicContact CD1-CG2 4.14Å; L354-Y375 HydrophobicContact CD1-CD1 4.12Å; L354-Y375 HydrophobicContact CD1-CE1 3.79Å; L354-Y375 HydrophobicContact CG-CE1 4.43Å |
| 355 | Y | 79.3 | Confident | 83.3 | Confident | 81 Ų | 81 | 64 Ų | 64 | 32% | 0.318 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -37.1 | 178.7 | -85.4 | -110.5 | 0 | 0 | 0 | 114.4 | M315 Y351 K357 F363 | M315-Y355 HydrophobicContact SD-CE2 4.41Å; Y351-Y355 WeakPolarHBondContact O-CD2 3.07Å; Y351-Y355 PolarHBondContact O-N 2.03Å; Y355-K357 VanDerWaalsContact C-N 3.26Å; Y355-K357 PolarHBondContact O-N 2.87Å; Y355-F363 HydrophobicContact CD1-CE2 4.28Å; Y355-F363 HydrophobicContact CD2-CE1 4.45Å; Y355-F363 AromaticContact CD2-CE2 3.55Å; Y355-F363 HydrophobicContact CD2-CE2 3.55Å; Y355-F363 AromaticContact CD2-CZ 3.49Å; Y355-F363 HydrophobicContact CD2-CZ 3.49Å; Y355-F363 VanDerWaalsContact CD2-CZ 3.49Å; Y355-F363 HydrophobicContact CE1-CE2 4.4Å; Y355-F363 HydrophobicContact CE1-CZ 4.35Å; Y355-F363 AromaticContact CE2-CE1 3.77Å; Y355-F363 HydrophobicContact CE2-CE1 3.77Å; Y355-F363 AromaticContact CE2-CE2 3.72Å; Y355-F363 HydrophobicContact CE2-CE2 3.72Å; Y355-F363 AromaticContact CE2-CZ 3.19Å; Y355-F363 HydrophobicContact CE2-CZ 3.19Å; Y355-F363 AromaticContact CG-CE2 3.87Å; Y355-F363 HydrophobicContact CG-CE2 3.87Å; Y355-F363 HydrophobicContact CG-CZ 4.22Å; Y355-F363 AromaticContact CZ-CE1 3.81Å; Y355-F363 AromaticContact CZ-CZ 3.66Å |
| 356 | P | 79.9 | Confident | 82.9 | Confident | 117 Ų | 117 | 66.1 Ų | 66.1 | 76% | 0.76 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -5 | 175.4 | -17.8 | 33.2 | 0 | 0 | 0 | 115.1 | L354 | L354-P356 VanDerWaalsContact C-CD 3.46Å; L354-P356 VanDerWaalsContact C-N 3.3Å |
| 357 | K | 83.1 | Confident | 82.6 | Confident | 151 Ų | 151 | 65.5 Ų | 65.5 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -18.4 | -172 | -60.3 | 171.8 | -175.8 | 148.2 | 0 | 113.5 | E353 L354 Y355 | E353-K357 WeakPolarHBondContact O-CE 3.24Å; E353-K357 PolarHBondContact O-NZ 2.83Å; L354-K357 HydrophobicContact CD2-CD 4.15Å; L354-K357 WeakPolarHBondContact O-CA 3.48Å; L354-K357 WeakPolarHBondContact O-CB 3.18Å; L354-K357 PolarHBondContact O-N 2.95Å; Y355-K357 VanDerWaalsContact C-N 3.26Å; Y355-K357 PolarHBondContact O-N 2.87Å |
| 358 | L | 81.2 | Confident | 82.3 | Confident | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -111.9 | 157.5 | -175.2 | -54.9 | -172.1 | 0 | 0 | 0 | 110.9 | L354 H360 F363 E366 L367 I370 | L354-L358 HydrophobicContact CB-CD1 4Å; L354-L358 HydrophobicContact CB-CG 4.21Å; L354-L358 HydrophobicContact CD1-CD1 4.45Å; L354-L358 WeakPolarHBondContact O-CG 3.41Å; L354-L358 PolarHBondContact O-N 2.05Å; L358-H360 PolarHBondContact O-N 2.89Å; L358-F363 HydrophobicContact CB-CD2 4Å; L358-F363 HydrophobicContact CB-CE2 4.42Å; L358-F363 HydrophobicContact CD1-CD2 4.05Å; L358-F363 HydrophobicContact CD1-CE2 3.92Å; L358-E366 VanDerWaalsContact CA-OE2 3.22Å; L358-E366 WeakPolarHBondContact CA-OE2 3.17Å; L358-E366 HydrophobicContact CB-CB 4.4Å; L358-E366 VanDerWaalsContact CB-OE2 3.3Å; L358-E366 WeakPolarHBondContact CB-OE2 3.27Å; L358-E366 HydrophobicContact CD1-CB 4.16Å; L358-E366 HydrophobicContact CD2-CB 4.25Å; L358-E366 HydrophobicContact CG-CB 4.49Å; L358-L367 HydrophobicContact CD1-CB 4.3Å; L358-I370 HydrophobicContact CD1-CD1 4.16Å; L358-I370 HydrophobicContact CD2-CD1 3.36Å; L358-I370 HydrophobicContact CG-CD1 4.39Å |
| 359 | S | 73.9 | Confident | 82.1 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | trans | -63.7 | 130.8 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | E361 N362 F363 E366 | S359-E361 PolarHBondContact O-N 3.46Å; S359-E361 PolarHBondContact OG-N 2.8Å; S359-N362 PolarHBondContact O-N 2.9Å; S359-F363 WeakPolarHBondContact O-CA 3.19Å; S359-F363 WeakPolarHBondContact O-CB 3.08Å; S359-F363 PolarHBondContact O-N 2.98Å; S359-E366 WeakPolarHBondContact CB-OE1 3.37Å; S359-E366 PolarHBondContact N-OE2 3.18Å | ||
| 360 | H | 69 | Low | 82.2 | Confident | 139 Ų | 139 | 65.9 Ų | 65.9 | 64% | 0.644 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -63.9 | -25.5 | 170.6 | -69.1 | -41.2 | 0 | 0 | 0 | 112.8 | L358 | L358-H360 PolarHBondContact O-N 2.89Š|
| 361 | E | 68.4 | Low | 82.2 | Confident | 177 Ų | 177 | 66.2 Ų | 66.2 | 83% | 0.827 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -79.3 | -38.9 | -177.9 | -66.4 | 167 | -168.7 | 0 | 0 | 111 | S359 | S359-E361 PolarHBondContact O-N 3.46Å; S359-E361 PolarHBondContact OG-N 2.8Å |
| 362 | N | 71 | Confident | 82.1 | Confident | 81 Ų | 81 | 68.9 Ų | 68.9 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -108.7 | 16 | -177.7 | -61.4 | -13.3 | 0 | 0 | 0 | 113.4 | S359 A364 E365 E366 | S359-N362 PolarHBondContact O-N 2.9Å; N362-A364 PolarHBondContact O-N 3.45Å; N362-E365 PolarHBondContact O-N 3.04Å; N362-E366 HydrophobicContact CB-CG 4.27Å; N362-E366 PolarHBondContact O-N 3.49Å |
| 363 | F | 75.4 | Confident | 82.3 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 11% | 0.11 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -49.7 | -41.6 | -168.6 | -179.9 | -95.6 | 0 | 0 | 0 | 113.5 | M315 Y355 L358 S359 L367 | M315-F363 HydrophobicContact CG-CE1 4.44Å; M315-F363 HydrophobicContact SD-CE1 3.95Å; Y355-F363 HydrophobicContact CD1-CE2 4.28Å; Y355-F363 HydrophobicContact CD2-CE1 4.45Å; Y355-F363 AromaticContact CD2-CE2 3.55Å; Y355-F363 HydrophobicContact CD2-CE2 3.55Å; Y355-F363 AromaticContact CD2-CZ 3.49Å; Y355-F363 HydrophobicContact CD2-CZ 3.49Å; Y355-F363 VanDerWaalsContact CD2-CZ 3.49Å; Y355-F363 HydrophobicContact CE1-CE2 4.4Å; Y355-F363 HydrophobicContact CE1-CZ 4.35Å; Y355-F363 AromaticContact CE2-CE1 3.77Å; Y355-F363 HydrophobicContact CE2-CE1 3.77Å; Y355-F363 AromaticContact CE2-CE2 3.72Å; Y355-F363 HydrophobicContact CE2-CE2 3.72Å; Y355-F363 AromaticContact CE2-CZ 3.19Å; Y355-F363 HydrophobicContact CE2-CZ 3.19Å; Y355-F363 AromaticContact CG-CE2 3.87Å; Y355-F363 HydrophobicContact CG-CE2 3.87Å; Y355-F363 HydrophobicContact CG-CZ 4.22Å; Y355-F363 AromaticContact CZ-CE1 3.81Å; Y355-F363 AromaticContact CZ-CZ 3.66Å; L358-F363 HydrophobicContact CB-CD2 4Å; L358-F363 HydrophobicContact CB-CE2 4.42Å; L358-F363 HydrophobicContact CD1-CD2 4.05Å; L358-F363 HydrophobicContact CD1-CE2 3.92Å; S359-F363 WeakPolarHBondContact O-CA 3.19Å; S359-F363 WeakPolarHBondContact O-CB 3.08Å; S359-F363 PolarHBondContact O-N 2.98Å; F363-L367 HydrophobicContact CE1-CD2 3.83Å; F363-L367 HydrophobicContact CZ-CD2 4.2Å; F363-L367 WeakPolarHBondContact O-CB 3.4Å; F363-L367 PolarHBondContact O-N 3.33Å |
| 364 | A | 76.6 | Confident | 82.6 | Confident | 49 Ų | 49 | 76.8 Ų | 76.8 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V314 N362 M368 | V314-A364 HydrophobicContact CG1-CB 4.24Å; V314-A364 HydrophobicContact CG2-CB 4.48Å; N362-A364 PolarHBondContact O-N 3.45Å; A364-M368 VanDerWaalsContact O-CB 3.3Å; A364-M368 WeakPolarHBondContact O-CB 3.5Å; A364-M368 PolarHBondContact O-N 3.47Å |
| 365 | E | 80.8 | Confident | 82.8 | Confident | 117 Ų | 117 | 79.2 Ų | 79.2 | 55% | 0.547 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -77.8 | -45.4 | -179.4 | -176.6 | 172.8 | -155.3 | 0 | 0 | 111 | N362 L367 M368 H369 | N362-E365 PolarHBondContact O-N 3.04Å; E365-L367 PolarHBondContact O-N 2.99Å; E365-M368 PolarHBondContact O-N 3.08Å; E365-H369 PolarHBondContact O-CD2 3.5Å; E365-H369 VanDerWaalsContact O-CD2 3.3Å; E365-H369 PolarHBondContact O-N 3.05Å |
| 366 | E | 86.4 | Confident | 83.5 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.1 | -69.2 | -179.8 | -157.7 | 0 | 0 | 111.6 | L358 S359 N362 H369 I370 | L358-E366 VanDerWaalsContact CA-OE2 3.22Å; L358-E366 WeakPolarHBondContact CA-OE2 3.17Å; L358-E366 HydrophobicContact CB-CB 4.4Å; L358-E366 VanDerWaalsContact CB-OE2 3.3Å; L358-E366 WeakPolarHBondContact CB-OE2 3.27Å; L358-E366 HydrophobicContact CD1-CB 4.16Å; L358-E366 HydrophobicContact CD2-CB 4.25Å; L358-E366 HydrophobicContact CG-CB 4.49Å; S359-E366 WeakPolarHBondContact CB-OE1 3.37Å; S359-E366 PolarHBondContact N-OE2 3.18Å; N362-E366 HydrophobicContact CB-CG 4.27Å; N362-E366 PolarHBondContact O-N 3.49Å; E366-H369 PolarHBondContact O-N 3.22Å; E366-I370 WeakPolarHBondContact O-CB 3.32Å; E366-I370 WeakPolarHBondContact O-CG1 3.45Å; E366-I370 PolarHBondContact O-N 3.38Å |
| 367 | L | 87 | Confident | 84.2 | Confident | 4 Ų | 4 | 72.1 Ų | 72.1 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 173.3 | 176.8 | 64.4 | 0 | 0 | 0 | 111.5 | M315 Y351 L354 L358 F363 E365 H369 I370 V371 | M315-L367 HydrophobicContact CG-CD2 3.78Å; Y351-L367 HydrophobicContact CD1-CD1 3.57Å; Y351-L367 HydrophobicContact CD2-CD1 3.89Å; Y351-L367 HydrophobicContact CD2-CD2 3.64Å; Y351-L367 HydrophobicContact CD2-CG 4.38Å; Y351-L367 HydrophobicContact CE1-CD1 3.97Å; Y351-L367 HydrophobicContact CE2-CD1 4.27Å; Y351-L367 HydrophobicContact CE2-CD2 4Å; Y351-L367 HydrophobicContact CG-CD1 3.51Å; Y351-L367 HydrophobicContact CG-CD2 4.08Å; Y351-L367 HydrophobicContact CG-CG 4.45Å; L354-L367 HydrophobicContact CD1-CD1 3.92Å; L358-L367 HydrophobicContact CD1-CB 4.3Å; F363-L367 HydrophobicContact CE1-CD2 3.83Å; F363-L367 HydrophobicContact CZ-CD2 4.2Å; F363-L367 WeakPolarHBondContact O-CB 3.4Å; F363-L367 PolarHBondContact O-N 3.33Å; E365-L367 PolarHBondContact O-N 2.99Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 3.34Å; L367-I370 PolarHBondContact O-N 3.42Å; L367-V371 HydrophobicContact CD1-CG2 3.78Å; L367-V371 HydrophobicContact CG-CG2 4.25Å; L367-V371 WeakPolarHBondContact O-CB 3.36Å; L367-V371 WeakPolarHBondContact O-CG2 3.45Å; L367-V371 PolarHBondContact O-N 3.09Å |
| 368 | M | 86.4 | Confident | 84.7 | Confident | 58 Ų | 58 | 72.5 Ų | 72.5 | 29% | 0.286 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 178 | 179.9 | 174.7 | 172 | 0 | 0 | 111.1 | L322 E323 A364 E365 I370 A372 | L322-M368 HydrophobicContact CB-CE 3.65Å; L322-M368 HydrophobicContact CB-SD 3.7Å; L322-M368 HydrophobicContact CD1-CB 4.4Å; L322-M368 HydrophobicContact CD1-CG 4.01Å; L322-M368 HydrophobicContact CD1-SD 3.8Å; L322-M368 HydrophobicContact CG-SD 4.37Å; E323-M368 HydrophobicContact CB-CE 4.08Å; A364-M368 VanDerWaalsContact O-CB 3.3Å; A364-M368 WeakPolarHBondContact O-CB 3.5Å; A364-M368 PolarHBondContact O-N 3.47Å; E365-M368 PolarHBondContact O-N 3.08Å; M368-I370 PolarHBondContact O-N 3.3Å; M368-A372 WeakPolarHBondContact O-CB 3.28Å; M368-A372 PolarHBondContact O-N 2.92Å |
| 369 | H | 88.2 | Confident | 85.3 | Confident | 102 Ų | 102 | 72.6 Ų | 72.6 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.8 | -75.4 | -48.7 | 0 | 0 | 0 | 113.4 | E365 E366 L367 R373 | E365-H369 PolarHBondContact O-CD2 3.5Å; E365-H369 VanDerWaalsContact O-CD2 3.3Å; E365-H369 PolarHBondContact O-N 3.05Å; E366-H369 PolarHBondContact O-N 3.22Å; L367-H369 VanDerWaalsContact C-N 3.33Å; L367-H369 PolarHBondContact O-N 3.34Å; H369-R373 WeakPolarHBondContact O-CB 3.43Å; H369-R373 VanDerWaalsContact O-CG 3.24Å; H369-R373 WeakPolarHBondContact O-CG 3.39Å; H369-R373 PolarHBondContact O-N 3.27Å |
| 370 | I | 90.8 | Very high | 86.1 | Confident | 49 Ų | 49 | 71.9 Ų | 71.9 | 25% | 0.251 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -69.2 | -44.5 | 179.5 | -75.3 | 167 | 0 | 0 | 0 | 111.3 | L354 L358 E366 L367 M368 R373 Y375 | L354-I370 HydrophobicContact CD1-CG2 4.14Å; L358-I370 HydrophobicContact CD1-CD1 4.16Å; L358-I370 HydrophobicContact CD2-CD1 3.36Å; L358-I370 HydrophobicContact CG-CD1 4.39Å; E366-I370 WeakPolarHBondContact O-CB 3.32Å; E366-I370 WeakPolarHBondContact O-CG1 3.45Å; E366-I370 PolarHBondContact O-N 3.38Å; L367-I370 PolarHBondContact O-N 3.42Å; M368-I370 PolarHBondContact O-N 3.3Å; I370-R373 PolarHBondContact O-N 2.76Å; I370-Y375 VanDerWaalsContact CG2-CB 3.47Å; I370-Y375 HydrophobicContact CG2-CD1 3.95Å; I370-Y375 HydrophobicContact CG2-CD2 4.48Å; I370-Y375 HydrophobicContact CG2-CG 3.69Å; I370-Y375 VanDerWaalsContact O-CB 3.3Å; I370-Y375 WeakPolarHBondContact O-CB 3.43Å; I370-Y375 PolarHBondContact O-N 3.14Å |
| 371 | V | 92.4 | Very high | 87.1 | Confident | 7 Ų | 7 | 74.6 Ų | 74.6 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | P319 W334 Y351 L367 R373 G374 Y375 R376 | P319-V371 HydrophobicContact CG-CG1 4.23Å; W334-V371 HydrophobicContact CH2-CG1 3.59Å; W334-V371 HydrophobicContact CZ2-CG1 3.49Å; W334-V371 VanDerWaalsContact CZ2-CG1 3.49Å; Y351-V371 HydrophobicContact CE1-CG2 3.85Å; L367-V371 HydrophobicContact CD1-CG2 3.78Å; L367-V371 HydrophobicContact CG-CG2 4.25Å; L367-V371 WeakPolarHBondContact O-CB 3.36Å; L367-V371 WeakPolarHBondContact O-CG2 3.45Å; L367-V371 PolarHBondContact O-N 3.09Å; V371-R373 VanDerWaalsContact C-N 3.32Å; V371-R373 PolarHBondContact O-N 3.16Å; V371-G374 PolarHBondContact O-N 2.82Å; V371-G374 VanDerWaalsContact O-N 3.11Å; V371-Y375 HydrophobicContact CG2-CD1 4.41Å; V371-R376 PolarHBondContact O-NH1 3.35Å |
| 372 | A | 91 | Very high | 88 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.8 | -34.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P319 M368 G374 | P319-A372 HydrophobicContact CB-CB 4.01Å; M368-A372 WeakPolarHBondContact O-CB 3.28Å; M368-A372 PolarHBondContact O-N 2.92Å; A372-G374 PolarHBondContact O-N 3.45Å; A372-G374 VanDerWaalsContact O-N 3.17Å |
| 373 | R | 92.1 | Very high | 89.1 | Confident | 214 Ų | 214 | 66.4 Ų | 66.4 | 81% | 0.808 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 8.4 | 171.7 | -72.9 | 172.8 | -178.7 | 178.4 | 3 | 114.3 | H369 I370 V371 | H369-R373 WeakPolarHBondContact O-CB 3.43Å; H369-R373 VanDerWaalsContact O-CG 3.24Å; H369-R373 WeakPolarHBondContact O-CG 3.39Å; H369-R373 PolarHBondContact O-N 3.27Å; I370-R373 PolarHBondContact O-N 2.76Å; V371-R373 VanDerWaalsContact C-N 3.32Å; V371-R373 PolarHBondContact O-N 3.16Å |
| 374 | G | 92.8 | Very high | 90 | Very high | 44 Ų | 44 | 66.6 Ų | 66.6 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -0.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V371 A372 R376 | V371-G374 PolarHBondContact O-N 2.82Å; V371-G374 VanDerWaalsContact O-N 3.11Å; A372-G374 PolarHBondContact O-N 3.45Å; A372-G374 VanDerWaalsContact O-N 3.17Å; G374-R376 PolarHBondContact O-N 3.19Å |
| 375 | Y | 93.7 | Very high | 90.8 | Very high | 62 Ų | 62 | 68.2 Ų | 68.2 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | trans | -61.4 | 138.6 | 175.1 | 174 | -92 | 0 | 0 | 0 | 111.6 | Y351 E353 L354 I370 V371 M377 | Y351-Y375 AromaticContact CD1-CE1 3.89Å; Y351-Y375 HydrophobicContact CD1-CE1 3.89Å; Y351-Y375 HydrophobicContact CE1-CD1 4.42Å; Y351-Y375 HydrophobicContact CE1-CE1 4.08Å; E353-Y375 PolarHBondContact OE1-OH 3.31Å; L354-Y375 HydrophobicContact CD1-CD1 4.12Å; L354-Y375 HydrophobicContact CD1-CE1 3.79Å; L354-Y375 HydrophobicContact CG-CE1 4.43Å; I370-Y375 VanDerWaalsContact CG2-CB 3.47Å; I370-Y375 HydrophobicContact CG2-CD1 3.95Å; I370-Y375 HydrophobicContact CG2-CD2 4.48Å; I370-Y375 HydrophobicContact CG2-CG 3.69Å; I370-Y375 VanDerWaalsContact O-CB 3.3Å; I370-Y375 WeakPolarHBondContact O-CB 3.43Å; I370-Y375 PolarHBondContact O-N 3.14Å; V371-Y375 HydrophobicContact CG2-CD1 4.41Å; Y375-M377 HydrophobicContact CE1-CG 4.35Å | ||
| 376 | R | 94.6 | Very high | 91.4 | Very high | 49 Ų | 49 | 65.4 Ų | 65.4 | 19% | 0.185 | 34% | 0.344 | C | S | . | . | trans | -135.2 | 147.6 | 174.1 | -59.6 | -62 | 179.1 | -97.6 | 4.9 | 108.6 | V371 G374 W395 | V371-R376 PolarHBondContact O-NH1 3.35Å; G374-R376 PolarHBondContact O-N 3.19Å; R376-W395 HydrophobicContact CB-CE3 4.04Å; R376-W395 HydrophobicContact CB-CZ3 4.33Å; R376-W395 HydrophobicContact CG-CE3 4.36Å; R376-W395 VanDerWaalsContact CZ-O 3.27Å; R376-W395 PolarHBondContact NE-O 3.12Å; R376-W395 PolarHBondContact NH2-O 3.13Å | ||
| 377 | M | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 147 | 175.9 | -64.7 | 177.5 | -64.8 | 0 | 0 | 110.6 | I338 W341 P350 Y351 Y375 W395 | I338-M377 HydrophobicContact CD1-CE 3.48Å; I338-M377 VanDerWaalsContact CD1-CE 3.48Å; I338-M377 HydrophobicContact CG2-CE 4.45Å; W341-M377 HydrophobicContact CB-CE 4.21Å; W341-M377 HydrophobicContact CD2-CE 3.8Å; W341-M377 HydrophobicContact CD2-SD 3.84Å; W341-M377 HydrophobicContact CE3-CE 4.12Å; W341-M377 HydrophobicContact CE3-SD 4Å; W341-M377 HydrophobicContact CG-CE 3.85Å; W341-M377 HydrophobicContact CG-SD 4.44Å; W341-M377 HydrophobicContact CH2-SD 3.99Å; W341-M377 HydrophobicContact CZ2-CB 4.25Å; W341-M377 HydrophobicContact CZ2-CG 4.44Å; W341-M377 HydrophobicContact CZ2-SD 3.82Å; W341-M377 HydrophobicContact CZ3-SD 4.1Å; P350-M377 HydrophobicContact CB-CE 4.22Å; P350-M377 HydrophobicContact CB-SD 3.97Å; Y351-M377 HydrophobicContact CD1-CG 3.59Å; Y351-M377 HydrophobicContact CD1-SD 3.85Å; Y351-M377 HydrophobicContact CD2-SD 4.38Å; Y351-M377 HydrophobicContact CE1-CE 4.36Å; Y351-M377 HydrophobicContact CE1-CG 3.62Å; Y351-M377 HydrophobicContact CE1-SD 3.96Å; Y351-M377 HydrophobicContact CE2-SD 4.46Å; Y351-M377 HydrophobicContact CG-CG 4.38Å; Y351-M377 HydrophobicContact CG-SD 4.09Å; Y351-M377 PolarHBondContact N-SD 3.31Å; Y375-M377 HydrophobicContact CE1-CG 4.35Å; M377-W395 HydrophobicContact CB-CH2 4.21Å; M377-W395 HydrophobicContact CB-CZ3 4.43Å; M377-W395 HydrophobicContact CE-CH2 3.76Å; M377-W395 HydrophobicContact CE-CZ2 3.77Å |
| 378 | E | 93.1 | Very high | 92.3 | Very high | 158 Ų | 158 | 65 Ų | 65 | 74% | 0.738 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 143.9 | 179.3 | -66.4 | 177.2 | 176.3 | 0 | 0 | 111.3 | W341 P380 | W341-E378 PolarHBondContact NE1-O 3.24Å; E378-P380 WeakPolarHBondContact O-CD 3.45Å |
| 379 | A | 93.8 | Very high | 92.7 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 124 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q388 M391 | A379-Q388 HydrophobicContact CB-CB 4.11Å; A379-Q388 HydrophobicContact CB-CG 3.76Å; A379-M391 HydrophobicContact CB-CE 3.75Å |
| 380 | P | 91 | Very high | 93.1 | Very high | 25 Ų | 25 | 62 Ų | 62 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 139.4 | 178.9 | -21.4 | 32.9 | 0 | 0 | 0 | 111.3 | F344 T345 E378 T382 M383 | F344-P380 HydrophobicContact CB-CG 4.27Å; T345-P380 HydrophobicContact CG2-CB 4.47Å; T345-P380 HydrophobicContact CG2-CG 3.52Å; E378-P380 WeakPolarHBondContact O-CD 3.45Å; P380-T382 PolarHBondContact O-N 2.95Å; P380-M383 WeakPolarHBondContact O-CB 3.49Å; P380-M383 PolarHBondContact O-N 3.22Å |
| 381 | E | 88.8 | Confident | 93.5 | Very high | 197 Ų | 197 | 59.7 Ų | 59.7 | 92% | 0.921 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -28.5 | -179.8 | -60.1 | 177 | 167.3 | 0 | 0 | 114.2 | M383 | E381-M383 VanDerWaalsContact C-N 3.28Å; E381-M383 PolarHBondContact O-N 3.4Å |
| 382 | T | 88.2 | Confident | 93.7 | Very high | 83 Ų | 83 | 62.9 Ų | 62.9 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.2 | 178.7 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | F344 P380 | F344-T382 WeakPolarHBondContact CE1-O 3.47Å; F344-T382 PolarHBondContact O-OG1 3.12Å; P380-T382 PolarHBondContact O-N 2.95Å |
| 383 | M | 94.4 | Very high | 94 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -84.7 | 119 | 176.6 | -171.9 | -179.6 | -72.7 | 0 | 0 | 110.1 | F344 P380 E381 V387 Q388 M391 | F344-M383 HydrophobicContact CB-CB 4.26Å; F344-M383 HydrophobicContact CB-CE 3.54Å; F344-M383 HydrophobicContact CD1-CB 3.8Å; F344-M383 HydrophobicContact CD1-CG 4.15Å; F344-M383 HydrophobicContact CD2-CE 3.59Å; F344-M383 HydrophobicContact CD2-CG 4.14Å; F344-M383 HydrophobicContact CE1-CB 4.3Å; F344-M383 HydrophobicContact CE1-CG 4.38Å; F344-M383 HydrophobicContact CE2-CE 4.49Å; F344-M383 HydrophobicContact CE2-CG 4.36Å; F344-M383 HydrophobicContact CG-CB 3.94Å; F344-M383 HydrophobicContact CG-CE 3.67Å; F344-M383 HydrophobicContact CG-CG 4.02Å; F344-M383 HydrophobicContact CZ-CG 4.47Å; P380-M383 WeakPolarHBondContact O-CB 3.49Å; P380-M383 PolarHBondContact O-N 3.22Å; E381-M383 VanDerWaalsContact C-N 3.28Å; E381-M383 PolarHBondContact O-N 3.4Å; M383-V387 HydrophobicContact CG-CB 3.77Å; M383-V387 HydrophobicContact CG-CG1 3.83Å; M383-V387 HydrophobicContact SD-CB 4.31Å; M383-V387 HydrophobicContact SD-CG1 4.01Å; M383-Q388 HydrophobicContact CB-CG 4.07Å; M383-Q388 HydrophobicContact CG-CG 3.77Å; M383-Q388 PolarHBondContact O-NE2 3.21Å; M383-Q388 HydrophobicContact SD-CB 4.24Å; M383-Q388 HydrophobicContact SD-CG 3.8Å; M383-M391 HydrophobicContact CE-SD 3.63Å; M383-M391 HydrophobicContact SD-CB 4.31Å; M383-M391 HydrophobicContact SD-CE 4.33Å; M383-M391 HydrophobicContact SD-SD 3.95Å |
| 384 | P | 93.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 55.1 Ų | 55.1 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | trans | -60.7 | 142 | 176.9 | -21.9 | 32.9 | 0 | 0 | 0 | 111.4 | A249 P386 V387 Q388 | A249-P384 HydrophobicContact CB-CG 4.47Å; P384-P386 VanDerWaalsContact C-CD 3.49Å; P384-P386 VanDerWaalsContact O-N 3.17Å; P384-V387 HydrophobicContact CB-CG2 4.34Å; P384-V387 HydrophobicContact CG-CG2 4.4Å; P384-V387 WeakPolarHBondContact O-CA 3.26Å; P384-V387 WeakPolarHBondContact O-CB 3.43Å; P384-V387 PolarHBondContact O-N 3.24Å; P384-Q388 PolarHBondContact O-N 2.81Å | ||
| 385 | P | 93.7 | Very high | 94.5 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -50.9 | -41.9 | -175.4 | -28 | 34.1 | 0 | 0 | 0 | 115.5 | V387 Q388 D389 | P385-V387 PolarHBondContact O-N 3.01Å; P385-Q388 WeakPolarHBondContact O-CA 3.11Å; P385-Q388 WeakPolarHBondContact O-CB 3.41Å; P385-Q388 PolarHBondContact O-N 3.44Å; P385-D389 PolarHBondContact O-N 3.49Å |
| 386 | P | 92.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -17.2 | 176 | -24.2 | 35.8 | 0 | 0 | 0 | 115 | P384 I390 A415 | P384-P386 VanDerWaalsContact C-CD 3.49Å; P384-P386 VanDerWaalsContact O-N 3.17Å; P386-I390 WeakPolarHBondContact O-CD1 3.39Å; P386-I390 VanDerWaalsContact O-CG1 3.22Å; P386-I390 WeakPolarHBondContact O-CG1 3.43Å; P386-A415 HydrophobicContact CB-CB 3.67Å; P386-A415 HydrophobicContact CG-CB 4.44Å |
| 387 | V | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -88.7 | -32.6 | 172.8 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | L253 I340 F344 M383 P384 P385 I390 M391 | L253-V387 HydrophobicContact CD1-CG2 3.82Å; I340-V387 HydrophobicContact CD1-CG1 4.22Å; F344-V387 HydrophobicContact CD2-CG1 4.45Å; F344-V387 HydrophobicContact CE2-CG1 3.82Å; F344-V387 HydrophobicContact CZ-CG1 4.34Å; M383-V387 HydrophobicContact CG-CB 3.77Å; M383-V387 HydrophobicContact CG-CG1 3.83Å; M383-V387 HydrophobicContact SD-CB 4.31Å; M383-V387 HydrophobicContact SD-CG1 4.01Å; P384-V387 HydrophobicContact CB-CG2 4.34Å; P384-V387 HydrophobicContact CG-CG2 4.4Å; P384-V387 WeakPolarHBondContact O-CA 3.26Å; P384-V387 WeakPolarHBondContact O-CB 3.43Å; P384-V387 PolarHBondContact O-N 3.24Å; P385-V387 PolarHBondContact O-N 3.01Å; V387-I390 PolarHBondContact O-N 3.32Å; V387-M391 WeakPolarHBondContact O-CB 3.42Å; V387-M391 PolarHBondContact O-N 3.33Å |
| 388 | Q | 96.5 | Very high | 94.7 | Very high | 54 Ų | 54 | 60.5 Ų | 60.5 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 170.4 | -50.6 | -176.5 | 4.8 | 0 | 0 | 110 | A379 M383 P384 P385 I390 M391 H392 | A379-Q388 HydrophobicContact CB-CB 4.11Å; A379-Q388 HydrophobicContact CB-CG 3.76Å; M383-Q388 HydrophobicContact CB-CG 4.07Å; M383-Q388 HydrophobicContact CG-CG 3.77Å; M383-Q388 PolarHBondContact O-NE2 3.21Å; M383-Q388 HydrophobicContact SD-CB 4.24Å; M383-Q388 HydrophobicContact SD-CG 3.8Å; P384-Q388 PolarHBondContact O-N 2.81Å; P385-Q388 WeakPolarHBondContact O-CA 3.11Å; P385-Q388 WeakPolarHBondContact O-CB 3.41Å; P385-Q388 PolarHBondContact O-N 3.44Å; Q388-I390 VanDerWaalsContact C-N 3.28Å; Q388-I390 PolarHBondContact O-N 2.92Å; Q388-M391 WeakPolarHBondContact O-CB 3.41Å; Q388-M391 PolarHBondContact O-N 3.34Å; Q388-M391 VanDerWaalsContact O-N 3.09Å; Q388-H392 PolarHBondContact O-CD2 3.34Å; Q388-H392 PolarHBondContact O-N 3.49Å |
| 389 | D | 95.8 | Very high | 94.9 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54 | -43.6 | 174.9 | -66.8 | -31 | 0 | 0 | 0 | 112.2 | P385 K393 | P385-D389 PolarHBondContact O-N 3.49Å; D389-K393 WeakPolarHBondContact O-CB 3.32Å; D389-K393 WeakPolarHBondContact O-CD 3.3Å; D389-K393 WeakPolarHBondContact O-CG 3.28Å; D389-K393 PolarHBondContact O-N 2.96Å; D389-K393 VanDerWaalsContact O-N 3.13Å |
| 390 | I | 97.1 | Very high | 95 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 178 | -68.6 | 167 | 0 | 0 | 0 | 110.3 | Y336 I340 P386 V387 Q388 K393 C394 I408 L412 | Y336-I390 HydrophobicContact CE1-CG2 4.35Å; I340-I390 HydrophobicContact CD1-CG2 4.43Å; P386-I390 WeakPolarHBondContact O-CD1 3.39Å; P386-I390 VanDerWaalsContact O-CG1 3.22Å; P386-I390 WeakPolarHBondContact O-CG1 3.43Å; V387-I390 PolarHBondContact O-N 3.32Å; Q388-I390 VanDerWaalsContact C-N 3.28Å; Q388-I390 PolarHBondContact O-N 2.92Å; I390-K393 PolarHBondContact O-N 2.87Å; I390-C394 PolarHBondContact O-N 2.7Å; I390-C394 PolarHBondContact O-SG 3.29Å; I390-I408 HydrophobicContact CG2-CG1 4.47Å; I390-I408 HydrophobicContact CG2-CG2 4.08Å; I390-L412 HydrophobicContact CD1-CD2 3.63Å; I390-L412 HydrophobicContact CD1-CG 3.85Å |
| 391 | M | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.7 | -49.6 | 179 | -173.1 | -171.8 | 69.4 | 0 | 0 | 111.8 | I340 W341 A379 M383 V387 Q388 C394 W395 | I340-M391 HydrophobicContact CD1-CB 3.82Å; I340-M391 HydrophobicContact CD1-CG 4.27Å; I340-M391 HydrophobicContact CG1-CB 4.3Å; I340-M391 HydrophobicContact CG1-CG 4.2Å; W341-M391 HydrophobicContact CB-SD 3.89Å; W341-M391 HydrophobicContact CG-SD 4.25Å; A379-M391 HydrophobicContact CB-CE 3.75Å; M383-M391 HydrophobicContact CE-SD 3.63Å; M383-M391 HydrophobicContact SD-CB 4.31Å; M383-M391 HydrophobicContact SD-CE 4.33Å; M383-M391 HydrophobicContact SD-SD 3.95Å; V387-M391 WeakPolarHBondContact O-CB 3.42Å; V387-M391 PolarHBondContact O-N 3.33Å; Q388-M391 WeakPolarHBondContact O-CB 3.41Å; Q388-M391 PolarHBondContact O-N 3.34Å; Q388-M391 VanDerWaalsContact O-N 3.09Å; M391-C394 WeakPolarHBondContact O-CB 3.47Å; M391-C394 PolarHBondContact O-N 3.04Å; M391-W395 HydrophobicContact CE-CH2 3.8Å; M391-W395 HydrophobicContact CE-CZ3 3.64Å; M391-W395 HydrophobicContact CG-CE3 4.32Å; M391-W395 HydrophobicContact CG-CH2 3.54Å; M391-W395 HydrophobicContact CG-CZ2 3.74Å; M391-W395 HydrophobicContact CG-CZ3 3.86Å; M391-W395 HydrophobicContact SD-CH2 3.44Å; M391-W395 WeakPolarHBondContact SD-CH2 3.4Å; M391-W395 HydrophobicContact SD-CZ2 4.11Å; M391-W395 HydrophobicContact SD-CZ3 3.92Å |
| 392 | H | 96.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 53.4 Ų | 53.4 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 179.9 | -68.3 | -62.1 | 0 | 0 | 0 | 111.9 | Q388 C394 W395 | Q388-H392 PolarHBondContact O-CD2 3.34Å; Q388-H392 PolarHBondContact O-N 3.49Å; H392-C394 VanDerWaalsContact C-N 3.27Å; H392-C394 PolarHBondContact O-N 3.44Å; H392-W395 CarbonylContact O-C 3.6Å; H392-W395 WeakPolarHBondContact O-CA 3.43Å; H392-W395 PolarHBondContact O-N 2.97Å |
| 393 | K | 97.5 | Very high | 96.3 | Very high | 113 Ų | 113 | 50.4 Ų | 50.4 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.8 | -28 | 173.5 | -73.4 | 169 | -175.3 | 166 | 0 | 113.6 | D389 I390 W395 R402 P403 | D389-K393 WeakPolarHBondContact O-CB 3.32Å; D389-K393 WeakPolarHBondContact O-CD 3.3Å; D389-K393 WeakPolarHBondContact O-CG 3.28Å; D389-K393 PolarHBondContact O-N 2.96Å; D389-K393 VanDerWaalsContact O-N 3.13Å; I390-K393 PolarHBondContact O-N 2.87Å; K393-W395 PolarHBondContact O-N 2.86Å; K393-R402 WeakPolarHBondContact O-CA 3.38Å; K393-P403 HydrophobicContact CB-CG 4.48Å; K393-P403 WeakPolarHBondContact O-CD 3.11Å |
| 394 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.9 | -19.2 | 171.4 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | V333 W334 I390 M391 H392 | V333-C394 HydrophobicContact CG1-CB 4.06Å; V333-C394 WeakPolarHBondContact O-CB 3.32Å; W334-C394 WeakPolarHBondContact CA-O 3.24Å; I390-C394 PolarHBondContact O-N 2.7Å; I390-C394 PolarHBondContact O-SG 3.29Å; M391-C394 WeakPolarHBondContact O-CB 3.47Å; M391-C394 PolarHBondContact O-N 3.04Å; H392-C394 VanDerWaalsContact C-N 3.27Å; H392-C394 PolarHBondContact O-N 3.44Å |
| 395 | W | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 22.7 | -178.4 | -53.8 | -35.5 | 0 | 0 | 0 | 114.4 | W334 G337 I338 W341 R376 M377 M391 H392 K393 | W334-W395 HydrophobicContact CD2-CB 4.42Å; W334-W395 AromaticContact CD2-CD1 3.6Å; W334-W395 HydrophobicContact CD2-CG 4.32Å; W334-W395 AromaticContact CE2-CD1 3.84Å; W334-W395 VanDerWaalsContact CE3-CA 3.49Å; W334-W395 HydrophobicContact CE3-CB 3.94Å; W334-W395 AromaticContact CE3-CD1 3.96Å; W334-W395 HydrophobicContact CE3-CG 4.32Å; W334-W395 AromaticContact CG-CD1 3.88Å; W334-W395 HydrophobicContact CH2-CB 4.15Å; W334-W395 HydrophobicContact CZ3-CB 3.81Å; W334-W395 HydrophobicContact CZ3-CG 4.48Å; W334-W395 WeakPolarHBondContact CZ3-O 3.31Å; W334-W395 PolarHBondContact O-NE1 3.42Å; G337-W395 WeakPolarHBondContact O-CZ2 3.39Å; I338-W395 HydrophobicContact CD1-CZ2 3.72Å; I338-W395 HydrophobicContact CG1-CZ2 4.45Å; W341-W395 HydrophobicContact CB-CH2 4.19Å; W341-W395 HydrophobicContact CB-CZ2 4.24Å; W341-W395 HydrophobicContact CG-CH2 4.31Å; R376-W395 HydrophobicContact CB-CE3 4.04Å; R376-W395 HydrophobicContact CB-CZ3 4.33Å; R376-W395 HydrophobicContact CG-CE3 4.36Å; R376-W395 VanDerWaalsContact CZ-O 3.27Å; R376-W395 PolarHBondContact NE-O 3.12Å; R376-W395 PolarHBondContact NH2-O 3.13Å; M377-W395 HydrophobicContact CB-CH2 4.21Å; M377-W395 HydrophobicContact CB-CZ3 4.43Å; M377-W395 HydrophobicContact CE-CH2 3.76Å; M377-W395 HydrophobicContact CE-CZ2 3.77Å; M391-W395 HydrophobicContact CE-CH2 3.8Å; M391-W395 HydrophobicContact CE-CZ3 3.64Å; M391-W395 HydrophobicContact CG-CE3 4.32Å; M391-W395 HydrophobicContact CG-CH2 3.54Å; M391-W395 HydrophobicContact CG-CZ2 3.74Å; M391-W395 HydrophobicContact CG-CZ3 3.86Å; M391-W395 HydrophobicContact SD-CH2 3.44Å; M391-W395 WeakPolarHBondContact SD-CH2 3.4Å; M391-W395 HydrophobicContact SD-CZ2 4.11Å; M391-W395 HydrophobicContact SD-CZ3 3.92Å; H392-W395 CarbonylContact O-C 3.6Å; H392-W395 WeakPolarHBondContact O-CA 3.43Å; H392-W395 PolarHBondContact O-N 2.97Å; K393-W395 PolarHBondContact O-N 2.86Å |
| 396 | E | 97.4 | Very high | 96.9 | Very high | 72 Ų | 72 | 52.6 Ų | 52.6 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | trans | -55.9 | 141.5 | 172.1 | -70.4 | -60.4 | 165.4 | 0 | 0 | 110.8 | K398 D401 R402 | E396-K398 VanDerWaalsContact C-N 3.25Å; E396-K398 PolarHBondContact O-N 3.02Å; E396-D401 HydrophobicContact CB-CB 3.89Å; E396-D401 HydrophobicContact CG-CB 4.07Å; E396-R402 HydrophobicContact CB-CG 3.98Å; E396-R402 PolarHBondContact O-NE 2.91Å; E396-R402 PolarHBondContact O-NH2 2.89Å | ||
| 397 | P | 94.6 | Very high | 97.1 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -58.2 | -38.1 | -176.9 | -24.9 | 34.3 | 0 | 0 | 0 | 112.8 | R402 | P397-R402 PolarHBondContact O-NH2 2.87Š|
| 398 | K | 95.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 55.1 Ų | 55.1 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -90.8 | 136.5 | 179.1 | -63.1 | -172.1 | -177.5 | 178.2 | 0 | 111.9 | E396 E400 D401 | E396-K398 VanDerWaalsContact C-N 3.25Å; E396-K398 PolarHBondContact O-N 3.02Å; K398-E400 VanDerWaalsContact C-N 3.28Å; K398-E400 HydrophobicContact CB-CG 4.17Å; K398-E400 HydrophobicContact CD-CG 4.45Å; K398-E400 WeakPolarHBondContact CD-OE1 3.41Å; K398-E400 PolarHBondContact O-N 3.28Å; K398-D401 HydrophobicContact CB-CB 4.44Å; K398-D401 WeakPolarHBondContact CB-OD2 3.21Å; K398-D401 WeakPolarHBondContact CD-OD2 3.44Å; K398-D401 PolarHBondContact O-N 2.85Å |
| 399 | P | 96.5 | Very high | 97.3 | Very high | 38 Ų | 38 | 55 Ų | 55 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.7 | 175.7 | -27.6 | 36.8 | 0 | 0 | 0 | 114.7 | D320 K330 | D320-P399 HydrophobicContact CB-CG 4.38Å; K330-P399 HydrophobicContact CB-CB 3.78Å; K330-P399 WeakPolarHBondContact CD-O 3.29Å; K330-P399 WeakPolarHBondContact CE-O 3.33Å; K330-P399 HydrophobicContact CG-CB 4.18Å; K330-P399 VanDerWaalsContact CG-O 3.24Å; K330-P399 WeakPolarHBondContact CG-O 3.48Å |
| 400 | E | 96.5 | Very high | 97.3 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -37.4 | -178.8 | 56.3 | -91.3 | -144 | 0 | 0 | 113.5 | K398 R402 | K398-E400 VanDerWaalsContact C-N 3.28Å; K398-E400 HydrophobicContact CB-CG 4.17Å; K398-E400 HydrophobicContact CD-CG 4.45Å; K398-E400 WeakPolarHBondContact CD-OE1 3.41Å; K398-E400 PolarHBondContact O-N 3.28Å; E400-R402 VanDerWaalsContact C-N 3.33Å; E400-R402 PolarHBondContact O-N 2.88Å |
| 401 | D | 97.6 | Very high | 97.2 | Very high | 96 Ų | 96 | 55.5 Ų | 55.5 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -22.3 | -177.9 | -65.2 | -34.5 | 0 | 0 | 0 | 112.6 | E396 K398 | E396-D401 HydrophobicContact CB-CB 3.89Å; E396-D401 HydrophobicContact CG-CB 4.07Å; K398-D401 HydrophobicContact CB-CB 4.44Å; K398-D401 WeakPolarHBondContact CB-OD2 3.21Å; K398-D401 WeakPolarHBondContact CD-OD2 3.44Å; K398-D401 PolarHBondContact O-N 2.85Å |
| 402 | R | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -62 | 145.5 | 171.7 | -61.7 | 173.1 | -163.4 | 147.1 | 13.4 | 109.9 | D320 K330 V333 K393 E396 P397 E400 | D320-R402 IonicContact OD1-CZ 2.86Å; D320-R402 VanDerWaalsContact OD1-CZ 3.28Å; D320-R402 IonicContact OD1-NH1 2.88Å; D320-R402 PolarHBondContact OD1-NH1 3.47Å; D320-R402 IonicContact OD1-NH2 3.15Å; D320-R402 PolarHBondContact OD1-NH2 3.01Å; D320-R402 IonicContact OD2-NH1 3.28Å; K330-R402 HydrophobicContact CD-CB 4.41Å; K330-R402 PolarHBondContact NZ-O 3.17Å; K330-R402 WeakPolarHBondContact O-CD 3.29Å; K330-R402 PolarHBondContact O-NH1 2.88Å; K330-R402 VanDerWaalsContact O-NH1 3.13Å; V333-R402 HydrophobicContact CG1-CB 3.99Å; K393-R402 WeakPolarHBondContact O-CA 3.38Å; E396-R402 HydrophobicContact CB-CG 3.98Å; E396-R402 PolarHBondContact O-NE 2.91Å; E396-R402 PolarHBondContact O-NH2 2.89Å; P397-R402 PolarHBondContact O-NH2 2.87Å; E400-R402 VanDerWaalsContact C-N 3.33Å; E400-R402 PolarHBondContact O-N 2.88Å |
| 403 | P | 98.3 | Very high | 96.7 | Very high | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 171.7 | 176.2 | 28.4 | -34.8 | 0 | 0 | 0 | 112.4 | K330 V333 K393 Q407 I408 | K330-P403 PolarHBondContact NZ-O 2.8Å; V333-P403 HydrophobicContact CG1-CG 4.23Å; K393-P403 HydrophobicContact CB-CG 4.48Å; K393-P403 WeakPolarHBondContact O-CD 3.11Å; P403-Q407 HydrophobicContact CB-CB 4.07Å; P403-I408 HydrophobicContact CB-CG1 4.02Å; P403-I408 HydrophobicContact CG-CD1 4.02Å; P403-I408 HydrophobicContact CG-CG1 3.7Å |
| 404 | S | 98.3 | Very high | 96.4 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 160.8 | 161 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | E329 K406 Q407 I408 | E329-S404 VanDerWaalsContact OE1-CA 3.31Å; E329-S404 WeakPolarHBondContact OE1-CA 3.46Å; E329-S404 WeakPolarHBondContact OE1-CB 3.13Å; S404-K406 PolarHBondContact O-N 2.85Å; S404-Q407 WeakPolarHBondContact O-CB 3.29Å; S404-Q407 PolarHBondContact O-N 2.67Å; S404-Q407 WeakPolarHBondContact OG-CG 3.38Å; S404-Q407 PolarHBondContact OG-N 3.11Å; S404-Q407 PolarHBondContact OG-OE1 2.89Å; S404-I408 WeakPolarHBondContact O-CG1 3.34Å; S404-I408 PolarHBondContact O-N 2.88Å |
| 405 | F | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -30.2 | 177.2 | -75.6 | -67.4 | 0 | 0 | 0 | 113.5 | M263 E264 A267 L276 E329 D332 V333 Y336 I408 R409 | M263-F405 HydrophobicContact CB-CB 4.44Å; M263-F405 HydrophobicContact CB-CD1 3.4Å; M263-F405 VanDerWaalsContact CB-CD1 3.4Å; M263-F405 HydrophobicContact CB-CD2 3.77Å; M263-F405 HydrophobicContact CB-CE1 3.39Å; M263-F405 HydrophobicContact CB-CE2 3.76Å; M263-F405 HydrophobicContact CB-CG 3.6Å; M263-F405 HydrophobicContact CB-CZ 3.57Å; M263-F405 HydrophobicContact CE-CE2 3.83Å; M263-F405 HydrophobicContact CE-CZ 3.82Å; M263-F405 HydrophobicContact CG-CD1 4.34Å; M263-F405 HydrophobicContact CG-CE1 3.87Å; M263-F405 HydrophobicContact CG-CE2 4.47Å; M263-F405 HydrophobicContact CG-CZ 3.94Å; E264-F405 HydrophobicContact CB-CB 3.87Å; A267-F405 HydrophobicContact CB-CD2 4.35Å; L276-F405 HydrophobicContact CD2-CZ 4.45Å; E329-F405 HydrophobicContact CG-CD2 3.64Å; E329-F405 HydrophobicContact CG-CE2 3.84Å; E329-F405 WeakPolarHBondContact OE1-CD2 3.18Å; E329-F405 PolarHBondContact OE1-N 2.87Å; D332-F405 HydrophobicContact CB-CE2 3.95Å; D332-F405 HydrophobicContact CB-CZ 4.02Å; V333-F405 HydrophobicContact CB-CZ 4.41Å; V333-F405 HydrophobicContact CG2-CD1 4.41Å; V333-F405 HydrophobicContact CG2-CD2 3.98Å; V333-F405 HydrophobicContact CG2-CE1 4.1Å; V333-F405 HydrophobicContact CG2-CE2 3.64Å; V333-F405 HydrophobicContact CG2-CG 4.36Å; V333-F405 HydrophobicContact CG2-CZ 3.7Å; Y336-F405 HydrophobicContact CD2-CE1 4.02Å; Y336-F405 AromaticContact CG-CE1 3.86Å; Y336-F405 HydrophobicContact CG-CE1 3.86Å; F405-I408 HydrophobicContact CD1-CD1 3.91Å; F405-I408 HydrophobicContact CE1-CD1 4.19Å; F405-I408 PolarHBondContact O-N 2.7Å; F405-R409 PolarHBondContact O-N 3.38Å |
| 406 | K | 97.6 | Very high | 94.7 | Very high | 136 Ų | 136 | 56.3 Ų | 56.3 | 59% | 0.591 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 170.8 | -179.6 | 172.8 | -179.8 | -178 | 0 | 112.2 | E264 S404 R409 S410 | E264-K406 HydrophobicContact CG-CB 4.25Å; E264-K406 WeakPolarHBondContact OE1-CA 3.46Å; E264-K406 WeakPolarHBondContact OE1-CB 3.46Å; E264-K406 WeakPolarHBondContact OE1-CG 3.45Å; S404-K406 PolarHBondContact O-N 2.85Å; K406-R409 PolarHBondContact O-N 3.36Å; K406-S410 PolarHBondContact O-N 2.83Å; K406-S410 VanDerWaalsContact O-N 3.12Å; K406-S410 PolarHBondContact O-OG 2.83Å |
| 407 | Q | 98 | Very high | 93.2 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 51% | 0.509 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 176.2 | -73 | 162.8 | -51.6 | 0 | 0 | 111.3 | P403 S404 R409 S410 S411 | P403-Q407 HydrophobicContact CB-CB 4.07Å; S404-Q407 WeakPolarHBondContact O-CB 3.29Å; S404-Q407 PolarHBondContact O-N 2.67Å; S404-Q407 WeakPolarHBondContact OG-CG 3.38Å; S404-Q407 PolarHBondContact OG-N 3.11Å; S404-Q407 PolarHBondContact OG-OE1 2.89Å; Q407-R409 PolarHBondContact O-N 2.84Å; Q407-S410 PolarHBondContact O-N 3.13Å; Q407-S411 PolarHBondContact O-N 2.98Å; Q407-S411 PolarHBondContact O-OG 3.16Å; Q407-S411 VanDerWaalsContact O-OG 3.13Å |
| 408 | I | 98.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.3 | -50.8 | 174.9 | -67.1 | 170 | 0 | 0 | 0 | 110.7 | A260 V333 Y336 I390 P403 S404 F405 S410 S411 L412 | A260-I408 HydrophobicContact CB-CG2 3.82Å; V333-I408 HydrophobicContact CG1-CD1 4.12Å; V333-I408 HydrophobicContact CG2-CD1 4.2Å; Y336-I408 HydrophobicContact CD1-CD1 3.99Å; Y336-I408 HydrophobicContact CD1-CG2 4.33Å; Y336-I408 HydrophobicContact CE1-CD1 4.26Å; Y336-I408 HydrophobicContact CE1-CG2 3.58Å; I390-I408 HydrophobicContact CG2-CG1 4.47Å; I390-I408 HydrophobicContact CG2-CG2 4.08Å; P403-I408 HydrophobicContact CB-CG1 4.02Å; P403-I408 HydrophobicContact CG-CD1 4.02Å; P403-I408 HydrophobicContact CG-CG1 3.7Å; S404-I408 WeakPolarHBondContact O-CG1 3.34Å; S404-I408 PolarHBondContact O-N 2.88Å; F405-I408 HydrophobicContact CD1-CD1 3.91Å; F405-I408 HydrophobicContact CE1-CD1 4.19Å; F405-I408 PolarHBondContact O-N 2.7Å; I408-S410 PolarHBondContact O-N 2.84Å; I408-S411 PolarHBondContact O-N 2.82Å; I408-L412 HydrophobicContact CG2-CD1 3.82Å; I408-L412 HydrophobicContact CG2-CG 4.47Å; I408-L412 VanDerWaalsContact O-CG 3.28Å; I408-L412 WeakPolarHBondContact O-CG 3.3Å; I408-L412 PolarHBondContact O-N 2.83Å |
| 409 | R | 96.8 | Very high | 89.4 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 179.3 | -177.6 | -177.7 | 55.8 | 70.9 | 7 | 111.6 | R257 A260 C261 E264 F405 K406 Q407 S411 L412 E413 | R257-R409 HydrophobicContact CG-CG 4.46Å; A260-R409 HydrophobicContact CB-CB 4.47Å; C261-R409 WeakPolarHBondContact SG-CD 3.17Å; E264-R409 IonicContact OE1-CZ 2.67Å; E264-R409 IonicContact OE1-NE 2.72Å; E264-R409 IonicContact OE1-NH2 3.11Å; E264-R409 PolarHBondContact OE1-NH2 3.28Å; E264-R409 VanDerWaalsContact OE1-NH2 3.15Å; E264-R409 WeakPolarHBondContact OE2-CD 3.19Å; E264-R409 IonicContact OE2-CZ 3.58Å; E264-R409 IonicContact OE2-NE 2.7Å; E264-R409 PolarHBondContact OE2-NE 2.76Å; E264-R409 IonicContact OE2-NH2 3.29Å; F405-R409 PolarHBondContact O-N 3.38Å; K406-R409 PolarHBondContact O-N 3.36Å; Q407-R409 PolarHBondContact O-N 2.84Å; R409-S411 VanDerWaalsContact C-N 3.35Å; R409-S411 PolarHBondContact O-N 2.78Å; R409-L412 PolarHBondContact O-N 3.07Å; R409-E413 WeakPolarHBondContact CD-OE1 3.01Å; R409-E413 HydrophobicContact CG-CG 4.49Å; R409-E413 VanDerWaalsContact CG-OE1 3.29Å; R409-E413 WeakPolarHBondContact CG-OE1 3.25Å; R409-E413 IonicContact CZ-OE1 3.76Å; R409-E413 IonicContact NE-OE1 2.74Å; R409-E413 IonicContact NH1-OE1 2.89Å; R409-E413 PolarHBondContact NH1-OE1 3.4Å; R409-E413 IonicContact NH1-OE2 3.71Å; R409-E413 PolarHBondContact NH1-OE2 2.82Å; R409-E413 WeakPolarHBondContact O-CG 3.47Å; R409-E413 PolarHBondContact O-N 3.16Å |
| 410 | S | 95.5 | Very high | 87.2 | Confident | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 178.8 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | K406 Q407 I408 L412 E413 T414 | K406-S410 PolarHBondContact O-N 2.83Å; K406-S410 VanDerWaalsContact O-N 3.12Å; K406-S410 PolarHBondContact O-OG 2.83Å; Q407-S410 PolarHBondContact O-N 3.13Å; I408-S410 PolarHBondContact O-N 2.84Å; S410-L412 VanDerWaalsContact C-N 3.34Å; S410-L412 PolarHBondContact O-N 3.28Å; S410-E413 PolarHBondContact O-N 2.87Å; S410-T414 PolarHBondContact O-N 3.13Å; S410-T414 PolarHBondContact O-OG1 3.31Å; S410-T414 VanDerWaalsContact O-OG1 3.14Å |
| 411 | S | 95.2 | Very high | 84.8 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | Q407 I408 R409 T414 A415 | Q407-S411 PolarHBondContact O-N 2.98Å; Q407-S411 PolarHBondContact O-OG 3.16Å; Q407-S411 VanDerWaalsContact O-OG 3.13Å; I408-S411 PolarHBondContact O-N 2.82Å; R409-S411 VanDerWaalsContact C-N 3.35Å; R409-S411 PolarHBondContact O-N 2.78Å; S411-T414 PolarHBondContact O-N 3.42Å; S411-A415 WeakPolarHBondContact O-CB 3.36Å; S411-A415 PolarHBondContact O-N 2.96Å |
| 412 | L | 94.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.4 | -34.2 | 174.5 | -65 | 164.6 | 0 | 0 | 0 | 112.5 | L253 C256 R257 A260 Y336 I390 I408 R409 S410 S416 | L253-L412 HydrophobicContact CD1-CD2 3.76Å; C256-L412 HydrophobicContact CB-CD1 4.2Å; C256-L412 HydrophobicContact CB-CD2 4.08Å; R257-L412 HydrophobicContact CB-CB 4.43Å; R257-L412 HydrophobicContact CB-CD1 4.37Å; A260-L412 HydrophobicContact CB-CD1 3.9Å; Y336-L412 WeakPolarHBondContact OH-CD1 3.18Å; I390-L412 HydrophobicContact CD1-CD2 3.63Å; I390-L412 HydrophobicContact CD1-CG 3.85Å; I408-L412 HydrophobicContact CG2-CD1 3.82Å; I408-L412 HydrophobicContact CG2-CG 4.47Å; I408-L412 VanDerWaalsContact O-CG 3.28Å; I408-L412 WeakPolarHBondContact O-CG 3.3Å; I408-L412 PolarHBondContact O-N 2.83Å; R409-L412 PolarHBondContact O-N 3.07Å; S410-L412 VanDerWaalsContact C-N 3.34Å; S410-L412 PolarHBondContact O-N 3.28Å; L412-S416 WeakPolarHBondContact O-CB 3.42Å; L412-S416 PolarHBondContact O-N 2.88Å; L412-S416 PolarHBondContact O-OG 2.91Å |
| 413 | E | 90.8 | Very high | 79.8 | Confident | 66 Ų | 66 | 73.7 Ų | 73.7 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 175 | -72.5 | 165.7 | 179.4 | 0 | 0 | 111.5 | R409 S410 S416 S417 | R409-E413 WeakPolarHBondContact CD-OE1 3.01Å; R409-E413 HydrophobicContact CG-CG 4.49Å; R409-E413 VanDerWaalsContact CG-OE1 3.29Å; R409-E413 WeakPolarHBondContact CG-OE1 3.25Å; R409-E413 IonicContact CZ-OE1 3.76Å; R409-E413 IonicContact NE-OE1 2.74Å; R409-E413 IonicContact NH1-OE1 2.89Å; R409-E413 PolarHBondContact NH1-OE1 3.4Å; R409-E413 IonicContact NH1-OE2 3.71Å; R409-E413 PolarHBondContact NH1-OE2 2.82Å; R409-E413 WeakPolarHBondContact O-CG 3.47Å; R409-E413 PolarHBondContact O-N 3.16Å; S410-E413 PolarHBondContact O-N 2.87Å; E413-S416 PolarHBondContact O-N 2.91Å; E413-S417 PolarHBondContact O-N 3.46Å; E413-S417 PolarHBondContact O-OG 3.33Å |
| 414 | T | 89.6 | Confident | 77.3 | Confident | 94 Ų | 94 | 80 Ų | 80 | 58% | 0.577 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.4 | -48.9 | 170.3 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | S410 S411 S416 S417 S418 | S410-T414 PolarHBondContact O-N 3.13Å; S410-T414 PolarHBondContact O-OG1 3.31Å; S410-T414 VanDerWaalsContact O-OG1 3.14Å; S411-T414 PolarHBondContact O-N 3.42Å; T414-S416 VanDerWaalsContact C-N 3.26Å; T414-S416 PolarHBondContact O-N 2.67Å; T414-S417 WeakPolarHBondContact O-CB 3.44Å; T414-S417 PolarHBondContact O-N 3.14Å; T414-S418 PolarHBondContact O-N 3.26Å |
| 415 | A | 83.4 | Confident | 74.5 | Confident | 15 Ų | 15 | 86.8 Ų | 86.8 | 12% | 0.124 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.1 | -32.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P386 S411 S417 | P386-A415 HydrophobicContact CB-CB 3.67Å; P386-A415 HydrophobicContact CG-CB 4.44Å; S411-A415 WeakPolarHBondContact O-CB 3.36Å; S411-A415 PolarHBondContact O-N 2.96Å; A415-S417 VanDerWaalsContact C-N 3.27Å; A415-S417 PolarHBondContact O-N 3.49Å |
| 416 | S | 77.1 | Confident | 71.4 | Confident | 34 Ų | 34 | 93 Ų | 93 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.4 | -22.2 | 173.6 | -57 | 0 | 0 | 0 | 0 | 113.1 | L412 E413 T414 | L412-S416 WeakPolarHBondContact O-CB 3.42Å; L412-S416 PolarHBondContact O-N 2.88Å; L412-S416 PolarHBondContact O-OG 2.91Å; E413-S416 PolarHBondContact O-N 2.91Å; T414-S416 VanDerWaalsContact C-N 3.26Å; T414-S416 PolarHBondContact O-N 2.67Å |
| 417 | S | 66.3 | Low | 68.5 | Low | 70 Ų | 70 | 93.1 Ų | 93.1 | 49% | 0.49 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -91.9 | -35.6 | -170.7 | -61.3 | 0 | 0 | 0 | 0 | 113.6 | E413 T414 A415 K419 R420 | E413-S417 PolarHBondContact O-N 3.46Å; E413-S417 PolarHBondContact O-OG 3.33Å; T414-S417 WeakPolarHBondContact O-CB 3.44Å; T414-S417 PolarHBondContact O-N 3.14Å; A415-S417 VanDerWaalsContact C-N 3.27Å; A415-S417 PolarHBondContact O-N 3.49Å; S417-K419 VanDerWaalsContact C-N 3.31Å; S417-K419 PolarHBondContact O-N 3.08Å; S417-R420 PolarHBondContact O-N 3.17Å; S417-R420 VanDerWaalsContact O-N 3.07Å |
| 418 | S | 57.6 | Low | 65.3 | Low | 60 Ų | 60 | 92.4 Ų | 92.4 | 42% | 0.42 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.9 | -42.4 | -174.9 | -52.9 | 0 | 0 | 0 | 0 | 113.3 | T414 R420 R421 | T414-S418 PolarHBondContact O-N 3.26Å; S418-R420 PolarHBondContact O-N 3.42Å; S418-R421 PolarHBondContact O-N 3.45Å |
| 419 | K | 52.9 | Low | 62.1 | Low | 76 Ų | 76 | 98.4 Ų | 98.4 | 33% | 0.33 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -3.8 | 177.8 | -71.1 | 177.8 | 174 | 165.5 | 0 | 115.9 | E250 S417 R423 | E250-K419 IonicContact OE2-NZ 3.21Å; E250-K419 PolarHBondContact OE2-NZ 3.03Å; S417-K419 VanDerWaalsContact C-N 3.31Å; S417-K419 PolarHBondContact O-N 3.08Å; K419-R423 PolarHBondContact O-NE 3Å; K419-R423 PolarHBondContact O-NH2 3.42Å |
| 420 | R | 49.4 | Very low | 59.2 | Low | 197 Ų | 197 | 104.5 Ų | 104.5 | 74% | 0.743 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -26.4 | 171.7 | -60.7 | -175.4 | 94.5 | 171.5 | 3.5 | 112.9 | S417 S418 | S417-R420 PolarHBondContact O-N 3.17Å; S417-R420 VanDerWaalsContact O-N 3.07Å; S418-R420 PolarHBondContact O-N 3.42Å |
| 421 | R | 46.5 | Very low | 56.2 | Low | 188 Ų | 188 | 110.1 Ų | 110.1 | 71% | 0.709 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -43.3 | -177.1 | -68.3 | -177.2 | 174.4 | 168.4 | -1.6 | 112.4 | S418 R423 H424 | S418-R421 PolarHBondContact O-N 3.45Å; R421-R423 PolarHBondContact O-N 2.72Å; R421-H424 PolarHBondContact O-N 2.93Å; R421-H424 VanDerWaalsContact O-N 3.08Å |
| 422 | D | 48.7 | Very low | 53.3 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -61.5 | -17.8 | -176.3 | -46.2 | -41.4 | 0 | 0 | 0 | 113.9 | H424 | D422-H424 VanDerWaalsContact C-N 3.32Å; D422-H424 PolarHBondContact O-N 2.74Å |
| 423 | R | 42.9 | Very low | 50.2 | Low | 183 Ų | 183 | 122.1 Ų | 122.1 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -83.8 | 3 | 178.2 | -87 | -179 | -78.6 | -174.5 | -5.2 | 115.2 | K419 R421 | K419-R423 PolarHBondContact O-NE 3Å; K419-R423 PolarHBondContact O-NH2 3.42Å; R421-R423 PolarHBondContact O-N 2.72Å |
| 424 | H | 45.1 | Very low | 47.2 | Very low | 151 Ų | 151 | 124 Ų | 124 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -112.1 | 13.3 | 176.8 | -75.4 | -76.5 | 0 | 0 | 0 | 114.3 | R421 D422 | R421-H424 PolarHBondContact O-N 2.93Å; R421-H424 VanDerWaalsContact O-N 3.08Å; D422-H424 VanDerWaalsContact C-N 3.32Å; D422-H424 PolarHBondContact O-N 2.74Å |
| 425 | H | 39.8 | Very low | 44.2 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 78% | 0.778 | 66% | 0.663 | S | S | * | * | trans | -118.4 | 49.8 | -178.7 | -72 | -30.4 | 0 | 0 | 0 | 114.3 | ||||
| 426 | T | 33.5 | Very low | 41.5 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 70% | 0.7 | S | S | * | * | trans | -138.1 | 48.1 | 171.4 | 60.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 427 | V | 36 | Very low | 39.1 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 84% | 0.842 | 72% | 0.723 | S | S | * | * | trans | -139.2 | 124.2 | 161.3 | -176.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 428 | A | 31 | Very low | 37.3 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 126.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 429 | P | 32.6 | Very low | 35.8 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 129.8 | 171.6 | 33 | -31.1 | 0 | 0 | 0 | 110.8 | ||
| 430 | Q | 34.6 | Very low | 34.6 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 142.6 | 171 | -71.9 | -176.7 | -17.2 | 0 | 0 | 111.3 | ||
| 431 | H | 32.3 | Very low | 33.4 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | trans | -7.8 | 133.1 | 169.1 | -53.7 | -87.6 | 0 | 0 | 0 | 117.4 | ||||
| 432 | H | 35.6 | Very low | 32.4 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | -155.7 | 169.4 | 80.7 | -104.6 | -89.4 | 0 | 0 | 0 | 114.8 | |||||
| 433 | T | 28 | Very low | 31.3 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 158.3 | -179.1 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 434 | S | 29.3 | Very low | 30.6 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | cis | -163.7 | 152.1 | 40.9 | 51.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 435 | R | 25.3 | Very low | 29.8 | Very low | 224 Ų | 224 | 152.4 Ų | 152.4 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 16.9 | 117.1 | 142.4 | -171.2 | -177.3 | -162.6 | 158.8 | 4.1 | 119.7 | ||||
| 436 | W | 26.9 | Very low | 29.4 | Very low | 239 Ų | 239 | 148 Ų | 148 | 91% | 0.905 | 81% | 0.807 | S | S | * | * | -162.7 | 162.4 | 118.4 | -103.6 | 100.9 | 0 | 0 | 0 | 110.9 | |||||
| 437 | S | 27.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -100.2 | 138.2 | -168.5 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 438 | G | 27.6 | Very low | 29.4 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -149.6 | 159.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 439 | S | 27 | Very low | 29.7 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -92 | 165.1 | -167.3 | 51.8 | 0 | 0 | 0 | 0 | 115.2 | A441 | S439-A441 PolarHBondContact O-N 2.9Š| ||
| 440 | K | 26.8 | Very low | 29.9 | Very low | 217 Ų | 217 | 145 Ų | 145 | 94% | 0.943 | 75% | 0.754 | S | S | * | * | trans | -55.6 | 116.3 | 178.5 | -68.4 | 171.8 | 172.4 | 175.9 | 0 | 113.5 | ||||
| 441 | A | 25.4 | Very low | 30.1 | Very low | 79 Ų | 79 | 139 Ų | 139 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | trans | -160.8 | 164.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S439 | S439-A441 PolarHBondContact O-N 2.9Š| ||
| 442 | D | 25.5 | Very low | 30.3 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | 44.2 | 94.2 | 151.4 | -48.8 | -26.1 | 0 | 0 | 0 | 120 | ||||
| 443 | M | 25.1 | Very low | 30.4 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 90% | 0.901 | 71% | 0.708 | S | S | * | * | trans | -158 | 70.4 | 155.2 | -130 | 168.7 | 64.2 | 0 | 0 | 115.9 | ||||
| 444 | W | 28.1 | Very low | 30.9 | Very low | 262 Ų | 262 | 133.1 Ų | 133.1 | 99% | 0.992 | 70% | 0.701 | S | S | * | * | trans | -132 | 61.5 | 170 | -82.1 | -21.7 | 0 | 0 | 0 | 112.4 | ||||
| 445 | D | 29.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | trans | -145.6 | 17 | -175.5 | -136.6 | -16.6 | 0 | 0 | 0 | 115.3 | ||||
| 446 | A | 30.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -81.3 | -37 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N450 | A446-N450 PolarHBondContact O-N 2.7Å |
| 447 | D | 34.6 | Very low | 32.9 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73 | -40.7 | -172.4 | -84 | -30.7 | 0 | 0 | 0 | 113 | Q449 N450 A451 | D447-Q449 PolarHBondContact O-N 2.69Å; D447-N450 PolarHBondContact O-N 2.78Å; D447-A451 PolarHBondContact O-N 3.23Å; D447-A451 VanDerWaalsContact O-N 3.15Å |
| 448 | E | 36 | Very low | 33.8 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 55% | 0.547 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -71.9 | -32 | -176 | -155.2 | -179.4 | 130.7 | 0 | 0 | 111.8 | K452 | E448-K452 HydrophobicContact CG-CD 4.48Å; E448-K452 WeakPolarHBondContact O-CB 3.41Å; E448-K452 WeakPolarHBondContact O-CD 3.41Å; E448-K452 VanDerWaalsContact O-CG 3.26Å; E448-K452 WeakPolarHBondContact O-CG 3.08Å; E448-K452 PolarHBondContact O-N 2.88Å; E448-K452 WeakPolarHBondContact OE1-CE 3.32Å; E448-K452 IonicContact OE1-NZ 2.7Å; E448-K452 PolarHBondContact OE1-NZ 3.08Å |
| 449 | Q | 36.2 | Very low | 34.7 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 44% | 0.435 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.5 | -35 | 173.6 | -66.6 | -161.6 | 25.4 | 0 | 0 | 112.8 | D447 K452 R453 | D447-Q449 PolarHBondContact O-N 2.69Å; Q449-K452 PolarHBondContact O-N 2.74Å; Q449-R453 WeakPolarHBondContact O-CB 3.08Å; Q449-R453 VanDerWaalsContact O-CG 3.26Å; Q449-R453 WeakPolarHBondContact O-CG 3.22Å; Q449-R453 PolarHBondContact O-N 3.36Å |
| 450 | N | 37 | Very low | 35.5 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.8 | -40.8 | 176.1 | -89.4 | -22.4 | 0 | 0 | 0 | 112.2 | A446 D447 K452 R453 C454 | A446-N450 PolarHBondContact O-N 2.7Å; D447-N450 PolarHBondContact O-N 2.78Å; N450-K452 VanDerWaalsContact C-N 3.32Å; N450-K452 PolarHBondContact O-N 3.37Å; N450-R453 PolarHBondContact O-N 3.4Å; N450-C454 PolarHBondContact O-N 2.92Å |
| 451 | A | 38.8 | Very low | 36.1 | Very low | 54 Ų | 54 | 121.6 Ų | 121.6 | 45% | 0.446 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -57.2 | -46.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D447 R453 C454 I455 | D447-A451 PolarHBondContact O-N 3.23Å; D447-A451 VanDerWaalsContact O-N 3.15Å; A451-R453 PolarHBondContact O-N 3.43Å; A451-C454 PolarHBondContact O-N 2.93Å; A451-I455 VanDerWaalsContact O-CG1 3.32Å; A451-I455 WeakPolarHBondContact O-CG1 3.18Å; A451-I455 PolarHBondContact O-N 3.43Å |
| 452 | K | 36.2 | Very low | 37 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 46% | 0.461 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.1 | -39.7 | 174.9 | -72.5 | 167.4 | -175.9 | 167.5 | 0 | 112.6 | E448 Q449 N450 I455 W456 | E448-K452 HydrophobicContact CG-CD 4.48Å; E448-K452 WeakPolarHBondContact O-CB 3.41Å; E448-K452 WeakPolarHBondContact O-CD 3.41Å; E448-K452 VanDerWaalsContact O-CG 3.26Å; E448-K452 WeakPolarHBondContact O-CG 3.08Å; E448-K452 PolarHBondContact O-N 2.88Å; E448-K452 WeakPolarHBondContact OE1-CE 3.32Å; E448-K452 IonicContact OE1-NZ 2.7Å; E448-K452 PolarHBondContact OE1-NZ 3.08Å; Q449-K452 PolarHBondContact O-N 2.74Å; N450-K452 VanDerWaalsContact C-N 3.32Å; N450-K452 PolarHBondContact O-N 3.37Å; K452-I455 PolarHBondContact O-N 3.24Å; K452-W456 WeakPolarHBondContact O-CB 3.3Å; K452-W456 VanDerWaalsContact O-CD1 3.32Å; K452-W456 PolarHBondContact O-N 2.76Å |
| 453 | R | 38.5 | Very low | 37.7 | Very low | 154 Ų | 154 | 118.8 Ų | 118.8 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68 | -38.2 | 177.7 | -76.2 | 173.4 | -172.8 | -167.2 | 4.4 | 113.2 | Q449 N450 A451 R457 | Q449-R453 WeakPolarHBondContact O-CB 3.08Å; Q449-R453 VanDerWaalsContact O-CG 3.26Å; Q449-R453 WeakPolarHBondContact O-CG 3.22Å; Q449-R453 PolarHBondContact O-N 3.36Å; N450-R453 PolarHBondContact O-N 3.4Å; A451-R453 PolarHBondContact O-N 3.43Å; R453-R457 PolarHBondContact O-N 2.84Å |
| 454 | C | 38.7 | Very low | 38.4 | Very low | 93 Ų | 93 | 113.3 Ų | 113.3 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.7 | -45 | 172.8 | -76.3 | 0 | 0 | 0 | 0 | 111.6 | N450 A451 R457 F458 | N450-C454 PolarHBondContact O-N 2.92Å; A451-C454 PolarHBondContact O-N 2.93Å; C454-R457 PolarHBondContact O-N 3.04Å; C454-F458 PolarHBondContact O-N 2.89Å |
| 455 | I | 43.8 | Very low | 39 | Very low | 108 Ų | 108 | 106.4 Ų | 106.4 | 55% | 0.554 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -44.6 | 175.7 | -68 | 166.8 | 0 | 0 | 0 | 110.7 | A451 K452 R457 F458 V459 | A451-I455 VanDerWaalsContact O-CG1 3.32Å; A451-I455 WeakPolarHBondContact O-CG1 3.18Å; A451-I455 PolarHBondContact O-N 3.43Å; K452-I455 PolarHBondContact O-N 3.24Å; I455-R457 PolarHBondContact O-N 3.31Å; I455-F458 PolarHBondContact O-N 2.82Å; I455-V459 HydrophobicContact CG2-CG2 4.24Å; I455-V459 WeakPolarHBondContact O-CB 3.03Å; I455-V459 VanDerWaalsContact O-CG2 3.3Å; I455-V459 WeakPolarHBondContact O-CG2 3.32Å; I455-V459 PolarHBondContact O-N 3.21Å |
| 456 | W | 39.5 | Very low | 39.4 | Very low | 167 Ų | 167 | 105.6 Ų | 105.6 | 63% | 0.633 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | 176.8 | -93.8 | 93.9 | 0 | 0 | 0 | 113.2 | K452 L460 | K452-W456 WeakPolarHBondContact O-CB 3.3Å; K452-W456 VanDerWaalsContact O-CD1 3.32Å; K452-W456 PolarHBondContact O-N 2.76Å; W456-L460 HydrophobicContact CE3-CD1 4.21Å; W456-L460 HydrophobicContact CE3-CG 4.16Å; W456-L460 VanDerWaalsContact O-CB 3.25Å; W456-L460 WeakPolarHBondContact O-CB 3.36Å; W456-L460 WeakPolarHBondContact O-CD1 3.25Å; W456-L460 WeakPolarHBondContact O-CG 3.49Å; W456-L460 PolarHBondContact O-N 3.43Å |
| 457 | R | 40.3 | Very low | 39.6 | Very low | 199 Ų | 199 | 105.5 Ų | 105.5 | 75% | 0.751 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 171.8 | -83.6 | -177.3 | 165.7 | 174.2 | -4.9 | 111.7 | R453 C454 I455 V459 L460 T461 | R453-R457 PolarHBondContact O-N 2.84Å; C454-R457 PolarHBondContact O-N 3.04Å; I455-R457 PolarHBondContact O-N 3.31Å; R457-V459 PolarHBondContact O-N 2.95Å; R457-L460 PolarHBondContact O-N 3.43Å; R457-T461 PolarHBondContact O-N 3.36Å; R457-T461 PolarHBondContact O-OG1 3.18Å; R457-T461 VanDerWaalsContact O-OG1 3.13Å |
| 458 | F | 45 | Very low | 39.6 | Very low | 151 Ų | 151 | 103.4 Ų | 103.4 | 66% | 0.662 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 178.8 | -152.3 | -99.7 | 0 | 0 | 0 | 112.2 | C454 I455 T461 L462 | C454-F458 PolarHBondContact O-N 2.89Å; I455-F458 PolarHBondContact O-N 2.82Å; F458-T461 PolarHBondContact O-N 3.37Å; F458-L462 HydrophobicContact CD1-CD1 3.72Å; F458-L462 HydrophobicContact CD1-CG 4.48Å; F458-L462 HydrophobicContact CE1-CD1 3.86Å; F458-L462 WeakPolarHBondContact O-CB 3.49Å; F458-L462 WeakPolarHBondContact O-CG 3.23Å; F458-L462 PolarHBondContact O-N 3.39Å |
| 459 | V | 47 | Very low | 39.6 | Very low | 59 Ų | 59 | 103 Ų | 103 | 36% | 0.358 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 174 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | I455 R457 T461 L462 I463 | I455-V459 HydrophobicContact CG2-CG2 4.24Å; I455-V459 WeakPolarHBondContact O-CB 3.03Å; I455-V459 VanDerWaalsContact O-CG2 3.3Å; I455-V459 WeakPolarHBondContact O-CG2 3.32Å; I455-V459 PolarHBondContact O-N 3.21Å; R457-V459 PolarHBondContact O-N 2.95Å; V459-T461 PolarHBondContact O-N 3.32Å; V459-L462 PolarHBondContact O-N 3.46Å; V459-I463 HydrophobicContact CG1-CD1 3.66Å; V459-I463 HydrophobicContact CG1-CG1 4.36Å; V459-I463 WeakPolarHBondContact O-CB 3.23Å; V459-I463 WeakPolarHBondContact O-CG1 3.46Å; V459-I463 PolarHBondContact O-N 2.74Å |
| 460 | L | 42.8 | Very low | 39.5 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.9 | -35.3 | 176.2 | -75.9 | 166.5 | 0 | 0 | 0 | 112.4 | W456 R457 S464 | W456-L460 HydrophobicContact CE3-CD1 4.21Å; W456-L460 HydrophobicContact CE3-CG 4.16Å; W456-L460 VanDerWaalsContact O-CB 3.25Å; W456-L460 WeakPolarHBondContact O-CB 3.36Å; W456-L460 WeakPolarHBondContact O-CD1 3.25Å; W456-L460 WeakPolarHBondContact O-CG 3.49Å; W456-L460 PolarHBondContact O-N 3.43Å; R457-L460 PolarHBondContact O-N 3.43Å; L460-S464 WeakPolarHBondContact O-CB 3.15Å; L460-S464 PolarHBondContact O-N 2.86Å; L460-S464 PolarHBondContact O-OG 2.85Å |
| 461 | T | 41.2 | Very low | 39 | Very low | 76 Ų | 76 | 106.7 Ų | 106.7 | 47% | 0.466 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.5 | -39.4 | 174.1 | -57 | 0 | 0 | 0 | 0 | 112.3 | R457 F458 V459 S464 I465 | R457-T461 PolarHBondContact O-N 3.36Å; R457-T461 PolarHBondContact O-OG1 3.18Å; R457-T461 VanDerWaalsContact O-OG1 3.13Å; F458-T461 PolarHBondContact O-N 3.37Å; V459-T461 PolarHBondContact O-N 3.32Å; T461-S464 WeakPolarHBondContact CA-OG 3.49Å; T461-S464 PolarHBondContact O-N 2.8Å; T461-S464 PolarHBondContact O-OG 3.02Å; T461-I465 HydrophobicContact CG2-CD1 3.96Å; T461-I465 WeakPolarHBondContact O-CB 3.28Å; T461-I465 VanDerWaalsContact O-CG1 3.29Å; T461-I465 WeakPolarHBondContact O-CG1 3.38Å; T461-I465 PolarHBondContact O-N 2.98Å |
| 462 | L | 42.6 | Very low | 38.6 | Very low | 93 Ų | 93 | 109.9 Ų | 109.9 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.1 | -38.4 | 172.6 | -78.7 | 166.5 | 0 | 0 | 0 | 112.1 | F458 V459 T466 | F458-L462 HydrophobicContact CD1-CD1 3.72Å; F458-L462 HydrophobicContact CD1-CG 4.48Å; F458-L462 HydrophobicContact CE1-CD1 3.86Å; F458-L462 WeakPolarHBondContact O-CB 3.49Å; F458-L462 WeakPolarHBondContact O-CG 3.23Å; F458-L462 PolarHBondContact O-N 3.39Å; V459-L462 PolarHBondContact O-N 3.46Å; L462-T466 PolarHBondContact O-N 3.46Å; L462-T466 VanDerWaalsContact O-N 3.1Å; L462-T466 PolarHBondContact O-OG1 2.84Å |
| 463 | I | 41.7 | Very low | 38.3 | Very low | 82 Ų | 82 | 112.4 Ų | 112.4 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.6 | -49.1 | 171.3 | -71.1 | 168.9 | 0 | 0 | 0 | 109.6 | V459 I465 T466 T467 | V459-I463 HydrophobicContact CG1-CD1 3.66Å; V459-I463 HydrophobicContact CG1-CG1 4.36Å; V459-I463 WeakPolarHBondContact O-CB 3.23Å; V459-I463 WeakPolarHBondContact O-CG1 3.46Å; V459-I463 PolarHBondContact O-N 2.74Å; I463-I465 PolarHBondContact O-N 3.17Å; I463-T466 CarbonylContact O-C 3.52Å; I463-T466 PolarHBondContact O-N 2.79Å; I463-T466 PolarHBondContact O-OG1 3.46Å; I463-T467 HydrophobicContact CG2-CG2 3.85Å; I463-T467 WeakPolarHBondContact O-CG2 3.43Å; I463-T467 PolarHBondContact O-N 3.12Å; I463-T467 PolarHBondContact O-OG1 3.02Å |
| 464 | S | 38.2 | Very low | 37.9 | Very low | 68 Ų | 68 | 113.3 Ų | 113.3 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.5 | -29 | -179.4 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | L460 T461 T467 | L460-S464 WeakPolarHBondContact O-CB 3.15Å; L460-S464 PolarHBondContact O-N 2.86Å; L460-S464 PolarHBondContact O-OG 2.85Å; T461-S464 WeakPolarHBondContact CA-OG 3.49Å; T461-S464 PolarHBondContact O-N 2.8Å; T461-S464 PolarHBondContact O-OG 3.02Å; S464-T467 WeakPolarHBondContact CA-OG1 3.17Å; S464-T467 PolarHBondContact O-OG1 3.06Å |
| 465 | I | 40.9 | Very low | 37.6 | Very low | 117 Ų | 117 | 113.3 Ų | 113.3 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78 | -29.8 | 175.5 | -69.5 | 167.1 | 0 | 0 | 0 | 111.6 | T461 I463 | T461-I465 HydrophobicContact CG2-CD1 3.96Å; T461-I465 WeakPolarHBondContact O-CB 3.28Å; T461-I465 VanDerWaalsContact O-CG1 3.29Å; T461-I465 WeakPolarHBondContact O-CG1 3.38Å; T461-I465 PolarHBondContact O-N 2.98Å; I463-I465 PolarHBondContact O-N 3.17Å |
| 466 | T | 38.3 | Very low | 37.1 | Very low | 93 Ų | 93 | 115 Ų | 115 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -92.2 | -21.2 | 179.6 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | L462 I463 A468 | L462-T466 PolarHBondContact O-N 3.46Å; L462-T466 VanDerWaalsContact O-N 3.1Å; L462-T466 PolarHBondContact O-OG1 2.84Å; I463-T466 CarbonylContact O-C 3.52Å; I463-T466 PolarHBondContact O-N 2.79Å; I463-T466 PolarHBondContact O-OG1 3.46Å; T466-A468 VanDerWaalsContact C-N 3.26Å; T466-A468 PolarHBondContact O-N 3.24Å |
| 467 | T | 35.4 | Very low | 36.6 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 44% | 0.442 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.5 | -7.9 | 172.6 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | I463 S464 S469 V471 | I463-T467 HydrophobicContact CG2-CG2 3.85Å; I463-T467 WeakPolarHBondContact O-CG2 3.43Å; I463-T467 PolarHBondContact O-N 3.12Å; I463-T467 PolarHBondContact O-OG1 3.02Å; S464-T467 WeakPolarHBondContact CA-OG1 3.17Å; S464-T467 PolarHBondContact O-OG1 3.06Å; T467-S469 VanDerWaalsContact C-N 3.25Å; T467-S469 PolarHBondContact O-N 3.5Å; T467-V471 WeakPolarHBondContact O-CG2 3.44Å |
| 468 | A | 33.8 | Very low | 36.2 | Very low | 79 Ų | 79 | 112.2 Ų | 112.2 | 65% | 0.653 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -3.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T466 | T466-A468 VanDerWaalsContact C-N 3.26Å; T466-A468 PolarHBondContact O-N 3.24Å |
| 469 | S | 35.1 | Very low | 35.6 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 77% | 0.769 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -140 | 5.8 | -176 | -51.7 | 0 | 0 | 0 | 0 | 115.2 | T467 | T467-S469 VanDerWaalsContact C-N 3.25Å; T467-S469 PolarHBondContact O-N 3.5Å |
| 470 | I | 34.2 | Very low | 34.7 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | trans | -133.6 | 52.7 | 175 | -43.1 | -178.4 | 0 | 0 | 0 | 109.5 | ||||
| 471 | V | 27.8 | Very low | 34 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -120 | 60.1 | 171.9 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | T467 | T467-V471 WeakPolarHBondContact O-CG2 3.44Š| ||
| 472 | T | 30.8 | Very low | 33.5 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | -151.6 | 148.8 | 169.9 | -25.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 473 | L | 28.8 | Very low | 32.8 | Very low | 158 Ų | 158 | 130 Ų | 130 | 83% | 0.827 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 79.7 | 87.9 | 179.1 | -57.3 | 163.1 | 0 | 0 | 0 | 117.4 | ||
| 474 | M | 31.1 | Very low | 32.1 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | trans | 82 | 81.5 | 132.2 | -48.1 | -140.3 | 76 | 0 | 0 | 119.8 | ||||
| 475 | S | 30.9 | Very low | 31.6 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | -40.1 | 160 | 155.5 | 58.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 476 | N | 33 | Very low | 31 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | 73.4 | 153.7 | 151.5 | -67.3 | -36.6 | 0 | 0 | 0 | 117 | ||||
| 477 | Y | 29.2 | Very low | 30.4 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | cis | -153.9 | 178 | 15 | -151.2 | -152.3 | 0 | 0 | 0 | 113.8 | ||||
| 478 | Q | 32.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 53% | 0.533 | 77% | 0.766 | S | S | . | * | trans | 69.7 | 82.8 | 164.6 | -64.2 | -55.8 | -64.8 | 0 | 0 | 120.8 | ||||
| 479 | I | 32.2 | Very low | 29.7 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -63.1 | 131.4 | 140.1 | -64.7 | 152.8 | 0 | 0 | 0 | 109.1 | ||||
| 480 | R | 27.3 | Very low | 29.2 | Very low | 213 Ų | 213 | 160 Ų | 160 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -166.8 | -6.6 | 152.3 | -111 | 154.7 | -163.3 | -147 | 1.3 | 120.4 | ||||
| 481 | L | 29 | Very low | 29 | Very low | 167 Ų | 167 | 158.2 Ų | 158.2 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -127.3 | 80.5 | 178.5 | -78.8 | 96.8 | 0 | 0 | 0 | 114.7 | ||
| 482 | F | 30.5 | Very low | 28.9 | Very low | 169 Ų | 169 | 161.9 Ų | 161.9 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -164.7 | 6.5 | 141 | -136.7 | -105 | 0 | 0 | 0 | 116 | R484 A485 | F482-R484 PolarHBondContact O-N 2.97Å; F482-A485 HydrophobicContact CE1-CB 4.03Å; F482-A485 HydrophobicContact CZ-CB 4.44Å | ||
| 483 | V | 27.2 | Very low | 28.6 | Very low | 142 Ų | 142 | 163.8 Ų | 163.8 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 54.2 | -177.6 | -166.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 484 | R | 27.3 | Very low | 28.4 | Very low | 247 Ų | 247 | 162.2 Ų | 162.2 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.8 | 11.6 | -177.6 | -131.5 | 172.8 | -174.5 | 165.6 | 1.8 | 117.3 | F482 | F482-R484 PolarHBondContact O-N 2.97Š|
| 485 | A | 28.4 | Very low | 28.2 | Very low | 70 Ų | 70 | 158.7 Ų | 158.7 | 58% | 0.579 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -129.8 | 9.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F482 | F482-A485 HydrophobicContact CE1-CB 4.03Å; F482-A485 HydrophobicContact CZ-CB 4.44Å |
| 486 | V | 29.3 | Very low | 28.2 | Very low | 135 Ų | 135 | 159.7 Ų | 159.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -109.9 | 6.4 | -173.6 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 487 | Y | 25.6 | Very low | 28.1 | Very low | 220 Ų | 220 | 160.6 Ų | 160.6 | 86% | 0.863 | 78% | 0.783 | S | S | * | * | trans | -113 | 107.1 | 169.9 | -91.3 | -101.5 | 0 | 0 | 0 | 109.3 | ||||
| 488 | H | 27.2 | Very low | 28 | Very low | 172 Ų | 172 | 156.1 Ų | 156.1 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 159.6 | 144.1 | 141.9 | -91.5 | -70.2 | 0 | 0 | 0 | 111.9 | ||||
| 489 | M | 26 | Very low | 27.8 | Very low | 167 Ų | 167 | 158.4 Ų | 158.4 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | trans | 56.9 | 116.1 | 171.1 | -45.9 | -45.4 | -168.7 | 0 | 0 | 116.1 | ||||
| 490 | R | 24.1 | Very low | 27.7 | Very low | 240 Ų | 240 | 154.1 Ų | 154.1 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | cis | 66.9 | 150.3 | 35.3 | -86.6 | -168.5 | 179.9 | -163.6 | 1.6 | 114.5 | ||||
| 491 | P | 30.5 | Very low | 27.8 | Very low | 108 Ų | 108 | 151 Ų | 151 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | -103.6 | -167 | -120.7 | 41.1 | -41.3 | 0 | 0 | 0 | 115.2 | |||||
| 492 | F | 26.2 | Very low | 28.1 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -20.2 | 127.6 | 172.9 | -62.4 | -89.7 | 0 | 0 | 0 | 115.9 | ||||
| 493 | L | 24.1 | Very low | 28.1 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -104.8 | 94.9 | 161.1 | -157.1 | 81.6 | 0 | 0 | 0 | 109.6 | V495 | L493-V495 HydrophobicContact CD2-CG2 3.93Å; L493-V495 HydrophobicContact CG-CG2 4.15Å | ||
| 494 | V | 25.2 | Very low | 28.5 | Very low | 126 Ų | 126 | 148.5 Ų | 148.5 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -81.8 | 128.5 | 164.5 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 495 | V | 27.3 | Very low | 28.7 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 59% | 0.594 | 78% | 0.775 | S | S | * | * | trans | -116.1 | 106.2 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | L493 L497 | L493-V495 HydrophobicContact CD2-CG2 3.93Å; L493-V495 HydrophobicContact CG-CG2 4.15Å; V495-L497 HydrophobicContact CG1-CG 4.29Å | ||
| 496 | P | 29.7 | Very low | 28.7 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -77.1 | 124.7 | 172 | 31 | -31.4 | 0 | 0 | 0 | 109.4 | ||||
| 497 | L | 30.8 | Very low | 28.5 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -118.8 | 109.3 | 168.2 | -72.4 | 177.2 | 0 | 0 | 0 | 109.6 | V495 | V495-L497 HydrophobicContact CG1-CG 4.29Š| ||
| 498 | S | 27.7 | Very low | 28.9 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | trans | -88.3 | 161.7 | 173 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 499 | N | 29.4 | Very low | 28.8 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | 52.7 | 105.9 | 158.2 | -59.5 | -8.3 | 0 | 0 | 0 | 118.5 | ||||
| 500 | G | 28.6 | Very low | 29.2 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | 132 | 127.1 | 128.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 501 | T | 29.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 91% | 0.908 | 77% | 0.765 | S | S | * | * | trans | 69.7 | 148.4 | 152 | 53.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 502 | P | 36.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | -138.1 | -172.7 | -147.4 | 29.1 | -2.7 | 0 | 0 | 0 | 116.4 | ||||
| 503 | Y | 30.5 | Very low | 29.5 | Very low | 204 Ų | 204 | 129.4 Ų | 129.4 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | trans | 73.8 | 164.2 | 162.8 | -67.9 | -59.2 | 0 | 0 | 0 | 117.5 | ||||
| 504 | P | 34.8 | Very low | 29.7 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | cis | -115.7 | 168.9 | 6.2 | 17.5 | 6.9 | 0 | 0 | 0 | 116.5 | ||||
| 505 | P | 32.1 | Very low | 29.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | trans | -95.4 | 167.5 | -172.6 | 38.6 | -36.3 | 0 | 0 | 0 | 114.4 | ||||
| 506 | C | 27.7 | Very low | 29.7 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -139.2 | 140 | 157.7 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 507 | S | 26.2 | Very low | 29.8 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -59.4 | 152.5 | 173.1 | 50.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 508 | V | 32.6 | Very low | 29.8 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | cis | -136.4 | 147 | 38.1 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 509 | C | 26.6 | Very low | 29.7 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -128 | 141.5 | -180 | -53.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 510 | T | 33.2 | Very low | 29.6 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -172.7 | 94.7 | 142.2 | 37 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 511 | S | 27.2 | Very low | 29.3 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | 65.9 | 116.1 | 96 | 64.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 512 | E | 33 | Very low | 29.1 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | cis | -131.8 | 150.8 | 25.5 | -72.2 | 178.3 | 135.5 | 0 | 0 | 111.1 | ||||
| 513 | M | 27.7 | Very low | 28.7 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | cis | 69.4 | 125.3 | 5.8 | -61.7 | -169.4 | 168.5 | 0 | 0 | 118 | ||||
| 514 | N | 27.1 | Very low | 28.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -162.3 | 168.4 | 4.1 | -105.6 | -18.5 | 0 | 0 | 0 | 112.4 | ||||
| 515 | I | 27.2 | Very low | 28.2 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | -173.7 | 152.2 | 112.6 | -89.1 | 162.7 | 0 | 0 | 0 | 108.9 | |||||
| 516 | C | 25.2 | Very low | 28.1 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -90.4 | -174.2 | -147.7 | -56.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 517 | V | 33.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 138 Ų | 138 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -127.2 | 154.8 | -178 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 518 | E | 29.1 | Very low | 28.5 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -120.6 | 129.7 | 170.2 | -79.1 | -177.8 | 159.8 | 0 | 0 | 113.2 | ||||
| 519 | E | 27 | Very low | 28.3 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | 67.5 | 143.2 | 155 | -55.1 | -156 | 149 | 0 | 0 | 124.6 | ||||
| 520 | L | 25.8 | Very low | 28.5 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | 75.7 | 132.2 | 166.2 | -66.4 | 167.8 | 0 | 0 | 0 | 120.5 | ||||
| 521 | C | 22.9 | Very low | 28.6 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | -150.7 | 138.3 | 177 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 522 | L | 24.4 | Very low | 29.1 | Very low | 165 Ų | 165 | 133 Ų | 133 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | -146.7 | 149.7 | -175.8 | -72.9 | 174.4 | 0 | 0 | 0 | 112.3 | ||||
| 523 | I | 28.8 | Very low | 29 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 80% | 0.795 | 70% | 0.698 | S | S | * | * | trans | -137 | 130.7 | -174.2 | -52.7 | 174.3 | 0 | 0 | 0 | 110.6 | ||||
| 524 | P | 27.3 | Very low | 29.4 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 69% | 0.69 | S | S | * | * | trans | -110.4 | 163.8 | 173.1 | 36.7 | -27.6 | 0 | 0 | 0 | 114.8 | ||||
| 525 | I | 27.1 | Very low | 29.7 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | -118.4 | 154 | -166.5 | -59.7 | 171.8 | 0 | 0 | 0 | 111.4 | ||||
| 526 | P | 30.6 | Very low | 29.9 | Very low | 67 Ų | 67 | 125.2 Ų | 125.2 | 44% | 0.435 | 67% | 0.666 | S | S | . | * | trans | -95.3 | 159.4 | -177.4 | 11.8 | 8.1 | 0 | 0 | 0 | 115.9 | N582 | P526-N582 WeakPolarHBondContact CA-ND2 3.44Å; P526-N582 HydrophobicContact CB-CB 4.34Å; P526-N582 VanDerWaalsContact CB-CG 3.43Å; P526-N582 WeakPolarHBondContact CB-ND2 3.33Å; P526-N582 VanDerWaalsContact CB-OD1 3.28Å; P526-N582 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 527 | F | 30.4 | Very low | 30.2 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | trans | -78.1 | -159.2 | 172.6 | -41.3 | -80.5 | 0 | 0 | 0 | 113.3 | E531 C581 N582 | F527-E531 VanDerWaalsContact CB-OE2 3.3Å; F527-E531 WeakPolarHBondContact CB-OE2 3.4Å; F527-C581 HydrophobicContact CB-CB 4.15Å; F527-C581 HydrophobicContact CD2-CB 3.62Å; F527-C581 WeakPolarHBondContact CD2-SG 3.2Å; F527-C581 HydrophobicContact CE2-CB 4.38Å; F527-C581 WeakPolarHBondContact CE2-SG 3.36Å; F527-C581 HydrophobicContact CG-CB 4.22Å; F527-N582 HydrophobicContact CB-CB 3.59Å; F527-N582 HydrophobicContact CD2-CB 3.88Å; F527-N582 VanDerWaalsContact CD2-ND2 3.32Å; F527-N582 WeakPolarHBondContact CD2-ND2 3.42Å; F527-N582 HydrophobicContact CG-CB 4.2Å; F527-N582 PolarHBondContact N-ND2 3.29Å; F527-N582 VanDerWaalsContact N-ND2 3.16Å | ||
| 528 | S | 31.7 | Very low | 30.1 | Very low | 70 Ų | 70 | 122.7 Ų | 122.7 | 49% | 0.49 | 65% | 0.648 | S | S | . | * | trans | -133.3 | 171.5 | -163 | 66.6 | 0 | 0 | 0 | 0 | 117.7 | M530 E531 N582 | S528-M530 PolarHBondContact O-N 3.22Å; S528-E531 PolarHBondContact O-N 2.88Å; S528-N582 CarbonylContact C-O 3.6Å | ||
| 529 | D | 28.7 | Very low | 30.2 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -20 | -162 | -51.4 | -75.8 | 0 | 0 | 0 | 116.9 | E531 I532 Y533 | D529-E531 VanDerWaalsContact C-N 3.26Å; D529-E531 PolarHBondContact O-N 3.12Å; D529-I532 WeakPolarHBondContact O-CB 3.3Å; D529-I532 PolarHBondContact O-N 2.82Å; D529-Y533 PolarHBondContact O-N 2.76Å |
| 530 | M | 30.1 | Very low | 30.3 | Very low | 154 Ų | 154 | 117.4 Ų | 117.4 | 76% | 0.759 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.5 | -32.9 | -177 | -158.4 | -164.4 | -61.1 | 0 | 0 | 111.6 | S528 I532 Y533 T534 | S528-M530 PolarHBondContact O-N 3.22Å; M530-I532 VanDerWaalsContact C-N 3.3Å; M530-I532 PolarHBondContact O-N 3.12Å; M530-Y533 PolarHBondContact O-N 2.96Å; M530-T534 PolarHBondContact O-N 2.66Å; M530-T534 PolarHBondContact O-OG1 2.87Å |
| 531 | E | 36.5 | Very low | 30.6 | Very low | 77 Ų | 77 | 116 Ų | 116 | 36% | 0.36 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.2 | -31.6 | 178.3 | -60.5 | 178.1 | 92.6 | 0 | 0 | 111.5 | F527 S528 D529 C581 | F527-E531 VanDerWaalsContact CB-OE2 3.3Å; F527-E531 WeakPolarHBondContact CB-OE2 3.4Å; S528-E531 PolarHBondContact O-N 2.88Å; D529-E531 VanDerWaalsContact C-N 3.26Å; D529-E531 PolarHBondContact O-N 3.12Å; E531-C581 HydrophobicContact CB-CB 3.9Å; E531-C581 HydrophobicContact CG-CB 4.18Å; E531-C581 VanDerWaalsContact OE1-CB 3.23Å; E531-C581 WeakPolarHBondContact OE1-CB 3.33Å; E531-C581 PolarHBondContact OE1-SG 3.15Å; E531-C581 WeakPolarHBondContact OE2-CB 3.47Å |
| 532 | I | 36.7 | Very low | 31 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 34% | 0.344 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.3 | -45.8 | 176.3 | -58 | 179.6 | 0 | 0 | 0 | 110.9 | D529 M530 T534 M535 L536 | D529-I532 WeakPolarHBondContact O-CB 3.3Å; D529-I532 PolarHBondContact O-N 2.82Å; M530-I532 VanDerWaalsContact C-N 3.3Å; M530-I532 PolarHBondContact O-N 3.12Å; I532-T534 VanDerWaalsContact C-N 3.34Å; I532-T534 PolarHBondContact O-N 2.82Å; I532-M535 PolarHBondContact O-N 2.9Å; I532-L536 HydrophobicContact CG2-CD1 4.25Å; I532-L536 PolarHBondContact O-N 2.81Å |
| 533 | Y | 32.3 | Very low | 31 | Very low | 179 Ų | 179 | 122.2 Ų | 122.2 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.4 | -39.2 | -178.4 | -99.3 | -90.4 | 0 | 0 | 0 | 112.9 | D529 M530 M535 L536 | D529-Y533 PolarHBondContact O-N 2.76Å; M530-Y533 PolarHBondContact O-N 2.96Å; Y533-M535 VanDerWaalsContact C-N 3.34Å; Y533-M535 PolarHBondContact O-N 2.78Å; Y533-L536 PolarHBondContact O-N 3.47Å |
| 534 | T | 34.7 | Very low | 31 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 58% | 0.583 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.4 | -32.4 | 179.7 | -49.3 | 0 | 0 | 0 | 0 | 112.7 | M530 I532 | M530-T534 PolarHBondContact O-N 2.66Å; M530-T534 PolarHBondContact O-OG1 2.87Å; I532-T534 VanDerWaalsContact C-N 3.34Å; I532-T534 PolarHBondContact O-N 2.82Å |
| 535 | M | 32.9 | Very low | 31 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 43% | 0.429 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.2 | -31.3 | 176.1 | -69.8 | -152.6 | 74 | 0 | 0 | 113.5 | I532 Y533 R580 | I532-M535 PolarHBondContact O-N 2.9Å; Y533-M535 VanDerWaalsContact C-N 3.34Å; Y533-M535 PolarHBondContact O-N 2.78Å; M535-R580 HydrophobicContact SD-CB 3.53Å; M535-R580 VanDerWaalsContact SD-CB 3.53Å; M535-R580 HydrophobicContact SD-CG 4.27Å |
| 536 | L | 32.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 121.5 Ų | 121.5 | 56% | 0.555 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.6 | -35.4 | -178.7 | -76.1 | 164.1 | 0 | 0 | 0 | 113 | I532 Y533 L538 H539 | I532-L536 HydrophobicContact CG2-CD1 4.25Å; I532-L536 PolarHBondContact O-N 2.81Å; Y533-L536 PolarHBondContact O-N 3.47Å; L536-L538 PolarHBondContact O-N 3.2Å; L536-H539 PolarHBondContact O-N 2.73Å |
| 537 | A | 30.7 | Very low | 30.8 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 55% | 0.554 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.6 | -41.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H539 | A537-H539 VanDerWaalsContact C-N 3.33Å; A537-H539 PolarHBondContact O-N 2.71Å |
| 538 | L | 31.4 | Very low | 30.7 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 68% | 0.681 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.4 | -19.2 | -175.3 | -71 | 167.2 | 0 | 0 | 0 | 113.9 | L536 N540 | L536-L538 PolarHBondContact O-N 3.2Å; L538-N540 VanDerWaalsContact C-N 3.33Å; L538-N540 PolarHBondContact O-N 3.32Å |
| 539 | H | 31.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -11.8 | -175.8 | -169.5 | 79 | 0 | 0 | 0 | 114.2 | L536 A537 | L536-H539 PolarHBondContact O-N 2.73Å; A537-H539 VanDerWaalsContact C-N 3.33Å; A537-H539 PolarHBondContact O-N 2.71Å |
| 540 | N | 29.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -8.1 | -172.2 | -73.8 | -37.8 | 0 | 0 | 0 | 115.5 | L538 | L538-N540 VanDerWaalsContact C-N 3.33Å; L538-N540 PolarHBondContact O-N 3.32Å |
| 541 | I | 31.7 | Very low | 30.1 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 70% | 0.697 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -85.9 | -17.2 | -164.9 | -68.5 | 173.3 | 0 | 0 | 0 | 114.8 | ||
| 542 | K | 29.9 | Very low | 29.7 | Very low | 208 Ų | 208 | 130 Ų | 130 | 90% | 0.904 | 69% | 0.694 | S | S | * | * | trans | -113.5 | 61.6 | -177.6 | -73.7 | -165.6 | 171.1 | -173.2 | 0 | 114.5 | ||||
| 543 | R | 26.1 | Very low | 29.1 | Very low | 204 Ų | 204 | 132.7 Ų | 132.7 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | trans | -131.5 | 105.9 | 162.4 | -98.3 | -171.1 | 168.5 | -168.5 | -6.8 | 110.3 | ||||
| 544 | S | 27.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | trans | -157 | 162.6 | 160.9 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 545 | E | 27.4 | Very low | 28.5 | Very low | 196 Ų | 196 | 130.4 Ų | 130.4 | 92% | 0.916 | 70% | 0.698 | S | S | * | * | trans | -117.4 | 135 | -171.2 | -59.4 | 160.2 | 127.6 | 0 | 0 | 109.9 | ||||
| 546 | A | 26.1 | Very low | 28.3 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -178.8 | 158.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 547 | A | 27.8 | Very low | 27.8 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | trans | 41 | 120.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 548 | V | 27.3 | Very low | 27.5 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | cis | 73.6 | 115.6 | 37 | -169.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 549 | E | 25.9 | Very low | 27.2 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | trans | 75.7 | 145.9 | 159.7 | -81.7 | -175 | 155 | 0 | 0 | 123 | ||||
| 550 | I | 25.7 | Very low | 27 | Very low | 134 Ų | 134 | 142 Ų | 142 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | 80.8 | 131.4 | 153.3 | -72 | 156 | 0 | 0 | 0 | 119.9 | ||||
| 551 | F | 27.8 | Very low | 26.7 | Very low | 195 Ų | 195 | 145.5 Ų | 145.5 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | 52 | 140.6 | 175.8 | -64.8 | -61.6 | 0 | 0 | 0 | 120 | ||||
| 552 | G | 26.6 | Very low | 26.4 | Very low | 61 Ų | 61 | 145.1 Ų | 145.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 129.6 | 126.3 | -19.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 553 | I | 25.2 | Very low | 26.1 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 64% | 0.641 | 77% | 0.765 | S | S | * | * | trans | 78.4 | 155.6 | 166.1 | -48.9 | 171.3 | 0 | 0 | 0 | 114.7 | ||||
| 554 | L | 27.9 | Very low | 26.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | trans | 73 | 135.9 | -179.2 | -52 | -179.4 | 0 | 0 | 0 | 117.6 | D665 | L554-D665 HydrophobicContact CD2-CB 4.28Š| ||
| 555 | K | 25.5 | Very low | 26 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 46% | 0.457 | 76% | 0.762 | S | S | . | * | cis | -154.6 | 140.3 | -28.4 | -161.8 | 152.4 | 156.9 | 167.1 | 0 | 109.7 | V662 | K555-V662 HydrophobicContact CD-CG1 4.14Å; K555-V662 WeakPolarHBondContact CE-O 3.4Å; K555-V662 HydrophobicContact CG-CG1 3.89Å; K555-V662 PolarHBondContact NZ-O 3.02Å | ||
| 556 | Y | 29 | Very low | 26 | Very low | 202 Ų | 202 | 138 Ų | 138 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | -65.4 | 144.4 | 166.8 | -97 | -114.2 | 0 | 0 | 0 | 110.8 | ||||
| 557 | Q | 23.7 | Very low | 26.4 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | 172.2 | 162.6 | 121.9 | -94.4 | 162.8 | -19.7 | 0 | 0 | 113.2 | |||||
| 558 | A | 24.2 | Very low | 26.5 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 71.5 | 156.6 | 174 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 559 | N | 25.5 | Very low | 26.6 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | 68.3 | 86.9 | 167 | -59.6 | -24 | 0 | 0 | 0 | 119.5 | ||||
| 560 | M | 25.5 | Very low | 27.1 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 79% | 0.793 | 72% | 0.721 | S | S | * | * | trans | -133.5 | 4.5 | 160.5 | -94.4 | -68.8 | -75.1 | 0 | 0 | 115.1 | ||||
| 561 | E | 24.1 | Very low | 27.4 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.1 | -10.2 | -174.1 | -64.2 | -166.4 | 116.5 | 0 | 0 | 115.3 | ||
| 562 | C | 24.8 | Very low | 27.6 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 86% | 0.858 | 70% | 0.699 | S | S | * | * | trans | -107.8 | 36 | -171.5 | -74.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 563 | L | 24.8 | Very low | 28 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | trans | -102.5 | 30.6 | 174 | -72.9 | 175.5 | 0 | 0 | 0 | 114.4 | ||||
| 564 | N | 25 | Very low | 28.6 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -99.2 | 101.7 | 163.2 | -79.4 | -74.8 | 0 | 0 | 0 | 110.2 | ||
| 565 | N | 26.5 | Very low | 28.9 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 67 | 109.9 | 175.3 | -53.4 | -39.3 | 0 | 0 | 0 | 117.5 | ||
| 566 | V | 26.4 | Very low | 29.5 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | 179.9 | 147.6 | 118.8 | 147.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 567 | S | 36.3 | Very low | 29.8 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 52% | 0.517 | 68% | 0.681 | S | S | . | * | trans | -100.6 | 129.9 | 171.2 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 568 | M | 28.7 | Very low | 30.2 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 60% | 0.601 | 67% | 0.673 | S | S | * | * | trans | -149.4 | -33.2 | 170.8 | -151.6 | 156.7 | 62.9 | 0 | 0 | 114.9 | T571 K572 | M568-T571 WeakPolarHBondContact O-CB 3.45Å; M568-T571 PolarHBondContact O-N 2.95Å; M568-T571 PolarHBondContact O-OG1 2.66Å; M568-K572 PolarHBondContact O-N 2.85Å; M568-K572 VanDerWaalsContact O-N 3.11Å | ||
| 569 | D | 30 | Very low | 30.5 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 58% | 0.578 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -83.1 | -22.6 | 176.9 | -62.2 | -50 | 0 | 0 | 0 | 113.5 | T571 K572 Y573 | D569-T571 PolarHBondContact O-N 2.8Å; D569-K572 PolarHBondContact O-N 3.15Å; D569-K572 WeakPolarHBondContact OD1-CD 3.48Å; D569-K572 IonicContact OD1-NZ 3.92Å; D569-K572 PolarHBondContact OD1-NZ 3.23Å; D569-Y573 WeakPolarHBondContact O-CB 3.42Å; D569-Y573 PolarHBondContact O-N 3.06Å |
| 570 | L | 35.2 | Very low | 31 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -55.3 | -40.6 | 160.1 | -95.9 | 161.9 | 0 | 0 | 0 | 110.9 | A574 | L570-A574 WeakPolarHBondContact O-CB 3.37Å; L570-A574 PolarHBondContact O-N 3.05Å |
| 571 | T | 32.2 | Very low | 31.2 | Very low | 84 Ų | 84 | 115.1 Ų | 115.1 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.4 | -44.7 | 177.3 | -37.2 | 0 | 0 | 0 | 0 | 111.6 | M568 D569 Q575 | M568-T571 WeakPolarHBondContact O-CB 3.45Å; M568-T571 PolarHBondContact O-N 2.95Å; M568-T571 PolarHBondContact O-OG1 2.66Å; D569-T571 PolarHBondContact O-N 2.8Å; T571-Q575 PolarHBondContact O-N 3.29Å |
| 572 | K | 32 | Very low | 31.6 | Very low | 130 Ų | 130 | 109 Ų | 109 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.9 | -37.3 | 176.4 | -68 | -177.8 | -163.5 | 146.6 | 0 | 113.3 | M568 D569 Q575 S576 | M568-K572 PolarHBondContact O-N 2.85Å; M568-K572 VanDerWaalsContact O-N 3.11Å; D569-K572 PolarHBondContact O-N 3.15Å; D569-K572 WeakPolarHBondContact OD1-CD 3.48Å; D569-K572 IonicContact OD1-NZ 3.92Å; D569-K572 PolarHBondContact OD1-NZ 3.23Å; K572-Q575 WeakPolarHBondContact O-CB 3.24Å; K572-Q575 PolarHBondContact O-N 2.87Å; K572-S576 PolarHBondContact O-N 3.24Å; K572-S576 VanDerWaalsContact O-N 3.08Å |
| 573 | Y | 36.5 | Very low | 31.7 | Very low | 136 Ų | 136 | 104.6 Ų | 104.6 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.4 | -39.6 | 178.7 | -169.5 | -114.5 | 0 | 0 | 0 | 111.5 | D569 Q575 S576 L577 Y609 | D569-Y573 WeakPolarHBondContact O-CB 3.42Å; D569-Y573 PolarHBondContact O-N 3.06Å; Y573-Q575 VanDerWaalsContact C-N 3.33Å; Y573-Q575 PolarHBondContact O-N 3.03Å; Y573-S576 VanDerWaalsContact O-CB 3.3Å; Y573-S576 WeakPolarHBondContact O-CB 3.45Å; Y573-S576 PolarHBondContact O-N 2.78Å; Y573-S576 VanDerWaalsContact O-N 3.1Å; Y573-L577 HydrophobicContact CE1-CD1 4.39Å; Y573-L577 PolarHBondContact O-N 3.25Å; Y573-Y609 PolarHBondContact OH-OH 2.94Å |
| 574 | A | 35.9 | Very low | 31.8 | Very low | 55 Ų | 55 | 102.2 Ų | 102.2 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -40.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L570 S576 L577 A578 | L570-A574 WeakPolarHBondContact O-CB 3.37Å; L570-A574 PolarHBondContact O-N 3.05Å; A574-S576 PolarHBondContact O-N 3.22Å; A574-L577 WeakPolarHBondContact O-CB 3.44Å; A574-L577 PolarHBondContact O-N 2.86Å; A574-A578 PolarHBondContact O-N 3.4Å |
| 575 | Q | 35.5 | Very low | 32 | Very low | 111 Ų | 111 | 101.5 Ų | 101.5 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -28.6 | 173.9 | -160 | 67.9 | 62.7 | 0 | 0 | 112.7 | T571 K572 Y573 L577 A578 N579 | T571-Q575 PolarHBondContact O-N 3.29Å; K572-Q575 WeakPolarHBondContact O-CB 3.24Å; K572-Q575 PolarHBondContact O-N 2.87Å; Y573-Q575 VanDerWaalsContact C-N 3.33Å; Y573-Q575 PolarHBondContact O-N 3.03Å; Q575-L577 VanDerWaalsContact C-N 3.34Å; Q575-A578 PolarHBondContact O-N 3.32Å; Q575-N579 PolarHBondContact NE2-OD1 3.09Å; Q575-N579 PolarHBondContact O-OD1 3.42Å; Q575-N579 VanDerWaalsContact O-OD1 3.13Å |
| 576 | S | 37.7 | Very low | 32.3 | Very low | 74 Ų | 74 | 102.9 Ų | 102.9 | 52% | 0.517 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.1 | -26.4 | 173.5 | -165.9 | 0 | 0 | 0 | 0 | 113.2 | K572 Y573 A574 | K572-S576 PolarHBondContact O-N 3.24Å; K572-S576 VanDerWaalsContact O-N 3.08Å; Y573-S576 VanDerWaalsContact O-CB 3.3Å; Y573-S576 WeakPolarHBondContact O-CB 3.45Å; Y573-S576 PolarHBondContact O-N 2.78Å; Y573-S576 VanDerWaalsContact O-N 3.1Å; A574-S576 PolarHBondContact O-N 3.22Å |
| 577 | L | 35 | Very low | 32.6 | Very low | 139 Ų | 139 | 102.1 Ų | 102.1 | 73% | 0.728 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.2 | -28.1 | 173.9 | -98.6 | 112.7 | 0 | 0 | 0 | 113.2 | Y573 A574 Q575 | Y573-L577 HydrophobicContact CE1-CD1 4.39Å; Y573-L577 PolarHBondContact O-N 3.25Å; A574-L577 WeakPolarHBondContact O-CB 3.44Å; A574-L577 PolarHBondContact O-N 2.86Å; Q575-L577 VanDerWaalsContact C-N 3.34Å |
| 578 | A | 33 | Very low | 32.4 | Very low | 70 Ų | 70 | 105.4 Ų | 105.4 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -82.7 | -17.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | A574 Q575 | A574-A578 PolarHBondContact O-N 3.4Å; Q575-A578 PolarHBondContact O-N 3.32Å |
| 579 | N | 30.5 | Very low | 32.4 | Very low | 94 Ų | 94 | 103.5 Ų | 103.5 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -102 | -2.1 | -152.6 | -77 | 14.5 | 0 | 0 | 0 | 117.2 | Q575 | Q575-N579 PolarHBondContact NE2-OD1 3.09Å; Q575-N579 PolarHBondContact O-OD1 3.42Å; Q575-N579 VanDerWaalsContact O-OD1 3.13Å |
| 580 | R | 34.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 104 Ų | 104 | 60% | 0.604 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -144.7 | 57.3 | -171.7 | -70.7 | -173.6 | -88.3 | -155.6 | -8.7 | 116.1 | M535 | M535-R580 HydrophobicContact SD-CB 3.53Å; M535-R580 VanDerWaalsContact SD-CB 3.53Å; M535-R580 HydrophobicContact SD-CG 4.27Å |
| 581 | C | 30.7 | Very low | 31.9 | Very low | 26 Ų | 26 | 106.4 Ų | 106.4 | 18% | 0.176 | 56% | 0.564 | C | S | . | * | 27.9 | 148.9 | 129.7 | -38.6 | 0 | 0 | 0 | 0 | 123.4 | F527 E531 | F527-C581 HydrophobicContact CB-CB 4.15Å; F527-C581 HydrophobicContact CD2-CB 3.62Å; F527-C581 WeakPolarHBondContact CD2-SG 3.2Å; F527-C581 HydrophobicContact CE2-CB 4.38Å; F527-C581 WeakPolarHBondContact CE2-SG 3.36Å; F527-C581 HydrophobicContact CG-CB 4.22Å; E531-C581 HydrophobicContact CB-CB 3.9Å; E531-C581 HydrophobicContact CG-CB 4.18Å; E531-C581 VanDerWaalsContact OE1-CB 3.23Å; E531-C581 WeakPolarHBondContact OE1-CB 3.33Å; E531-C581 PolarHBondContact OE1-SG 3.15Å; E531-C581 WeakPolarHBondContact OE2-CB 3.47Å | |||
| 582 | N | 32.5 | Very low | 31.6 | Very low | 60 Ų | 60 | 104.1 Ų | 104.1 | 32% | 0.321 | 56% | 0.557 | S | S | . | * | cis | -173.1 | 154.4 | -37.2 | -144 | -25.6 | 0 | 0 | 0 | 110.2 | P526 F527 S528 | P526-N582 WeakPolarHBondContact CA-ND2 3.44Å; P526-N582 HydrophobicContact CB-CB 4.34Å; P526-N582 VanDerWaalsContact CB-CG 3.43Å; P526-N582 WeakPolarHBondContact CB-ND2 3.33Å; P526-N582 VanDerWaalsContact CB-OD1 3.28Å; P526-N582 WeakPolarHBondContact CB-OD1 3.5Å; F527-N582 HydrophobicContact CB-CB 3.59Å; F527-N582 HydrophobicContact CD2-CB 3.88Å; F527-N582 VanDerWaalsContact CD2-ND2 3.32Å; F527-N582 WeakPolarHBondContact CD2-ND2 3.42Å; F527-N582 HydrophobicContact CG-CB 4.2Å; F527-N582 PolarHBondContact N-ND2 3.29Å; F527-N582 VanDerWaalsContact N-ND2 3.16Å; S528-N582 CarbonylContact C-O 3.6Å | ||
| 583 | A | 27 | Very low | 31.3 | Very low | 34 Ų | 34 | 103.5 Ų | 103.5 | 28% | 0.281 | 56% | 0.559 | S | S | . | * | trans | 173.6 | 141.4 | 153.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 584 | T | 25.7 | Very low | 30.9 | Very low | 105 Ų | 105 | 101.1 Ų | 101.1 | 64% | 0.644 | 56% | 0.559 | S | S | * | * | trans | 57.5 | 172.8 | 153.4 | 61.9 | 0 | 0 | 0 | 0 | 122.5 | K588 | T584-K588 PolarHBondContact O-NZ 2.99Š| ||
| 585 | D | 29.9 | Very low | 30.6 | Very low | 124 Ų | 124 | 101.7 Ų | 101.7 | 66% | 0.663 | 56% | 0.556 | S | S | * | * | trans | -105.5 | 146 | -145.2 | 174.9 | 40 | 0 | 0 | 0 | 115.3 | S587 | D585-S587 PolarHBondContact OD1-N 3.15Š| ||
| 586 | Y | 33.9 | Very low | 30.3 | Very low | 184 Ų | 184 | 104.1 Ų | 104.1 | 72% | 0.722 | 57% | 0.566 | S | S | * | * | trans | -157.7 | 37.5 | 168.5 | -64.6 | -74.6 | 0 | 0 | 0 | 113.2 | K588 | Y586-K588 VanDerWaalsContact C-N 3.32Å; Y586-K588 VanDerWaalsContact O-CG 3.22Å; Y586-K588 WeakPolarHBondContact O-CG 3.2Å; Y586-K588 PolarHBondContact O-N 3.47Å | ||
| 587 | S | 31.3 | Very low | 30.1 | Very low | 119 Ų | 119 | 103.4 Ų | 103.4 | 83% | 0.832 | 56% | 0.558 | S | S | * | * | trans | 45.1 | 47.3 | 167.7 | 47.9 | 0 | 0 | 0 | 0 | 116.3 | D585 | D585-S587 PolarHBondContact OD1-N 3.15Š| ||
| 588 | K | 32.7 | Very low | 29.8 | Very low | 142 Ų | 142 | 103.1 Ų | 103.1 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | trans | -91.4 | 148.6 | -161.3 | -43.7 | 159.6 | -170 | 159 | 0 | 111.7 | T584 Y586 | T584-K588 PolarHBondContact O-NZ 2.99Å; Y586-K588 VanDerWaalsContact C-N 3.32Å; Y586-K588 VanDerWaalsContact O-CG 3.22Å; Y586-K588 WeakPolarHBondContact O-CG 3.2Å; Y586-K588 PolarHBondContact O-N 3.47Å | ||
| 589 | S | 29.3 | Very low | 29.7 | Very low | 83 Ų | 83 | 109.6 Ų | 109.6 | 58% | 0.58 | 57% | 0.566 | S | S | * | * | cis | -167.9 | 134.8 | -31.8 | 175.8 | 0 | 0 | 0 | 0 | 106.5 | Y591 | S589-Y591 VanDerWaalsContact C-N 3.31Å; S589-Y591 PolarHBondContact O-N 3.32Å; S589-Y591 PolarHBondContact OG-O 3.03Å | ||
| 590 | P | 27.3 | Very low | 29.6 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 76% | 0.76 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -74.2 | -16.2 | -176.9 | 28.4 | -34.3 | 0 | 0 | 0 | 114.7 | ||
| 591 | Y | 26.1 | Very low | 29.3 | Very low | 188 Ų | 188 | 108.3 Ų | 108.3 | 74% | 0.737 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -147.9 | 153.5 | 178.2 | -56.9 | -83.2 | 0 | 0 | 0 | 111 | S589 | S589-Y591 VanDerWaalsContact C-N 3.31Å; S589-Y591 PolarHBondContact O-N 3.32Å; S589-Y591 PolarHBondContact OG-O 3.03Å |
| 592 | G | 25.8 | Very low | 29.3 | Very low | 36 Ų | 36 | 112.9 Ų | 112.9 | 37% | 0.371 | 60% | 0.595 | S | S | . | * | trans | 98.3 | 120.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 593 | I | 27.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 60% | 0.595 | 61% | 0.612 | S | S | * | * | trans | -82.9 | 151.3 | 161.2 | -63.1 | 169 | 0 | 0 | 0 | 107.3 | V595 | I593-V595 HydrophobicContact CG2-CG2 4.49Š| ||
| 594 | T | 27.3 | Very low | 29.5 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | trans | -114.9 | 132.7 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 111 | F596 | T594-F596 HydrophobicContact CG2-CE2 4.31Å; T594-F596 HydrophobicContact CG2-CZ 4.39Å | ||
| 595 | V | 29.6 | Very low | 29.8 | Very low | 67 Ų | 67 | 115.6 Ų | 115.6 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | trans | -125 | 122.6 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | I593 I604 | I593-V595 HydrophobicContact CG2-CG2 4.49Å; V595-I604 HydrophobicContact CB-CD1 4.28Å | ||
| 596 | F | 30.3 | Very low | 29.8 | Very low | 163 Ų | 163 | 112.6 Ų | 112.6 | 72% | 0.715 | 57% | 0.573 | S | S | * | * | trans | -83.6 | 147.5 | -179.6 | -65.8 | -90.7 | 0 | 0 | 0 | 111.9 | T594 | T594-F596 HydrophobicContact CG2-CE2 4.31Å; T594-F596 HydrophobicContact CG2-CZ 4.39Å | ||
| 597 | T | 31.8 | Very low | 29.8 | Very low | 59 Ų | 59 | 110.7 Ų | 110.7 | 36% | 0.362 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -129.7 | 157.6 | 178 | 83.2 | 0 | 0 | 0 | 0 | 112.1 | K599 G600 I604 | T597-K599 PolarHBondContact O-N 3.4Å; T597-G600 PolarHBondContact O-N 2.88Å; T597-G600 PolarHBondContact OG1-O 3.15Å; T597-I604 HydrophobicContact CG2-CD1 4.38Å |
| 598 | K | 30.6 | Very low | 29.9 | Very low | 132 Ų | 132 | 108.6 Ų | 108.6 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 15.5 | 179.3 | -97.4 | 177.7 | 173.7 | 167.5 | 0 | 115.3 | ||
| 599 | K | 29.5 | Very low | 29.9 | Very low | 207 Ų | 207 | 108.8 Ų | 108.8 | 90% | 0.9 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.6 | 13.1 | 174.1 | -73.9 | -165.3 | 171.5 | -170.2 | 0 | 114.3 | T597 | T597-K599 PolarHBondContact O-N 3.4Š|
| 600 | G | 29.2 | Very low | 30.1 | Very low | 46 Ų | 46 | 110.7 Ų | 110.7 | 47% | 0.474 | 54% | 0.541 | S | S | . | . | B | Isolated β-bridge | trans | 105.3 | -169.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T597 Q602 | T597-G600 PolarHBondContact O-N 2.88Å; T597-G600 PolarHBondContact OG1-O 3.15Å; G600-Q602 PolarHBondContact O-N 3.3Å |
| 601 | Q | 27.9 | Very low | 30.5 | Very low | 180 Ų | 180 | 107.2 Ų | 107.2 | 84% | 0.841 | 52% | 0.516 | S | S | * | . | trans | -76.7 | 119 | -168.2 | -159.4 | 176.9 | 20.4 | 0 | 0 | 111.3 | ||||
| 602 | Q | 30.8 | Very low | 30.8 | Very low | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | trans | -137.2 | 125.1 | 173.6 | -164.9 | 168.1 | -0.6 | 0 | 0 | 108.6 | G600 | G600-Q602 PolarHBondContact O-N 3.3Š| ||
| 603 | R | 31.1 | Very low | 31.1 | Very low | 177 Ų | 177 | 104.7 Ų | 104.7 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | trans | -73.7 | 131.3 | 175.2 | 176.6 | 174.9 | 170 | 155.1 | -0.5 | 108.4 | E605 | R603-E605 IonicContact CZ-OE1 3.35Å; R603-E605 IonicContact NE-OE1 2.76Å; R603-E605 PolarHBondContact NE-OE1 3.03Å; R603-E605 IonicContact NH2-OE1 3.01Å; R603-E605 PolarHBondContact NH2-OE1 2.89Å | ||
| 604 | I | 33.2 | Very low | 31.3 | Very low | 20 Ų | 20 | 103.6 Ų | 103.6 | 10% | 0.103 | 50% | 0.501 | C | S | . | . | trans | -129.9 | 116.5 | -175.1 | -68 | -176.8 | 0 | 0 | 0 | 107.1 | V595 T597 E608 | V595-I604 HydrophobicContact CB-CD1 4.28Å; T597-I604 HydrophobicContact CG2-CD1 4.38Å; I604-E608 VanDerWaalsContact CA-OE2 3.26Å; I604-E608 WeakPolarHBondContact CA-OE2 3.47Å; I604-E608 HydrophobicContact CG2-CB 3.49Å; I604-E608 VanDerWaalsContact CG2-CB 3.49Å; I604-E608 HydrophobicContact CG2-CG 4.32Å | ||
| 605 | E | 31.2 | Very low | 31.6 | Very low | 59 Ų | 59 | 101.2 Ų | 101.2 | 28% | 0.276 | 48% | 0.484 | S | S | . | . | trans | -78.9 | 161.6 | -175.6 | -71 | -63.9 | 155 | 0 | 0 | 111.9 | R603 Y607 E608 | R603-E605 IonicContact CZ-OE1 3.35Å; R603-E605 IonicContact NE-OE1 2.76Å; R603-E605 PolarHBondContact NE-OE1 3.03Å; R603-E605 IonicContact NH2-OE1 3.01Å; R603-E605 PolarHBondContact NH2-OE1 2.89Å; E605-Y607 PolarHBondContact O-N 3.16Å; E605-E608 PolarHBondContact N-OE2 3.4Å; E605-E608 WeakPolarHBondContact O-CB 3.44Å; E605-E608 PolarHBondContact O-N 2.99Å | ||
| 606 | P | 30.4 | Very low | 31.6 | Very low | 60 Ų | 60 | 107.4 Ų | 107.4 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.2 | 179.8 | -27.9 | 36.5 | 0 | 0 | 0 | 114.6 | Y609 | P606-Y609 PolarHBondContact O-N 3.29Š|
| 607 | Y | 33.3 | Very low | 31.8 | Very low | 144 Ų | 144 | 105.1 Ų | 105.1 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -40.3 | 172.4 | -68.7 | -87.7 | 0 | 0 | 0 | 112.1 | E605 Y609 M610 D611 | E605-Y607 PolarHBondContact O-N 3.16Å; Y607-Y609 PolarHBondContact O-N 3.32Å; Y607-Y609 VanDerWaalsContact O-N 3.1Å; Y607-M610 CarbonylContact O-C 3.52Å; Y607-M610 WeakPolarHBondContact O-CA 3.31Å; Y607-M610 PolarHBondContact O-N 2.89Å; Y607-D611 PolarHBondContact O-N 2.81Å |
| 608 | E | 34.4 | Very low | 31.9 | Very low | 75 Ų | 75 | 104.6 Ų | 104.6 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.4 | -11.1 | -176.1 | -77.5 | 172.4 | 86.2 | 0 | 0 | 114.5 | I604 E605 D611 | I604-E608 VanDerWaalsContact CA-OE2 3.26Å; I604-E608 WeakPolarHBondContact CA-OE2 3.47Å; I604-E608 HydrophobicContact CG2-CB 3.49Å; I604-E608 VanDerWaalsContact CG2-CB 3.49Å; I604-E608 HydrophobicContact CG2-CG 4.32Å; E605-E608 PolarHBondContact N-OE2 3.4Å; E605-E608 WeakPolarHBondContact O-CB 3.44Å; E605-E608 PolarHBondContact O-N 2.99Å; E608-D611 WeakPolarHBondContact CA-OD2 3.45Å |
| 609 | Y | 32.5 | Very low | 32.1 | Very low | 147 Ų | 147 | 101.2 Ų | 101.2 | 58% | 0.576 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -84.9 | -41.6 | 168.3 | -171.1 | -85.9 | 0 | 0 | 0 | 111.1 | Y573 P606 Y607 K612 A613 | Y573-Y609 PolarHBondContact OH-OH 2.94Å; P606-Y609 PolarHBondContact O-N 3.29Å; Y607-Y609 PolarHBondContact O-N 3.32Å; Y607-Y609 VanDerWaalsContact O-N 3.1Å; Y609-K612 PolarHBondContact O-N 3.22Å; Y609-A613 PolarHBondContact O-N 2.88Å |
| 610 | M | 32.7 | Very low | 32.3 | Very low | 122 Ų | 122 | 98.6 Ų | 98.6 | 60% | 0.601 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 172.1 | -65.5 | -156.3 | 69.5 | 0 | 0 | 111 | Y607 K612 A613 E614 | Y607-M610 CarbonylContact O-C 3.52Å; Y607-M610 WeakPolarHBondContact O-CA 3.31Å; Y607-M610 PolarHBondContact O-N 2.89Å; M610-K612 PolarHBondContact O-N 3.04Å; M610-K612 VanDerWaalsContact O-N 3.08Å; M610-A613 PolarHBondContact O-N 3.21Å; M610-A613 VanDerWaalsContact O-N 3.11Å; M610-E614 WeakPolarHBondContact O-CB 3.5Å; M610-E614 WeakPolarHBondContact O-CG 3.34Å; M610-E614 PolarHBondContact O-N 2.93Å |
| 611 | D | 35.2 | Very low | 32.7 | Very low | 44 Ų | 44 | 100.1 Ų | 100.1 | 24% | 0.235 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -52.2 | -28.4 | 171.3 | -84.7 | -53.5 | 0 | 0 | 0 | 113.7 | N156 Y607 E608 E615 | N156-D611 WeakPolarHBondContact ND2-CA 3.45Å; N156-D611 WeakPolarHBondContact ND2-CB 3.21Å; N156-D611 PolarHBondContact ND2-O 3.42Å; N156-D611 PolarHBondContact ND2-OD1 3.47Å; Y607-D611 PolarHBondContact O-N 2.81Å; E608-D611 WeakPolarHBondContact CA-OD2 3.45Å; D611-E615 VanDerWaalsContact O-CB 3.23Å; D611-E615 WeakPolarHBondContact O-CB 3.4Å; D611-E615 PolarHBondContact O-N 3.01Å |
| 612 | K | 33.6 | Very low | 33.1 | Very low | 117 Ų | 117 | 94.2 Ų | 94.2 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -89.2 | -32.9 | 178.3 | -76.2 | 178.8 | -178.1 | 168.7 | 0 | 113.5 | Y609 M610 E614 E615 Y616 | Y609-K612 PolarHBondContact O-N 3.22Å; M610-K612 PolarHBondContact O-N 3.04Å; M610-K612 VanDerWaalsContact O-N 3.08Å; K612-E614 VanDerWaalsContact C-N 3.3Å; K612-E615 PolarHBondContact O-N 2.98Å; K612-Y616 PolarHBondContact O-N 3.29Å; K612-Y616 VanDerWaalsContact O-N 3.16Å |
| 613 | A | 31.1 | Very low | 33.2 | Very low | 55 Ų | 55 | 94.1 Ų | 94.1 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y609 M610 L617 | Y609-A613 PolarHBondContact O-N 2.88Å; M610-A613 PolarHBondContact O-N 3.21Å; M610-A613 VanDerWaalsContact O-N 3.11Å; A613-L617 PolarHBondContact O-N 3.33Å; A613-L617 VanDerWaalsContact O-N 3.17Å |
| 614 | E | 32 | Very low | 33.5 | Very low | 92 Ų | 92 | 87.9 Ų | 87.9 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | 169.3 | -68.4 | -165.1 | 171.3 | 0 | 0 | 111.4 | M610 K612 Y616 L617 Y618 | M610-E614 WeakPolarHBondContact O-CB 3.5Å; M610-E614 WeakPolarHBondContact O-CG 3.34Å; M610-E614 PolarHBondContact O-N 2.93Å; K612-E614 VanDerWaalsContact C-N 3.3Å; E614-Y616 PolarHBondContact O-N 3.12Å; E614-Y616 VanDerWaalsContact O-N 3.14Å; E614-L617 CarbonylContact O-C 3.44Å; E614-L617 PolarHBondContact O-N 2.82Å; E614-L617 VanDerWaalsContact O-N 3.07Å; E614-Y618 WeakPolarHBondContact O-CA 3.5Å; E614-Y618 WeakPolarHBondContact O-CB 3.49Å; E614-Y618 PolarHBondContact O-N 3.17Å |
| 615 | E | 32.9 | Very low | 33.8 | Very low | 36 Ų | 36 | 89.9 Ų | 89.9 | 17% | 0.168 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -54.9 | -36.4 | 176.6 | -171.6 | 172.4 | -155.9 | 0 | 0 | 111.9 | R153 K155 D611 K612 D619 | R153-E615 IonicContact NH1-OE1 3.72Å; R153-E615 PolarHBondContact NH1-OE1 3.46Å; R153-E615 IonicContact NH1-OE2 2.67Å; K155-E615 HydrophobicContact CB-CG 4.44Å; K155-E615 WeakPolarHBondContact CD-OE1 3.16Å; K155-E615 IonicContact NZ-OE1 3.61Å; K155-E615 PolarHBondContact NZ-OE1 2.84Å; D611-E615 VanDerWaalsContact O-CB 3.23Å; D611-E615 WeakPolarHBondContact O-CB 3.4Å; D611-E615 PolarHBondContact O-N 3.01Å; K612-E615 PolarHBondContact O-N 2.98Å; E615-D619 WeakPolarHBondContact O-CB 3.42Å; E615-D619 PolarHBondContact O-N 3.07Å |
| 616 | Y | 30.9 | Very low | 34.1 | Very low | 198 Ų | 198 | 90.8 Ų | 90.8 | 78% | 0.776 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.5 | -46.5 | 173.5 | -102 | -87.7 | 0 | 0 | 0 | 113.9 | K612 E614 Y618 Y620 | K612-Y616 PolarHBondContact O-N 3.29Å; K612-Y616 VanDerWaalsContact O-N 3.16Å; E614-Y616 PolarHBondContact O-N 3.12Å; E614-Y616 VanDerWaalsContact O-N 3.14Å; Y616-Y618 PolarHBondContact O-N 2.86Å; Y616-Y620 PolarHBondContact O-N 2.86Å |
| 617 | L | 33.3 | Very low | 34.3 | Very low | 115 Ų | 115 | 92.9 Ų | 92.9 | 60% | 0.602 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.9 | -26.8 | 175.1 | -79.6 | 163.2 | 0 | 0 | 0 | 112.2 | A613 E614 N621 | A613-L617 PolarHBondContact O-N 3.33Å; A613-L617 VanDerWaalsContact O-N 3.17Å; E614-L617 CarbonylContact O-C 3.44Å; E614-L617 PolarHBondContact O-N 2.82Å; E614-L617 VanDerWaalsContact O-N 3.07Å; L617-N621 PolarHBondContact O-N 3.15Å; L617-N621 PolarHBondContact O-ND2 2.82Å |
| 618 | Y | 35.2 | Very low | 34.4 | Very low | 47 Ų | 47 | 91.1 Ų | 91.1 | 18% | 0.184 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -81.7 | -39.5 | -178.9 | -175.6 | -85.4 | 0 | 0 | 0 | 111.3 | R154 K155 M157 E614 Y616 Y620 N621 I622 | R154-Y618 WeakPolarHBondContact O-CE1 3.39Å; R154-Y618 PolarHBondContact O-OH 2.91Å; K155-Y618 VanDerWaalsContact C-CE1 3.42Å; K155-Y618 WeakPolarHBondContact O-CD1 3.12Å; K155-Y618 WeakPolarHBondContact O-CE1 3.44Å; M157-Y618 HydrophobicContact CB-CE2 3.95Å; M157-Y618 WeakPolarHBondContact CB-OH 3.15Å; M157-Y618 VanDerWaalsContact CG-OH 3.24Å; M157-Y618 WeakPolarHBondContact CG-OH 3.28Å; M157-Y618 PolarHBondContact SD-OH 3.14Å; E614-Y618 WeakPolarHBondContact O-CA 3.5Å; E614-Y618 WeakPolarHBondContact O-CB 3.49Å; E614-Y618 PolarHBondContact O-N 3.17Å; Y616-Y618 PolarHBondContact O-N 2.86Å; Y618-Y620 VanDerWaalsContact C-N 3.27Å; Y618-Y620 PolarHBondContact O-N 3.39Å; Y618-N621 CarbonylContact O-C 3.43Å; Y618-N621 PolarHBondContact O-N 3.27Å; Y618-N621 VanDerWaalsContact O-N 3.15Å; Y618-I622 HydrophobicContact CD1-CD1 3.91Å; Y618-I622 HydrophobicContact CD1-CG1 4.02Å; Y618-I622 HydrophobicContact CE1-CD1 3.22Å; Y618-I622 HydrophobicContact CE1-CG1 3.69Å; Y618-I622 WeakPolarHBondContact O-CB 3.48Å; Y618-I622 PolarHBondContact O-N 2.78Å |
| 619 | D | 33 | Very low | 34.5 | Very low | 61 Ų | 61 | 92.9 Ų | 92.9 | 33% | 0.326 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -33.8 | 170.5 | -83.7 | -5.3 | 0 | 0 | 0 | 111.6 | K155 E615 I622 M623 | K155-D619 WeakPolarHBondContact CE-OD1 3.47Å; K155-D619 IonicContact NZ-OD1 3.56Å; K155-D619 PolarHBondContact NZ-OD1 2.86Å; K155-D619 IonicContact NZ-OD2 3.64Å; K155-D619 PolarHBondContact NZ-OD2 3.42Å; E615-D619 WeakPolarHBondContact O-CB 3.42Å; E615-D619 PolarHBondContact O-N 3.07Å; D619-I622 PolarHBondContact O-N 3.38Å; D619-M623 PolarHBondContact O-N 3.44Å |
| 620 | Y | 35.1 | Very low | 34.7 | Very low | 153 Ų | 153 | 91.6 Ų | 91.6 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | 170.4 | -175.9 | -91.9 | 0 | 0 | 0 | 112.5 | Y616 Y618 T624 | Y616-Y620 PolarHBondContact O-N 2.86Å; Y618-Y620 VanDerWaalsContact C-N 3.27Å; Y618-Y620 PolarHBondContact O-N 3.39Å; Y620-T624 PolarHBondContact O-N 3.33Å; Y620-T624 VanDerWaalsContact O-N 3.1Å; Y620-T624 PolarHBondContact O-OG1 2.95Å |
| 621 | N | 37.3 | Very low | 34.8 | Very low | 77 Ų | 77 | 94.7 Ų | 94.7 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.5 | -31.4 | 174.7 | -83.6 | -73.8 | 0 | 0 | 0 | 112.8 | L617 Y618 T624 N625 | L617-N621 PolarHBondContact O-N 3.15Å; L617-N621 PolarHBondContact O-ND2 2.82Å; Y618-N621 CarbonylContact O-C 3.43Å; Y618-N621 PolarHBondContact O-N 3.27Å; Y618-N621 VanDerWaalsContact O-N 3.15Å; N621-T624 WeakPolarHBondContact CA-OG1 3.35Å; N621-T624 PolarHBondContact O-OG1 2.77Å; N621-N625 WeakPolarHBondContact O-CB 3.47Å; N621-N625 PolarHBondContact O-N 2.6Å; N621-N625 PolarHBondContact O-ND2 2.88Å; N621-N625 VanDerWaalsContact O-ND2 3.13Å |
| 622 | I | 35.1 | Very low | 34.8 | Very low | 56 Ų | 56 | 100.2 Ų | 100.2 | 29% | 0.287 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.6 | -45.5 | 172.8 | -85.9 | -162.5 | 0 | 0 | 0 | 110.5 | Y618 D619 T624 N625 E626 | Y618-I622 HydrophobicContact CD1-CD1 3.91Å; Y618-I622 HydrophobicContact CD1-CG1 4.02Å; Y618-I622 HydrophobicContact CE1-CD1 3.22Å; Y618-I622 HydrophobicContact CE1-CG1 3.69Å; Y618-I622 WeakPolarHBondContact O-CB 3.48Å; Y618-I622 PolarHBondContact O-N 2.78Å; D619-I622 PolarHBondContact O-N 3.38Å; I622-T624 VanDerWaalsContact C-N 3.28Å; I622-T624 PolarHBondContact O-N 3.16Å; I622-N625 PolarHBondContact O-N 3.01Å; I622-N625 VanDerWaalsContact O-N 3.15Å; I622-E626 HydrophobicContact CG2-CG 4.09Å; I622-E626 WeakPolarHBondContact O-CB 3.23Å; I622-E626 WeakPolarHBondContact O-CG 3.21Å; I622-E626 PolarHBondContact O-N 3.44Å |
| 623 | M | 34.5 | Very low | 34.6 | Very low | 122 Ų | 122 | 103.7 Ų | 103.7 | 60% | 0.601 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -56.5 | -45.4 | 174.6 | -81.3 | -170.1 | -76.8 | 0 | 0 | 111.3 | D619 L627 | D619-M623 PolarHBondContact O-N 3.44Å; M623-L627 WeakPolarHBondContact O-CB 3.3Å; M623-L627 WeakPolarHBondContact O-CD1 3.34Å; M623-L627 WeakPolarHBondContact O-CG 3.4Å; M623-L627 PolarHBondContact O-N 2.92Å |
| 624 | T | 36.8 | Very low | 34.5 | Very low | 45 Ų | 45 | 104.3 Ų | 104.3 | 28% | 0.276 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.4 | -23.4 | 178.3 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | Y620 N621 I622 K628 | Y620-T624 PolarHBondContact O-N 3.33Å; Y620-T624 VanDerWaalsContact O-N 3.1Å; Y620-T624 PolarHBondContact O-OG1 2.95Å; N621-T624 WeakPolarHBondContact CA-OG1 3.35Å; N621-T624 PolarHBondContact O-OG1 2.77Å; I622-T624 VanDerWaalsContact C-N 3.28Å; I622-T624 PolarHBondContact O-N 3.16Å; T624-K628 WeakPolarHBondContact O-CD 3.11Å; T624-K628 WeakPolarHBondContact O-CE 3.46Å; T624-K628 VanDerWaalsContact O-CG 3.28Å; T624-K628 WeakPolarHBondContact O-CG 3.41Å; T624-K628 PolarHBondContact O-N 3.32Å |
| 625 | N | 38.8 | Very low | 34.4 | Very low | 62 Ų | 62 | 106 Ų | 106 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -89 | -31.1 | 175.8 | -72.1 | -25.6 | 0 | 0 | 0 | 113.7 | N621 I622 K628 K629 | N621-N625 WeakPolarHBondContact O-CB 3.47Å; N621-N625 PolarHBondContact O-N 2.6Å; N621-N625 PolarHBondContact O-ND2 2.88Å; N621-N625 VanDerWaalsContact O-ND2 3.13Å; I622-N625 PolarHBondContact O-N 3.01Å; I622-N625 VanDerWaalsContact O-N 3.15Å; N625-K628 WeakPolarHBondContact O-CB 3.47Å; N625-K628 PolarHBondContact O-N 3.11Å; N625-K628 PolarHBondContact OD1-NZ 3.01Å; N625-K629 WeakPolarHBondContact O-CG 3.48Å; N625-K629 PolarHBondContact O-N 2.89Å |
| 626 | E | 37.3 | Very low | 34.3 | Very low | 78 Ų | 78 | 110.6 Ų | 110.6 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 168.6 | -67.7 | -54.3 | 137.7 | 0 | 0 | 110.6 | I622 K628 K629 I630 | I622-E626 HydrophobicContact CG2-CG 4.09Å; I622-E626 WeakPolarHBondContact O-CB 3.23Å; I622-E626 WeakPolarHBondContact O-CG 3.21Å; I622-E626 PolarHBondContact O-N 3.44Å; E626-K628 PolarHBondContact O-N 3.15Å; E626-K629 PolarHBondContact O-N 2.96Å; E626-K629 VanDerWaalsContact O-N 3.15Å; E626-K629 WeakPolarHBondContact OE1-CD 3.36Å; E626-K629 WeakPolarHBondContact OE1-CE 3.48Å; E626-K629 IonicContact OE1-NZ 3.67Å; E626-K629 PolarHBondContact OE1-NZ 2.79Å; E626-K629 WeakPolarHBondContact OE2-CD 3.42Å; E626-I630 WeakPolarHBondContact O-CB 3.19Å; E626-I630 WeakPolarHBondContact O-CD1 3.44Å; E626-I630 WeakPolarHBondContact O-CG1 3.42Å; E626-I630 PolarHBondContact O-N 2.81Å |
| 627 | L | 35.2 | Very low | 34.2 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.6 | -36.4 | 167.7 | -77.5 | 169.1 | 0 | 0 | 0 | 112.2 | M623 Y631 | M623-L627 WeakPolarHBondContact O-CB 3.3Å; M623-L627 WeakPolarHBondContact O-CD1 3.34Å; M623-L627 WeakPolarHBondContact O-CG 3.4Å; M623-L627 PolarHBondContact O-N 2.92Å; L627-Y631 VanDerWaalsContact O-CD2 3.28Å; L627-Y631 WeakPolarHBondContact O-CD2 3.28Å |
| 628 | K | 35.2 | Very low | 34.2 | Very low | 106 Ų | 106 | 109 Ų | 109 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70 | -48.2 | 171.4 | -65.9 | 161.4 | -155 | 158.7 | 0 | 111.7 | T624 N625 E626 I630 Y631 F632 | T624-K628 WeakPolarHBondContact O-CD 3.11Å; T624-K628 WeakPolarHBondContact O-CE 3.46Å; T624-K628 VanDerWaalsContact O-CG 3.28Å; T624-K628 WeakPolarHBondContact O-CG 3.41Å; T624-K628 PolarHBondContact O-N 3.32Å; N625-K628 WeakPolarHBondContact O-CB 3.47Å; N625-K628 PolarHBondContact O-N 3.11Å; N625-K628 PolarHBondContact OD1-NZ 3.01Å; E626-K628 PolarHBondContact O-N 3.15Å; K628-I630 PolarHBondContact O-N 3.49Å; K628-Y631 PolarHBondContact O-N 2.77Å; K628-F632 WeakPolarHBondContact O-CB 3.21Å; K628-F632 VanDerWaalsContact O-CD2 3.31Å; K628-F632 WeakPolarHBondContact O-CD2 3.39Å; K628-F632 PolarHBondContact O-N 3.33Å |
| 629 | K | 36.4 | Very low | 34.3 | Very low | 113 Ų | 113 | 112 Ų | 112 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.1 | -28.3 | 179.9 | -70.7 | 165.1 | -177.9 | 179.2 | 0 | 113.5 | N625 E626 | N625-K629 WeakPolarHBondContact O-CG 3.48Å; N625-K629 PolarHBondContact O-N 2.89Å; E626-K629 PolarHBondContact O-N 2.96Å; E626-K629 VanDerWaalsContact O-N 3.15Å; E626-K629 WeakPolarHBondContact OE1-CD 3.36Å; E626-K629 WeakPolarHBondContact OE1-CE 3.48Å; E626-K629 IonicContact OE1-NZ 3.67Å; E626-K629 PolarHBondContact OE1-NZ 2.79Å; E626-K629 WeakPolarHBondContact OE2-CD 3.42Å |
| 630 | I | 37.8 | Very low | 34.5 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 62% | 0.615 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.8 | -34.1 | 175.3 | -71.8 | 164.3 | 0 | 0 | 0 | 111.7 | E626 K628 | E626-I630 WeakPolarHBondContact O-CB 3.19Å; E626-I630 WeakPolarHBondContact O-CD1 3.44Å; E626-I630 WeakPolarHBondContact O-CG1 3.42Å; E626-I630 PolarHBondContact O-N 2.81Å; K628-I630 PolarHBondContact O-N 3.49Å |
| 631 | Y | 33.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 112.2 Ų | 112.2 | 73% | 0.729 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -94.3 | -13.3 | -176.8 | -83.3 | -102.4 | 0 | 0 | 0 | 114.8 | L627 K628 | L627-Y631 VanDerWaalsContact O-CD2 3.28Å; L627-Y631 WeakPolarHBondContact O-CD2 3.28Å; K628-Y631 PolarHBondContact O-N 2.77Å |
| 632 | F | 36.6 | Very low | 34.4 | Very low | 161 Ų | 161 | 113.7 Ų | 113.7 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | trans | -116.5 | 26.2 | -171.2 | -77.2 | -99.4 | 0 | 0 | 0 | 114.7 | K628 | K628-F632 WeakPolarHBondContact O-CB 3.21Å; K628-F632 VanDerWaalsContact O-CD2 3.31Å; K628-F632 WeakPolarHBondContact O-CD2 3.39Å; K628-F632 PolarHBondContact O-N 3.33Å | ||
| 633 | K | 29.3 | Very low | 34.7 | Very low | 190 Ų | 190 | 115.2 Ų | 115.2 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | trans | -98.6 | 92.6 | 176.5 | -87.8 | -170.9 | 173.8 | -174 | 0 | 113.4 | ||||
| 634 | G | 28.6 | Very low | 34.9 | Very low | 67 Ų | 67 | 114.7 Ų | 114.7 | 69% | 0.691 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 124.5 | 146.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 635 | V | 29.4 | Very low | 35 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 78% | 0.782 | 61% | 0.605 | S | S | * | * | trans | 67.9 | 114.9 | 173.6 | -168.5 | 0 | 0 | 0 | 0 | 116.3 | K637 | V635-K637 PolarHBondContact O-N 2.89Š| ||
| 636 | P | 31.3 | Very low | 35 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 86% | 0.857 | 61% | 0.61 | S | S | * | * | trans | -86 | 83.8 | 175.3 | 35 | -33.8 | 0 | 0 | 0 | 112 | ||||
| 637 | K | 28.9 | Very low | 35.3 | Very low | 160 Ų | 160 | 121.5 Ų | 121.5 | 70% | 0.696 | 62% | 0.616 | S | S | * | * | trans | -111.9 | 134.8 | 156.7 | -91.2 | -172.9 | 173.6 | -178.6 | 0 | 109.4 | V635 F639 | V635-K637 PolarHBondContact O-N 2.89Å; K637-F639 PolarHBondContact O-N 3.48Å | ||
| 638 | P | 33.7 | Very low | 35.6 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129.4 | 165.4 | 29.8 | -31.7 | 0 | 0 | 0 | 108.4 | T640 | P638-T640 PolarHBondContact O-N 2.86Š|
| 639 | F | 35.6 | Very low | 35.9 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 48% | 0.478 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 129.4 | 172.6 | -63.2 | -75.3 | 0 | 0 | 0 | 109.8 | K637 E643 Q644 I647 | K637-F639 PolarHBondContact O-N 3.48Å; F639-E643 HydrophobicContact CB-CB 4.07Å; F639-E643 HydrophobicContact CD1-CB 4.11Å; F639-Q644 HydrophobicContact CB-CG 3.72Å; F639-Q644 PolarHBondContact O-NE2 2.97Å; F639-I647 HydrophobicContact CD1-CD1 4.4Å; F639-I647 HydrophobicContact CE1-CD1 4.34Å |
| 640 | T | 37.5 | Very low | 36.2 | Very low | 75 Ų | 75 | 118 Ų | 118 | 46% | 0.46 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 157.6 | 167.7 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | P638 V642 E643 Q644 | P638-T640 PolarHBondContact O-N 2.86Å; T640-V642 PolarHBondContact O-N 3.11Å; T640-E643 WeakPolarHBondContact CB-OE2 3.32Å; T640-E643 WeakPolarHBondContact CG2-OE2 3.42Å; T640-E643 PolarHBondContact N-OE2 3.4Å; T640-E643 PolarHBondContact O-N 3.34Å; T640-E643 VanDerWaalsContact O-N 3.09Å; T640-E643 WeakPolarHBondContact OG1-CG 3.29Å; T640-E643 PolarHBondContact OG1-N 2.76Å; T640-E643 PolarHBondContact OG1-OE2 3.4Å; T640-Q644 WeakPolarHBondContact O-CG 3.43Å; T640-Q644 PolarHBondContact O-N 3.24Å |
| 641 | E | 34 | Very low | 36.4 | Very low | 145 Ų | 145 | 118.1 Ų | 118.1 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.1 | -38.4 | 175.1 | -71.6 | -178.4 | 125.1 | 0 | 0 | 111 | E643 Q644 Y645 | E641-E643 PolarHBondContact O-N 2.96Å; E641-Q644 PolarHBondContact O-N 2.76Å; E641-Q644 VanDerWaalsContact O-N 3.15Å; E641-Y645 HydrophobicContact CB-CD2 4.25Å; E641-Y645 HydrophobicContact CB-CE2 4.31Å; E641-Y645 WeakPolarHBondContact O-CB 3.32Å; E641-Y645 WeakPolarHBondContact O-CD2 3.36Å; E641-Y645 PolarHBondContact O-N 2.91Å |
| 642 | V | 35.9 | Very low | 36.7 | Very low | 108 Ų | 108 | 113.2 Ų | 113.2 | 66% | 0.655 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.8 | -42.9 | 176 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | T640 T646 | T640-V642 PolarHBondContact O-N 3.11Å; V642-T646 VanDerWaalsContact O-CB 3.25Å; V642-T646 WeakPolarHBondContact O-CB 3.46Å; V642-T646 PolarHBondContact O-N 2.99Å; V642-T646 PolarHBondContact O-OG1 3.06Å |
| 643 | E | 41.7 | Very low | 36.9 | Very low | 87 Ų | 87 | 108.1 Ų | 108.1 | 41% | 0.407 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.1 | -40.2 | 175.3 | -72.5 | 163 | 113.3 | 0 | 0 | 111.8 | F639 T640 E641 T646 I647 | F639-E643 HydrophobicContact CB-CB 4.07Å; F639-E643 HydrophobicContact CD1-CB 4.11Å; T640-E643 WeakPolarHBondContact CB-OE2 3.32Å; T640-E643 WeakPolarHBondContact CG2-OE2 3.42Å; T640-E643 PolarHBondContact N-OE2 3.4Å; T640-E643 PolarHBondContact O-N 3.34Å; T640-E643 VanDerWaalsContact O-N 3.09Å; T640-E643 WeakPolarHBondContact OG1-CG 3.29Å; T640-E643 PolarHBondContact OG1-N 2.76Å; T640-E643 PolarHBondContact OG1-OE2 3.4Å; E641-E643 PolarHBondContact O-N 2.96Å; E643-T646 PolarHBondContact O-N 2.74Å; E643-I647 WeakPolarHBondContact O-CB 3.39Å; E643-I647 WeakPolarHBondContact O-CD1 3.11Å; E643-I647 VanDerWaalsContact O-CG1 3.27Å; E643-I647 WeakPolarHBondContact O-CG1 3.04Å; E643-I647 PolarHBondContact O-N 3.47Å |
| 644 | Q | 38 | Very low | 37.4 | Very low | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.523 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -45.4 | 176.3 | -64 | -179.9 | 52 | 0 | 0 | 111.5 | F639 T640 E641 I647 L648 | F639-Q644 HydrophobicContact CB-CG 3.72Å; F639-Q644 PolarHBondContact O-NE2 2.97Å; T640-Q644 WeakPolarHBondContact O-CG 3.43Å; T640-Q644 PolarHBondContact O-N 3.24Å; E641-Q644 PolarHBondContact O-N 2.76Å; E641-Q644 VanDerWaalsContact O-N 3.15Å; Q644-I647 PolarHBondContact O-N 3.45Å; Q644-L648 WeakPolarHBondContact O-CB 3.36Å; Q644-L648 PolarHBondContact O-N 2.67Å |
| 645 | Y | 39.4 | Very low | 37.9 | Very low | 160 Ų | 160 | 110.3 Ų | 110.3 | 63% | 0.627 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.4 | -37.5 | 173.5 | -81.1 | -66.7 | 0 | 0 | 0 | 112.2 | E641 L648 A649 | E641-Y645 HydrophobicContact CB-CD2 4.25Å; E641-Y645 HydrophobicContact CB-CE2 4.31Å; E641-Y645 WeakPolarHBondContact O-CB 3.32Å; E641-Y645 WeakPolarHBondContact O-CD2 3.36Å; E641-Y645 PolarHBondContact O-N 2.91Å; Y645-L648 PolarHBondContact O-N 3.22Å; Y645-A649 VanDerWaalsContact O-CB 3.23Å; Y645-A649 WeakPolarHBondContact O-CB 3.5Å; Y645-A649 PolarHBondContact O-N 3.14Å |
| 646 | T | 40.3 | Very low | 38.4 | Very low | 73 Ų | 73 | 106.7 Ų | 106.7 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.6 | -41.8 | 176.6 | -62 | 0 | 0 | 0 | 0 | 111.5 | V642 E643 L648 A649 L650 | V642-T646 VanDerWaalsContact O-CB 3.25Å; V642-T646 WeakPolarHBondContact O-CB 3.46Å; V642-T646 PolarHBondContact O-N 2.99Å; V642-T646 PolarHBondContact O-OG1 3.06Å; E643-T646 PolarHBondContact O-N 2.74Å; T646-L648 VanDerWaalsContact C-N 3.35Å; T646-A649 PolarHBondContact O-N 3.13Å; T646-L650 HydrophobicContact CG2-CD1 4.2Å; T646-L650 WeakPolarHBondContact O-CB 3.21Å; T646-L650 PolarHBondContact O-N 2.7Å |
| 647 | I | 41.6 | Very low | 38.8 | Very low | 95 Ų | 95 | 106.1 Ų | 106.1 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 173.9 | -70 | 164.1 | 0 | 0 | 0 | 110.5 | F639 E643 Q644 L650 H651 | F639-I647 HydrophobicContact CD1-CD1 4.4Å; F639-I647 HydrophobicContact CE1-CD1 4.34Å; E643-I647 WeakPolarHBondContact O-CB 3.39Å; E643-I647 WeakPolarHBondContact O-CD1 3.11Å; E643-I647 VanDerWaalsContact O-CG1 3.27Å; E643-I647 WeakPolarHBondContact O-CG1 3.04Å; E643-I647 PolarHBondContact O-N 3.47Å; Q644-I647 PolarHBondContact O-N 3.45Å; I647-L650 PolarHBondContact O-N 3.15Å; I647-H651 WeakPolarHBondContact O-CB 3.43Å; I647-H651 PolarHBondContact O-N 2.85Å |
| 648 | L | 42.1 | Very low | 39.2 | Very low | 95 Ų | 95 | 101.3 Ų | 101.3 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.6 | -158.4 | 74.5 | 0 | 0 | 0 | 112 | Q644 Y645 T646 H651 N652 | Q644-L648 WeakPolarHBondContact O-CB 3.36Å; Q644-L648 PolarHBondContact O-N 2.67Å; Y645-L648 PolarHBondContact O-N 3.22Å; T646-L648 VanDerWaalsContact C-N 3.35Å; L648-H651 PolarHBondContact O-N 3.38Å; L648-N652 WeakPolarHBondContact O-CB 2.92Å; L648-N652 VanDerWaalsContact O-CG 3.23Å; L648-N652 PolarHBondContact O-N 3.07Å |
| 649 | A | 41.9 | Very low | 39.2 | Very low | 58 Ų | 58 | 99.9 Ų | 99.9 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y645 T646 S653 | Y645-A649 VanDerWaalsContact O-CB 3.23Å; Y645-A649 WeakPolarHBondContact O-CB 3.5Å; Y645-A649 PolarHBondContact O-N 3.14Å; T646-A649 PolarHBondContact O-N 3.13Å; A649-S653 WeakPolarHBondContact O-CB 3.42Å; A649-S653 PolarHBondContact O-N 2.75Å |
| 650 | L | 42.5 | Very low | 39.2 | Very low | 96 Ų | 96 | 97.9 Ų | 97.9 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 171.3 | -85.9 | 163.6 | 0 | 0 | 0 | 111.6 | T646 I647 N652 S653 Y654 | T646-L650 HydrophobicContact CG2-CD1 4.2Å; T646-L650 WeakPolarHBondContact O-CB 3.21Å; T646-L650 PolarHBondContact O-N 2.7Å; I647-L650 PolarHBondContact O-N 3.15Å; L650-N652 PolarHBondContact O-N 3.33Å; L650-S653 PolarHBondContact O-N 2.95Å; L650-Y654 HydrophobicContact CD2-CE2 4.47Å; L650-Y654 WeakPolarHBondContact O-CB 3.13Å; L650-Y654 WeakPolarHBondContact O-CD2 3.41Å; L650-Y654 PolarHBondContact O-N 3.41Å |
| 651 | H | 41.9 | Very low | 39 | Very low | 124 Ų | 124 | 101.6 Ų | 101.6 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 176.8 | -172.1 | 73.6 | 0 | 0 | 0 | 111.5 | I647 L648 Y654 R655 | I647-H651 WeakPolarHBondContact O-CB 3.43Å; I647-H651 PolarHBondContact O-N 2.85Å; L648-H651 PolarHBondContact O-N 3.38Å; H651-Y654 PolarHBondContact O-N 2.84Å; H651-R655 VanDerWaalsContact O-CB 3.25Å; H651-R655 WeakPolarHBondContact O-CB 3.4Å; H651-R655 PolarHBondContact O-N 3.44Å |
| 652 | N | 40.5 | Very low | 38.9 | Very low | 83 Ų | 83 | 96.4 Ų | 96.4 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 177.9 | -68.7 | -11.8 | 0 | 0 | 0 | 112.4 | L648 L650 R655 A656 | L648-N652 WeakPolarHBondContact O-CB 2.92Å; L648-N652 VanDerWaalsContact O-CG 3.23Å; L648-N652 PolarHBondContact O-N 3.07Å; L650-N652 PolarHBondContact O-N 3.33Å; N652-R655 PolarHBondContact O-N 3.32Å; N652-A656 VanDerWaalsContact O-CB 3.31Å; N652-A656 WeakPolarHBondContact O-CB 3.18Å; N652-A656 PolarHBondContact O-N 3.15Å |
| 653 | S | 39.7 | Very low | 38.8 | Very low | 54 Ų | 54 | 98 Ų | 98 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | A649 L650 R655 Q657 | A649-S653 WeakPolarHBondContact O-CB 3.42Å; A649-S653 PolarHBondContact O-N 2.75Å; L650-S653 PolarHBondContact O-N 2.95Å; S653-R655 VanDerWaalsContact C-N 3.33Å; S653-Q657 VanDerWaalsContact O-CB 3.29Å; S653-Q657 WeakPolarHBondContact O-CB 3.41Å; S653-Q657 VanDerWaalsContact O-CG 3.24Å; S653-Q657 WeakPolarHBondContact O-CG 3.28Å; S653-Q657 PolarHBondContact O-N 2.79Å; S653-Q657 PolarHBondContact O-NE2 2.71Å; S653-Q657 PolarHBondContact OG-NE2 3.27Å; S653-Q657 VanDerWaalsContact OG-NE2 3.13Å |
| 654 | Y | 40.9 | Very low | 38.3 | Very low | 164 Ų | 164 | 97.9 Ų | 97.9 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.1 | -36.2 | 172.1 | -93.1 | -74 | 0 | 0 | 0 | 112.4 | L650 H651 Q657 A658 | L650-Y654 HydrophobicContact CD2-CE2 4.47Å; L650-Y654 WeakPolarHBondContact O-CB 3.13Å; L650-Y654 WeakPolarHBondContact O-CD2 3.41Å; L650-Y654 PolarHBondContact O-N 3.41Å; H651-Y654 PolarHBondContact O-N 2.84Å; Y654-Q657 PolarHBondContact O-N 2.91Å; Y654-A658 PolarHBondContact O-N 2.89Å |
| 655 | R | 39.9 | Very low | 38 | Very low | 139 Ų | 139 | 96.3 Ų | 96.3 | 53% | 0.525 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -51.1 | 175.6 | -178.9 | 175.6 | 175.6 | 170.6 | 1.6 | 111.6 | H651 N652 S653 Q657 A658 E659 | H651-R655 VanDerWaalsContact O-CB 3.25Å; H651-R655 WeakPolarHBondContact O-CB 3.4Å; H651-R655 PolarHBondContact O-N 3.44Å; N652-R655 PolarHBondContact O-N 3.32Å; S653-R655 VanDerWaalsContact C-N 3.33Å; R655-Q657 VanDerWaalsContact C-N 3.26Å; R655-Q657 PolarHBondContact O-N 3.17Å; R655-A658 WeakPolarHBondContact O-CA 3.44Å; R655-A658 WeakPolarHBondContact O-CB 3.22Å; R655-A658 PolarHBondContact O-N 3.1Å; R655-E659 HydrophobicContact CG-CG 4.48Å; R655-E659 WeakPolarHBondContact CG-OE2 3.27Å; R655-E659 IonicContact CZ-OE1 2.8Å; R655-E659 IonicContact NE-OE1 2.6Å; R655-E659 PolarHBondContact NE-OE1 3.03Å; R655-E659 IonicContact NE-OE2 3.65Å; R655-E659 IonicContact NH2-OE1 2.88Å; R655-E659 PolarHBondContact NH2-OE1 2.87Å; R655-E659 WeakPolarHBondContact O-CG 3.41Å; R655-E659 PolarHBondContact O-N 3.35Å |
| 656 | A | 39.9 | Very low | 37.6 | Very low | 52 Ų | 52 | 93.7 Ų | 93.7 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -34.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N652 A658 A660 | N652-A656 VanDerWaalsContact O-CB 3.31Å; N652-A656 WeakPolarHBondContact O-CB 3.18Å; N652-A656 PolarHBondContact O-N 3.15Å; A656-A658 VanDerWaalsContact C-N 3.3Å; A656-A658 PolarHBondContact O-N 3.33Å; A656-A660 WeakPolarHBondContact O-CB 3.34Å; A656-A660 PolarHBondContact O-N 3Å |
| 657 | Q | 39.6 | Very low | 37.1 | Very low | 120 Ų | 120 | 93.6 Ų | 93.6 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74 | -14.4 | 172.7 | -75.8 | 175.3 | 57.8 | 0 | 0 | 114.4 | S653 Y654 R655 K661 | S653-Q657 VanDerWaalsContact O-CB 3.29Å; S653-Q657 WeakPolarHBondContact O-CB 3.41Å; S653-Q657 VanDerWaalsContact O-CG 3.24Å; S653-Q657 WeakPolarHBondContact O-CG 3.28Å; S653-Q657 PolarHBondContact O-N 2.79Å; S653-Q657 PolarHBondContact O-NE2 2.71Å; S653-Q657 PolarHBondContact OG-NE2 3.27Å; S653-Q657 VanDerWaalsContact OG-NE2 3.13Å; Y654-Q657 PolarHBondContact O-N 2.91Å; R655-Q657 VanDerWaalsContact C-N 3.26Å; R655-Q657 PolarHBondContact O-N 3.17Å; Q657-K661 WeakPolarHBondContact O-CB 3.28Å |
| 658 | A | 36 | Very low | 36.4 | Very low | 59 Ų | 59 | 98.1 Ų | 98.1 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -89.8 | -39.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y654 R655 A656 K661 V662 | Y654-A658 PolarHBondContact O-N 2.89Å; R655-A658 WeakPolarHBondContact O-CA 3.44Å; R655-A658 WeakPolarHBondContact O-CB 3.22Å; R655-A658 PolarHBondContact O-N 3.1Å; A656-A658 VanDerWaalsContact C-N 3.3Å; A656-A658 PolarHBondContact O-N 3.33Å; A658-K661 PolarHBondContact O-N 3.31Å; A658-V662 PolarHBondContact O-N 2.64Å |
| 659 | E | 34.8 | Very low | 35.7 | Very low | 90 Ų | 90 | 99.4 Ų | 99.4 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.6 | -47.3 | 178 | -69.6 | 165.4 | 164.1 | 0 | 0 | 110.8 | R655 K661 V662 E663 | R655-E659 HydrophobicContact CG-CG 4.48Å; R655-E659 WeakPolarHBondContact CG-OE2 3.27Å; R655-E659 IonicContact CZ-OE1 2.8Å; R655-E659 IonicContact NE-OE1 2.6Å; R655-E659 PolarHBondContact NE-OE1 3.03Å; R655-E659 IonicContact NE-OE2 3.65Å; R655-E659 IonicContact NH2-OE1 2.88Å; R655-E659 PolarHBondContact NH2-OE1 2.87Å; R655-E659 WeakPolarHBondContact O-CG 3.41Å; R655-E659 PolarHBondContact O-N 3.35Å; E659-K661 PolarHBondContact O-N 3.41Å; E659-K661 VanDerWaalsContact O-N 3.14Å; E659-V662 VanDerWaalsContact O-CB 3.3Å; E659-V662 WeakPolarHBondContact O-CB 3.48Å; E659-V662 PolarHBondContact O-N 3.27Å; E659-E663 PolarHBondContact O-N 3.49Å |
| 660 | A | 34.8 | Very low | 35 | Very low | 67 Ų | 67 | 104.3 Ų | 104.3 | 55% | 0.554 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -11.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A656 | A656-A660 WeakPolarHBondContact O-CB 3.34Å; A656-A660 PolarHBondContact O-N 3Å |
| 661 | K | 32.8 | Very low | 34.2 | Very low | 153 Ų | 153 | 105.7 Ų | 105.7 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -0.7 | 171.9 | -131.6 | -176.4 | -174.8 | -172.3 | 0 | 113.4 | Q657 A658 E659 | Q657-K661 WeakPolarHBondContact O-CB 3.28Å; A658-K661 PolarHBondContact O-N 3.31Å; E659-K661 PolarHBondContact O-N 3.41Å; E659-K661 VanDerWaalsContact O-N 3.14Å |
| 662 | V | 33.7 | Very low | 33.4 | Very low | 36 Ų | 36 | 110.3 Ų | 110.3 | 22% | 0.218 | 60% | 0.602 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -99.2 | -21.7 | 174.7 | 146.4 | 0 | 0 | 0 | 0 | 110.5 | K555 A658 E659 | K555-V662 HydrophobicContact CD-CG1 4.14Å; K555-V662 WeakPolarHBondContact CE-O 3.4Å; K555-V662 HydrophobicContact CG-CG1 3.89Å; K555-V662 PolarHBondContact NZ-O 3.02Å; A658-V662 PolarHBondContact O-N 2.64Å; E659-V662 VanDerWaalsContact O-CB 3.3Å; E659-V662 WeakPolarHBondContact O-CB 3.48Å; E659-V662 PolarHBondContact O-N 3.27Å |
| 663 | E | 32.4 | Very low | 32.7 | Very low | 141 Ų | 141 | 115 Ų | 115 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -94.2 | 0.3 | -176.1 | -65.4 | -178.7 | 143.4 | 0 | 0 | 115.2 | E659 | E659-E663 PolarHBondContact O-N 3.49Š|
| 664 | S | 30.9 | Very low | 32 | Very low | 84 Ų | 84 | 116 Ų | 116 | 59% | 0.587 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -87.2 | -7.2 | -175 | 57.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 665 | D | 31.6 | Very low | 31.4 | Very low | 80 Ų | 80 | 115.9 Ų | 115.9 | 43% | 0.428 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -119 | 118.9 | -176.6 | -64.3 | -56.3 | 0 | 0 | 0 | 111.2 | L554 | L554-D665 HydrophobicContact CD2-CB 4.28Š|
| 666 | A | 30.8 | Very low | 30.6 | Very low | 104 Ų | 104 | 118 Ų | 118 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | trans | 59.3 | 136.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 667 | G | 29.8 | Very low | 29.9 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 69% | 0.689 | S | S | * | * | cis | 163.3 | 146.9 | 1.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 668 | E | 27.5 | Very low | 29.1 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.883 | 70% | 0.699 | S | S | * | * | trans | -57.1 | 156.4 | -175.4 | -56.7 | 169.7 | 121.9 | 0 | 0 | 111.8 | ||||
| 669 | T | 27.3 | Very low | 28.6 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | cis | -169.9 | 169.3 | 43.9 | -33.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 670 | I | 28.4 | Very low | 28.2 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | 83.6 | 132.5 | 160.6 | -55.8 | -179.6 | 0 | 0 | 0 | 118.4 | ||||
| 671 | V | 25.4 | Very low | 27.9 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 76% | 0.758 | 75% | 0.745 | S | S | * | * | trans | -117.2 | 142.8 | -173.9 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 672 | R | 25.4 | Very low | 27.7 | Very low | 220 Ų | 220 | 134.2 Ų | 134.2 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | trans | 178.6 | 125.4 | 130.9 | -98.9 | 165.4 | -171.4 | -163.5 | 1.4 | 115.8 | ||||
| 673 | Q | 25.4 | Very low | 27.6 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | 26.8 | 128.5 | 139.9 | -63.8 | 168.3 | -59.7 | 0 | 0 | 120.7 | ||||
| 674 | G | 24.8 | Very low | 27.4 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -178.9 | 86.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 675 | N | 27.4 | Very low | 27.4 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 31 | 122.1 | 165.8 | -63.2 | 8.5 | 0 | 0 | 0 | 121.4 | ||||
| 676 | M | 23.4 | Very low | 27.3 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -81.7 | 149.9 | 148.4 | -68.8 | 177.7 | -75.6 | 0 | 0 | 110.1 | ||||
| 677 | E | 24.9 | Very low | 27.2 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -158 | 160.1 | 151.9 | -128.4 | 166.2 | -138.6 | 0 | 0 | 111.9 | ||||
| 678 | C | 24.6 | Very low | 27.3 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 62.6 | 74 | 171.7 | -63.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 679 | L | 23.8 | Very low | 27.4 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 102.4 | 149.8 | -97.4 | 177.3 | 0 | 0 | 0 | 110.6 | ||||
| 680 | T | 27.3 | Very low | 27.5 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -149.6 | 95.1 | 176 | 37.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 681 | D | 27.9 | Very low | 27.6 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | -167.7 | 130.5 | 128.6 | -131.3 | 0.5 | 0 | 0 | 0 | 114.6 | |||||
| 682 | K | 29.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | 45.6 | 103.2 | 149.8 | -66 | 161.8 | -173 | 96.8 | 0 | 119.9 | ||||
| 683 | N | 30.9 | Very low | 28.3 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | 177 | 93.4 | 91.6 | -92.8 | -41.3 | 0 | 0 | 0 | 113.9 | N685 | N683-N685 PolarHBondContact O-N 3.2Å; N683-N685 VanDerWaalsContact O-N 3.15Å | |||
| 684 | D | 27.5 | Very low | 28.5 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -82.3 | 86.7 | -179.3 | -54.8 | -82.4 | 0 | 0 | 0 | 112.6 | ||||
| 685 | N | 32.6 | Very low | 28.7 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -140.6 | -9.6 | 177.5 | -90.9 | -77.7 | 0 | 0 | 0 | 116.8 | N683 | N683-N685 PolarHBondContact O-N 3.2Å; N683-N685 VanDerWaalsContact O-N 3.15Å |
| 686 | M | 29.2 | Very low | 28.8 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 84% | 0.837 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -106 | -26 | 177.3 | -80.1 | -172.9 | 167.3 | 0 | 0 | 114.8 | A690 | M686-A690 PolarHBondContact O-N 3.03Š|
| 687 | A | 29.1 | Very low | 29 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 60% | 0.595 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -65 | -46.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y689 A690 Q691 | A687-Y689 VanDerWaalsContact C-N 3.34Å; A687-Y689 PolarHBondContact O-N 2.82Å; A687-A690 PolarHBondContact O-N 3.11Å; A687-Q691 PolarHBondContact O-N 3.49Å |
| 688 | M | 30.5 | Very low | 29.1 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -65.9 | -33.8 | -179.4 | -66.4 | 178 | 69.7 | 0 | 0 | 113 | Q691 G692 | M688-Q691 PolarHBondContact O-N 2.86Å; M688-G692 PolarHBondContact O-N 3.29Å |
| 689 | Y | 29.9 | Very low | 29.2 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -68.9 | -38.2 | -179.2 | -161 | -99.3 | 0 | 0 | 0 | 112.2 | A687 Q691 L693 | A687-Y689 VanDerWaalsContact C-N 3.34Å; A687-Y689 PolarHBondContact O-N 2.82Å; Y689-Q691 PolarHBondContact O-N 3Å; Y689-L693 HydrophobicContact CD1-CD1 3.93Å; Y689-L693 HydrophobicContact CE1-CD1 3.63Å |
| 690 | A | 29.9 | Very low | 29.4 | Very low | 74 Ų | 74 | 127.2 Ų | 127.2 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -68.8 | -22.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M686 A687 | M686-A690 PolarHBondContact O-N 3.03Å; A687-A690 PolarHBondContact O-N 3.11Å |
| 691 | Q | 30.8 | Very low | 29.3 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -98.3 | -19.7 | -175.8 | -155.2 | 157.4 | 0.8 | 0 | 0 | 113.2 | A687 M688 Y689 N695 | A687-Q691 PolarHBondContact O-N 3.49Å; M688-Q691 PolarHBondContact O-N 2.86Å; Y689-Q691 PolarHBondContact O-N 3Å; Q691-N695 PolarHBondContact O-ND2 2.77Å |
| 692 | G | 31.4 | Very low | 29.2 | Very low | 48 Ų | 48 | 128.5 Ų | 128.5 | 50% | 0.495 | 71% | 0.706 | S | S | . | * | H | α-helix | trans | -73.9 | -38 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M688 A694 | M688-G692 PolarHBondContact O-N 3.29Å; G692-A694 PolarHBondContact O-N 2.95Å |
| 693 | L | 32.6 | Very low | 29 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 7 | -178.6 | -74.1 | 169.9 | 0 | 0 | 0 | 115.2 | Y689 | Y689-L693 HydrophobicContact CD1-CD1 3.93Å; Y689-L693 HydrophobicContact CE1-CD1 3.63Å |
| 694 | A | 30.3 | Very low | 28.7 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | -4.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G692 | G692-A694 PolarHBondContact O-N 2.95Š|
| 695 | N | 29.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -122.5 | -9.6 | -165.4 | -73.6 | -61.1 | 0 | 0 | 0 | 116 | Q691 | Q691-N695 PolarHBondContact O-ND2 2.77Š|
| 696 | D | 29.2 | Very low | 28.3 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | -114.3 | 109.9 | -172.8 | -92.1 | -53.1 | 0 | 0 | 0 | 115.1 | ||||
| 697 | C | 27.6 | Very low | 28.2 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | trans | 74.4 | 155.5 | 138.8 | -83.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 698 | P | 28.2 | Very low | 28.1 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | -134.6 | -159.4 | -115.1 | 44.3 | -27.8 | 0 | 0 | 0 | 115 | |||||
| 699 | D | 26.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | trans | -43.9 | 133.3 | -178.4 | -49.1 | -81 | 0 | 0 | 0 | 115.9 | ||||
| 700 | Q | 26.9 | Very low | 27.7 | Very low | 168 Ų | 168 | 122.2 Ų | 122.2 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | 162.2 | 153.7 | 113.7 | -85.2 | 176.5 | 25 | 0 | 0 | 112.5 | |||||
| 701 | L | 26.1 | Very low | 27.5 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 64.2 | 146.8 | 164.2 | -61.8 | 130.2 | 0 | 0 | 0 | 118.6 | ||||
| 702 | L | 25.7 | Very low | 27.4 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -160.2 | 177.2 | -45.9 | -123.6 | 171.9 | 0 | 0 | 0 | 108.6 | ||||
| 703 | D | 24.7 | Very low | 27.1 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -51.1 | 136.8 | -170.8 | -61 | -54.3 | 0 | 0 | 0 | 116.2 | ||||
| 704 | N | 25.9 | Very low | 26.8 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | 171.7 | 95 | 121.2 | -92.4 | -63.8 | 0 | 0 | 0 | 110.7 | |||||
| 705 | G | 26.3 | Very low | 26.8 | Very low | 62 Ų | 62 | 150 Ų | 150 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -168.5 | 154.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y707 | G705-Y707 VanDerWaalsContact C-N 3.25Å; G705-Y707 PolarHBondContact O-N 3.26Å | ||
| 706 | P | 25.4 | Very low | 26.8 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -77.2 | 16.3 | -156.8 | -19.2 | 34.9 | 0 | 0 | 0 | 117.8 | ||
| 707 | Y | 27.6 | Very low | 26.9 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -129.4 | 72.9 | -165.4 | -60.2 | -68.2 | 0 | 0 | 0 | 112.6 | G705 L709 | G705-Y707 VanDerWaalsContact C-N 3.25Å; G705-Y707 PolarHBondContact O-N 3.26Å; Y707-L709 PolarHBondContact O-N 3.44Å; Y707-L709 VanDerWaalsContact O-N 3.14Å | ||
| 708 | G | 26.2 | Very low | 27 | Very low | 82 Ų | 82 | 154.9 Ų | 154.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -63.9 | 107.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A710 | G708-A710 PolarHBondContact O-N 2.96Š| ||
| 709 | L | 25 | Very low | 27.2 | Very low | 161 Ų | 161 | 160.2 Ų | 160.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -96.9 | 86.5 | -175.7 | -130.5 | 170.6 | 0 | 0 | 0 | 111.1 | Y707 L711 | Y707-L709 PolarHBondContact O-N 3.44Å; Y707-L709 VanDerWaalsContact O-N 3.14Å; L709-L711 PolarHBondContact O-N 3Å; L709-L711 VanDerWaalsContact O-N 3.08Å | ||
| 710 | A | 27.2 | Very low | 27.5 | Very low | 82 Ų | 82 | 156.1 Ų | 156.1 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -74.6 | 96.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G708 F712 | G708-A710 PolarHBondContact O-N 2.96Å; A710-F712 PolarHBondContact O-N 3.18Å | ||
| 711 | L | 25.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -68.1 | 93.1 | 174.5 | -86.5 | 166.4 | 0 | 0 | 0 | 112.8 | L709 R713 | L709-L711 PolarHBondContact O-N 3Å; L709-L711 VanDerWaalsContact O-N 3.08Å; L711-R713 PolarHBondContact O-N 3.32Å | ||
| 712 | F | 27.7 | Very low | 28.3 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -78 | 109.7 | 171.6 | -103.3 | -86 | 0 | 0 | 0 | 112.4 | A710 | A710-F712 PolarHBondContact O-N 3.18Š| ||
| 713 | R | 25.6 | Very low | 29 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -57.5 | 142.2 | 176 | -79.1 | 177.2 | 163.7 | 168 | -5.6 | 112.4 | L711 K715 | L711-R713 PolarHBondContact O-N 3.32Å; R713-K715 PolarHBondContact O-N 3.47Å; R713-K715 VanDerWaalsContact O-N 3.17Å | ||
| 714 | R | 27.2 | Very low | 29.9 | Very low | 247 Ų | 247 | 149 Ų | 149 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -53 | 115.5 | 167.7 | -74.9 | 175.4 | 168.4 | 171.9 | -5 | 110.7 | ||
| 715 | K | 28.4 | Very low | 30.5 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -158.4 | -37.4 | 151.9 | -116.3 | 168 | -174.7 | -177.4 | 0 | 116.7 | R713 | R713-K715 PolarHBondContact O-N 3.47Å; R713-K715 VanDerWaalsContact O-N 3.17Å |
| 716 | N | 30.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -111.4 | 9.8 | -166.2 | -70.8 | -5.1 | 0 | 0 | 0 | 117.3 | R718 | N716-R718 VanDerWaalsContact C-N 3.27Å; N716-R718 PolarHBondContact O-N 2.89Å | ||
| 717 | A | 31 | Very low | 32.5 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | trans | -80 | 31.7 | -168 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 718 | R | 29.3 | Very low | 33.4 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -90.9 | 134.6 | 164.1 | -71.2 | -177.9 | 175.7 | 179.9 | -1.7 | 108.4 | N716 | N716-R718 VanDerWaalsContact C-N 3.27Å; N716-R718 PolarHBondContact O-N 2.89Å |
| 719 | K | 33.7 | Very low | 34.2 | Very low | 223 Ų | 223 | 144.8 Ų | 144.8 | 97% | 0.97 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 83.4 | 35.6 | -178.9 | -49.8 | 179.9 | 176.3 | -178.4 | 0 | 118.6 | ||
| 720 | A | 31.9 | Very low | 35.2 | Very low | 59 Ų | 59 | 143 Ų | 143 | 49% | 0.488 | 70% | 0.697 | S | S | . | * | trans | -117.2 | 124.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y725 | A720-Y725 HydrophobicContact CB-CE2 4.12Š| ||
| 721 | S | 35.2 | Very low | 36.2 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 49% | 0.49 | 69% | 0.692 | S | S | . | * | trans | -85.3 | 154.3 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 112.2 | R723 S724 | S721-R723 PolarHBondContact O-N 2.67Å; S721-R723 VanDerWaalsContact O-N 3.1Å; S721-S724 WeakPolarHBondContact O-CB 3.16Å; S721-S724 PolarHBondContact O-N 2.81Å | ||
| 722 | P | 34.2 | Very low | 37.1 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.1 | -30.5 | 179 | -27 | 35.3 | 0 | 0 | 0 | 113.8 | S724 Y725 I726 | P722-S724 VanDerWaalsContact C-N 3.26Å; P722-S724 PolarHBondContact O-N 3.47Å; P722-Y725 PolarHBondContact O-N 2.75Å; P722-I726 WeakPolarHBondContact O-CG1 3.45Å; P722-I726 PolarHBondContact O-N 2.79Å; P722-I726 VanDerWaalsContact O-N 3.15Å |
| 723 | R | 40 | Very low | 37.6 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 75% | 0.751 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.6 | -28.7 | 178.8 | -152.1 | 168.7 | -172.7 | 155.9 | -1.2 | 112.6 | S721 N727 | S721-R723 PolarHBondContact O-N 2.67Å; S721-R723 VanDerWaalsContact O-N 3.1Å; R723-N727 WeakPolarHBondContact O-CB 3.25Å; R723-N727 PolarHBondContact O-N 2.87Å; R723-N727 VanDerWaalsContact O-N 3.15Å |
| 724 | S | 43.7 | Very low | 38.3 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.8 | -48.6 | 175.2 | -172.1 | 0 | 0 | 0 | 0 | 111.6 | S721 P722 I726 N727 K728 | S721-S724 WeakPolarHBondContact O-CB 3.16Å; S721-S724 PolarHBondContact O-N 2.81Å; P722-S724 VanDerWaalsContact C-N 3.26Å; P722-S724 PolarHBondContact O-N 3.47Å; S724-I726 PolarHBondContact O-N 3.35Å; S724-N727 PolarHBondContact O-N 3.39Å; S724-K728 PolarHBondContact O-N 2.83Å |
| 725 | Y | 39.9 | Very low | 39 | Very low | 161 Ų | 161 | 131 Ų | 131 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.9 | -44.2 | 176.6 | -81.4 | -85.6 | 0 | 0 | 0 | 112.2 | A720 P722 N727 K728 A729 | A720-Y725 HydrophobicContact CB-CE2 4.12Å; P722-Y725 PolarHBondContact O-N 2.75Å; Y725-N727 VanDerWaalsContact C-N 3.34Å; Y725-N727 PolarHBondContact O-N 3.23Å; Y725-K728 PolarHBondContact O-N 3.45Å; Y725-A729 WeakPolarHBondContact O-CB 3.37Å; Y725-A729 PolarHBondContact O-N 3.33Å |
| 726 | I | 42.3 | Very low | 39.2 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.5 | -41 | 178.1 | -67.2 | 166.1 | 0 | 0 | 0 | 111.5 | P722 S724 K730 | P722-I726 WeakPolarHBondContact O-CG1 3.45Å; P722-I726 PolarHBondContact O-N 2.79Å; P722-I726 VanDerWaalsContact O-N 3.15Å; S724-I726 PolarHBondContact O-N 3.35Å; I726-K730 WeakPolarHBondContact O-CG 3.41Å; I726-K730 PolarHBondContact O-N 2.99Å; I726-K730 VanDerWaalsContact O-N 3.14Å |
| 727 | N | 50.2 | Low | 39.2 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 48% | 0.476 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.5 | -39.5 | 178 | -75.3 | -0.4 | 0 | 0 | 0 | 112.3 | R723 S724 Y725 A729 K730 Q731 | R723-N727 WeakPolarHBondContact O-CB 3.25Å; R723-N727 PolarHBondContact O-N 2.87Å; R723-N727 VanDerWaalsContact O-N 3.15Å; S724-N727 PolarHBondContact O-N 3.39Å; Y725-N727 VanDerWaalsContact C-N 3.34Å; Y725-N727 PolarHBondContact O-N 3.23Å; N727-A729 VanDerWaalsContact C-N 3.34Å; N727-A729 PolarHBondContact O-N 2.63Å; N727-K730 PolarHBondContact O-N 3.27Å; N727-Q731 PolarHBondContact O-N 3.06Å; N727-Q731 VanDerWaalsContact O-N 3.17Å |
| 728 | K | 47.5 | Very low | 39.2 | Very low | 138 Ų | 138 | 132.7 Ų | 132.7 | 60% | 0.6 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.7 | -40.1 | 176.2 | -151.2 | 86.2 | 179.6 | -176.2 | 0 | 111.6 | S724 Y725 Q731 L732 | S724-K728 PolarHBondContact O-N 2.83Å; Y725-K728 PolarHBondContact O-N 3.45Å; K728-Q731 PolarHBondContact O-N 2.89Å; K728-L732 PolarHBondContact O-N 3.4Å |
| 729 | A | 42.6 | Very low | 39.4 | Very low | 51 Ų | 51 | 127.4 Ų | 127.4 | 42% | 0.421 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.5 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y725 N727 L732 L733 | Y725-A729 WeakPolarHBondContact O-CB 3.37Å; Y725-A729 PolarHBondContact O-N 3.33Å; N727-A729 VanDerWaalsContact C-N 3.34Å; N727-A729 PolarHBondContact O-N 2.63Å; A729-L732 PolarHBondContact O-N 3.35Å; A729-L733 PolarHBondContact O-N 2.91Å |
| 730 | K | 45 | Very low | 39.3 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 54% | 0.535 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64 | -45.6 | 174.3 | -76.2 | 177.6 | 176.7 | -174.5 | 0 | 112.7 | I726 N727 L732 L733 E734 | I726-K730 WeakPolarHBondContact O-CG 3.41Å; I726-K730 PolarHBondContact O-N 2.99Å; I726-K730 VanDerWaalsContact O-N 3.14Å; N727-K730 PolarHBondContact O-N 3.27Å; K730-L732 VanDerWaalsContact C-N 3.28Å; K730-L732 PolarHBondContact O-N 2.95Å; K730-L733 WeakPolarHBondContact O-CB 3.32Å; K730-L733 PolarHBondContact O-N 2.9Å; K730-E734 PolarHBondContact O-N 3.43Å; K730-E734 VanDerWaalsContact O-N 3.09Å |
| 731 | Q | 49.3 | Very low | 39 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 58% | 0.575 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -59.2 | -39.3 | 178.3 | -71.5 | -176 | -49.8 | 0 | 0 | 112.3 | N727 K728 L733 E734 | N727-Q731 PolarHBondContact O-N 3.06Å; N727-Q731 VanDerWaalsContact O-N 3.17Å; K728-Q731 PolarHBondContact O-N 2.89Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 2.81Å; Q731-E734 PolarHBondContact O-N 2.72Å |
| 732 | L | 43.4 | Very low | 38.6 | Very low | 124 Ų | 124 | 131 Ų | 131 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.8 | -29.9 | 176 | -69.5 | 168 | 0 | 0 | 0 | 112.9 | K728 A729 K730 | K728-L732 PolarHBondContact O-N 3.4Å; A729-L732 PolarHBondContact O-N 3.35Å; K730-L732 VanDerWaalsContact C-N 3.28Å; K730-L732 PolarHBondContact O-N 2.95Å |
| 733 | L | 38.6 | Very low | 38.5 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -79 | -22.9 | 177.1 | -97.3 | 158.2 | 0 | 0 | 0 | 114 | A729 K730 Q731 | A729-L733 PolarHBondContact O-N 2.91Å; K730-L733 WeakPolarHBondContact O-CB 3.32Å; K730-L733 PolarHBondContact O-N 2.9Å; Q731-L733 VanDerWaalsContact C-N 3.32Å; Q731-L733 PolarHBondContact O-N 2.81Å |
| 734 | E | 41.4 | Very low | 37.9 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 65% | 0.654 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.6 | -23.5 | 177.6 | -73.6 | 175.4 | 153.7 | 0 | 0 | 112.7 | K730 Q731 Y736 | K730-E734 PolarHBondContact O-N 3.43Å; K730-E734 VanDerWaalsContact O-N 3.09Å; Q731-E734 PolarHBondContact O-N 2.72Å; E734-Y736 VanDerWaalsContact C-N 3.27Å; E734-Y736 PolarHBondContact O-N 2.74Å |
| 735 | H | 40.3 | Very low | 37.4 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -10.1 | 176.4 | -114.6 | 47.4 | 0 | 0 | 0 | 115 | ||
| 736 | Y | 34.2 | Very low | 36.9 | Very low | 207 Ų | 207 | 140.9 Ų | 140.9 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 23 | -173.3 | -87.7 | -83.5 | 0 | 0 | 0 | 114.7 | E734 | E734-Y736 VanDerWaalsContact C-N 3.27Å; E734-Y736 PolarHBondContact O-N 2.74Å |
| 737 | K | 30.2 | Very low | 36.4 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | -110.4 | 96.6 | 179.3 | -75.2 | -178.3 | 178.1 | 175.2 | 0 | 113 | ||||
| 738 | A | 30 | Very low | 35.4 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 78% | 0.777 | 72% | 0.721 | S | S | * | * | trans | -123.5 | 148.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 739 | P | 33.2 | Very low | 34.5 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -95.4 | 156.3 | -165.8 | 36.8 | -35.9 | 0 | 0 | 0 | 114.5 | ||||
| 740 | S | 31.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -149 | 157.3 | 157.8 | 43.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 741 | N | 26.3 | Very low | 33.5 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | -102.5 | 178.5 | -162.2 | -66.8 | -24.2 | 0 | 0 | 0 | 113.6 | ||||
| 742 | E | 27.7 | Very low | 32.5 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | trans | 63.5 | 103.7 | 156.6 | -73.2 | 154.1 | -143.9 | 0 | 0 | 117.9 | ||||
| 743 | F | 30.8 | Very low | 32 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | -164 | 125 | 101.9 | -112.9 | -82.4 | 0 | 0 | 0 | 109.8 | |||||
| 744 | N | 27.6 | Very low | 31.8 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | trans | -126 | 113.7 | 176.4 | -102.2 | -37.5 | 0 | 0 | 0 | 107.6 | ||||
| 745 | E | 32.4 | Very low | 31.5 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | trans | -154.3 | 164.7 | 156.7 | -137.4 | 140.6 | -141.6 | 0 | 0 | 112.5 | ||||
| 746 | K | 30.1 | Very low | 31.5 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | trans | -116.7 | 111.8 | -167.1 | -63.5 | 171.2 | -177 | 171.3 | 0 | 110 | ||||
| 747 | Q | 31 | Very low | 32.2 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | trans | -68.3 | 141.9 | 169.3 | -68.2 | -167.8 | -71.2 | 0 | 0 | 110.5 | Q751 | Q747-Q751 VanDerWaalsContact CB-OE1 3.26Å; Q747-Q751 VanDerWaalsContact CG-OE1 3.31Å; Q747-Q751 VanDerWaalsContact NE2-OE1 3.12Å | ||
| 748 | T | 30 | Very low | 33.1 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 49% | 0.491 | 67% | 0.667 | S | S | . | * | trans | -114 | 160.6 | -170.6 | 47.1 | 0 | 0 | 0 | 0 | 111 | E750 Q751 | T748-E750 WeakPolarHBondContact CB-OE2 3.27Å; T748-E750 PolarHBondContact O-N 3.32Å; T748-E750 PolarHBondContact OG1-OE2 3.5Å; T748-Q751 PolarHBondContact O-N 3.37Å | ||
| 749 | P | 29.7 | Very low | 34.2 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 67% | 0.669 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -59.5 | -16.8 | -169.8 | -26.5 | 37 | 0 | 0 | 0 | 115.9 | Q751 | P749-Q751 PolarHBondContact O-N 3.37Š|
| 750 | E | 32.3 | Very low | 35.6 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 71% | 0.71 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -61.1 | -23.1 | 179.1 | -67.2 | 82 | 173.7 | 0 | 0 | 113.8 | T748 M752 | T748-E750 WeakPolarHBondContact CB-OE2 3.27Å; T748-E750 PolarHBondContact O-N 3.32Å; T748-E750 PolarHBondContact OG1-OE2 3.5Å; E750-M752 VanDerWaalsContact C-N 3.27Å; E750-M752 PolarHBondContact O-N 2.77Å |
| 751 | Q | 32.4 | Very low | 37.2 | Very low | 40 Ų | 40 | 124.7 Ų | 124.7 | 19% | 0.187 | 62% | 0.616 | C | S | . | * | G | 310 helix | trans | -80.2 | 8.2 | -173.7 | -68.9 | 179.9 | -70.5 | 0 | 0 | 115.2 | Q747 T748 P749 N753 D817 E818 | Q747-Q751 VanDerWaalsContact CB-OE1 3.26Å; Q747-Q751 VanDerWaalsContact CG-OE1 3.31Å; Q747-Q751 VanDerWaalsContact NE2-OE1 3.12Å; T748-Q751 PolarHBondContact O-N 3.37Å; P749-Q751 PolarHBondContact O-N 3.37Å; Q751-N753 PolarHBondContact O-N 2.8Å; Q751-D817 PolarHBondContact NE2-OD2 2.99Å; Q751-D817 VanDerWaalsContact NE2-OD2 3.12Å; Q751-E818 PolarHBondContact NE2-OE1 3.31Å |
| 752 | M | 28.9 | Very low | 39.5 | Very low | 84 Ų | 84 | 126 Ų | 126 | 41% | 0.414 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -83.7 | -4.8 | -165.6 | -81.9 | -112.3 | 44.8 | 0 | 0 | 117.7 | K134 E750 F754 | K134-M752 HydrophobicContact CD-CE 4.26Å; K134-M752 HydrophobicContact CD-SD 3.58Å; K134-M752 VanDerWaalsContact CD-SD 3.58Å; K134-M752 PolarHBondContact NZ-SD 2.78Å; E750-M752 VanDerWaalsContact C-N 3.27Å; E750-M752 PolarHBondContact O-N 2.77Å; M752-F754 PolarHBondContact O-N 2.84Å |
| 753 | N | 33.3 | Very low | 41.7 | Very low | 112 Ų | 112 | 125 Ų | 125 | 60% | 0.599 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -76.5 | -14.8 | -176.3 | -94.6 | -2 | 0 | 0 | 0 | 115.8 | Q751 | Q751-N753 PolarHBondContact O-N 2.8Š|
| 754 | F | 35.1 | Very low | 43.6 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 43% | 0.425 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -97.1 | 7.4 | -162.2 | -73.4 | -74.7 | 0 | 0 | 0 | 117.4 | M752 Y836 | M752-F754 PolarHBondContact O-N 2.84Å; F754-Y836 WeakPolarHBondContact CD1-O 2.98Å; F754-Y836 VanDerWaalsContact CE1-O 3.31Å; F754-Y836 WeakPolarHBondContact CE1-O 3.41Å |
| 755 | V | 33.8 | Very low | 45.9 | Very low | 110 Ų | 110 | 109.4 Ų | 109.4 | 67% | 0.667 | 54% | 0.539 | S | S | * | . | trans | -101.1 | 2.3 | -168.7 | -163 | 0 | 0 | 0 | 0 | 114.4 | Q757 | V755-Q757 PolarHBondContact O-N 2.81Š| ||
| 756 | R | 40.6 | Very low | 48.1 | Very low | 189 Ų | 189 | 106.3 Ų | 106.3 | 71% | 0.713 | 53% | 0.525 | S | S | * | . | trans | -75.2 | 116 | 170.1 | -76.1 | -172.6 | 176.1 | 172.7 | 1.4 | 110.3 | V758 | R756-V758 PolarHBondContact O-N 2.66Å; R756-V758 VanDerWaalsContact O-N 3.15Å | ||
| 757 | Q | 48.3 | Very low | 50 | Low | 164 Ų | 164 | 99.1 Ų | 99.1 | 77% | 0.766 | 49% | 0.494 | S | S | * | . | trans | -62.8 | 114.4 | 166.3 | -66.3 | -177.3 | -4.9 | 0 | 0 | 108.1 | V755 T759 | V755-Q757 PolarHBondContact O-N 2.81Å; Q757-T759 PolarHBondContact O-N 2.73Å; Q757-T759 VanDerWaalsContact O-N 3.13Å | ||
| 758 | V | 50 | Low | 52.2 | Low | 36 Ų | 36 | 91.4 Ų | 91.4 | 22% | 0.218 | 46% | 0.458 | C | S | . | . | trans | -54 | 121.2 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | R756 A840 M843 | R756-V758 PolarHBondContact O-N 2.66Å; R756-V758 VanDerWaalsContact O-N 3.15Å; V758-A840 HydrophobicContact CG1-CB 3.96Å; V758-A840 WeakPolarHBondContact CG1-O 3.37Å; V758-A840 HydrophobicContact CG2-CB 4.42Å; V758-M843 HydrophobicContact CB-CE 4.11Å; V758-M843 HydrophobicContact CB-CG 4.46Å; V758-M843 HydrophobicContact CG1-CB 3.8Å; V758-M843 HydrophobicContact CG1-CE 3.86Å; V758-M843 HydrophobicContact CG1-CG 3.65Å; V758-M843 HydrophobicContact CG1-SD 4.46Å; V758-M843 HydrophobicContact CG2-CE 4.26Å | ||
| 759 | T | 52.7 | Low | 54.6 | Low | 73 Ų | 73 | 88.5 Ų | 88.5 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 148 | -178.3 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | Q757 H841 A842 M843 | Q757-T759 PolarHBondContact O-N 2.73Å; Q757-T759 VanDerWaalsContact O-N 3.13Å; T759-H841 PolarHBondContact N-O 3.29Å; T759-H841 PolarHBondContact OG1-O 3.02Å; T759-A842 CarbonylContact O-C 3.46Å; T759-A842 WeakPolarHBondContact O-CA 3.5Å; T759-A842 WeakPolarHBondContact O-CB 3.41Å; T759-A842 WeakPolarHBondContact OG1-CB 3.3Å; T759-M843 PolarHBondContact O-N 3.03Å |
| 760 | I | 62.9 | Low | 56.9 | Low | 121 Ų | 121 | 89.2 Ų | 89.2 | 62% | 0.621 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 110.5 | 176.6 | -56.5 | -59.8 | 0 | 0 | 0 | 108.1 | M843 | I760-M843 CarbonylContact C-O 3.56Å; I760-M843 WeakPolarHBondContact CA-O 3.43Å; I760-M843 HydrophobicContact CD1-CG 3.79Å; I760-M843 HydrophobicContact CD1-SD 4.26Å |
| 761 | D | 66 | Low | 58.9 | Low | 53 Ų | 53 | 82.6 Ų | 82.6 | 28% | 0.283 | 41% | 0.406 | S | S | . | . | trans | -92.8 | 136.5 | -180 | -174 | -74.9 | 0 | 0 | 0 | 110.7 | E763 L764 A765 A842 M843 | D761-E763 WeakPolarHBondContact OD1-CA 3.24Å; D761-E763 PolarHBondContact OD1-N 3.28Å; D761-L764 HydrophobicContact CB-CB 4.08Å; D761-L764 HydrophobicContact CB-CD1 4.01Å; D761-L764 HydrophobicContact CB-CG 4.13Å; D761-L764 PolarHBondContact OD1-N 3.24Å; D761-A765 VanDerWaalsContact O-CB 3.3Å; D761-A765 WeakPolarHBondContact O-CB 3.43Å; D761-A765 PolarHBondContact O-N 3.38Å; D761-A842 HydrophobicContact CB-CB 3.75Å; D761-M843 PolarHBondContact N-O 2.88Å | ||
| 762 | K | 73.6 | Confident | 61 | Low | 166 Ų | 166 | 80.8 Ų | 80.8 | 72% | 0.722 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -79.2 | -39.8 | -178.6 | -76.1 | -170.6 | 173.1 | -170.8 | 0 | 113 | A765 E766 | K762-A765 CarbonylContact O-C 3.52Å; K762-A765 PolarHBondContact O-N 2.91Å; K762-A765 VanDerWaalsContact O-N 3.12Å; K762-E766 WeakPolarHBondContact O-CG 3.28Å; K762-E766 PolarHBondContact O-N 3.44Å |
| 763 | E | 74.9 | Confident | 63.5 | Low | 146 Ų | 146 | 80 Ų | 80 | 68% | 0.682 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.2 | -42.1 | -178.4 | -63.1 | -177.7 | -172.5 | 0 | 0 | 110 | D761 A765 E766 E767 | D761-E763 WeakPolarHBondContact OD1-CA 3.24Å; D761-E763 PolarHBondContact OD1-N 3.28Å; E763-A765 VanDerWaalsContact C-N 3.27Å; E763-A765 PolarHBondContact O-N 3.07Å; E763-E766 PolarHBondContact O-N 2.93Å; E763-E767 VanDerWaalsContact O-CB 3.29Å; E763-E767 WeakPolarHBondContact O-CB 3.37Å; E763-E767 WeakPolarHBondContact O-CG 3.3Å; E763-E767 PolarHBondContact O-N 2.94Å |
| 764 | L | 70.3 | Confident | 65.7 | Low | 8 Ų | 8 | 78.8 Ų | 78.8 | 4% | 0.042 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.1 | -33 | 170.2 | -67.7 | -178.6 | 0 | 0 | 0 | 112.3 | D761 A768 Y784 A859 T861 | D761-L764 HydrophobicContact CB-CB 4.08Å; D761-L764 HydrophobicContact CB-CD1 4.01Å; D761-L764 HydrophobicContact CB-CG 4.13Å; D761-L764 PolarHBondContact OD1-N 3.24Å; L764-A768 WeakPolarHBondContact O-CB 3.14Å; L764-A768 PolarHBondContact O-N 2.87Å; L764-Y784 HydrophobicContact CD2-CD1 3.77Å; L764-Y784 HydrophobicContact CD2-CD2 4.32Å; L764-Y784 HydrophobicContact CD2-CE1 4.24Å; L764-Y784 HydrophobicContact CD2-CG 3.81Å; L764-A859 HydrophobicContact CB-CB 4.35Å; L764-A859 HydrophobicContact CD2-CB 4.14Å; L764-T861 HydrophobicContact CD1-CG2 3.92Å |
| 765 | A | 76.6 | Confident | 67.6 | Low | 26 Ų | 26 | 76.6 Ų | 76.6 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -76.6 | -35.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D761 K762 E763 G769 | D761-A765 VanDerWaalsContact O-CB 3.3Å; D761-A765 WeakPolarHBondContact O-CB 3.43Å; D761-A765 PolarHBondContact O-N 3.38Å; K762-A765 CarbonylContact O-C 3.52Å; K762-A765 PolarHBondContact O-N 2.91Å; K762-A765 VanDerWaalsContact O-N 3.12Å; E763-A765 VanDerWaalsContact C-N 3.27Å; E763-A765 PolarHBondContact O-N 3.07Å; A765-G769 PolarHBondContact O-N 2.81Å |
| 766 | E | 77.6 | Confident | 69.2 | Low | 121 Ų | 121 | 75.2 Ų | 75.2 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.9 | -42 | 172.3 | -74.5 | 178.6 | -155.3 | 0 | 0 | 111.5 | K762 E763 G769 K770 | K762-E766 WeakPolarHBondContact O-CG 3.28Å; K762-E766 PolarHBondContact O-N 3.44Å; E763-E766 PolarHBondContact O-N 2.93Å; E766-G769 CarbonylContact O-C 3.52Å; E766-G769 WeakPolarHBondContact O-CA 3.45Å; E766-G769 PolarHBondContact O-N 2.91Å; E766-G769 VanDerWaalsContact O-N 3.13Å; E766-K770 WeakPolarHBondContact O-CG 3.45Å; E766-K770 PolarHBondContact O-N 2.84Å |
| 767 | E | 71.2 | Confident | 70.2 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.3 | -50.2 | 172.2 | -79.8 | -66.5 | 119.3 | 0 | 0 | 111.5 | E763 G769 K770 V771 R782 | E763-E767 VanDerWaalsContact O-CB 3.29Å; E763-E767 WeakPolarHBondContact O-CB 3.37Å; E763-E767 WeakPolarHBondContact O-CG 3.3Å; E763-E767 PolarHBondContact O-N 2.94Å; E767-G769 PolarHBondContact O-N 2.86Å; E767-K770 WeakPolarHBondContact O-CB 3.4Å; E767-K770 PolarHBondContact O-N 3.23Å; E767-K770 VanDerWaalsContact O-N 3.11Å; E767-K770 VanDerWaalsContact OE1-CD 3.29Å; E767-K770 WeakPolarHBondContact OE1-CD 3.28Å; E767-K770 WeakPolarHBondContact OE1-CE 3.45Å; E767-K770 IonicContact OE1-NZ 3.14Å; E767-K770 PolarHBondContact OE1-NZ 3Å; E767-V771 WeakPolarHBondContact O-CG2 3.44Å; E767-V771 PolarHBondContact O-N 3.3Å; E767-R782 IonicContact OE1-NH1 3.05Å; E767-R782 IonicContact OE2-CZ 3.26Å; E767-R782 IonicContact OE2-NH1 2.97Å; E767-R782 PolarHBondContact OE2-NH1 2.73Å |
| 768 | A | 76.5 | Confident | 70.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.7 | -30 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L764 A772 V857 A859 | L764-A768 WeakPolarHBondContact O-CB 3.14Å; L764-A768 PolarHBondContact O-N 2.87Å; A768-A772 VanDerWaalsContact O-CB 3.3Å; A768-A772 WeakPolarHBondContact O-CB 3.47Å; A768-A772 PolarHBondContact O-N 2.99Å; A768-V857 HydrophobicContact CB-CB 4.28Å; A768-V857 HydrophobicContact CB-CG1 4.07Å; A768-V857 WeakPolarHBondContact CB-O 3.37Å; A768-A859 HydrophobicContact CB-CB 4.3Å |
| 769 | G | 79.1 | Confident | 70.5 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A765 E766 E767 V771 A772 A773 | A765-G769 PolarHBondContact O-N 2.81Å; E766-G769 CarbonylContact O-C 3.52Å; E766-G769 WeakPolarHBondContact O-CA 3.45Å; E766-G769 PolarHBondContact O-N 2.91Å; E766-G769 VanDerWaalsContact O-N 3.13Å; E767-G769 PolarHBondContact O-N 2.86Å; G769-V771 VanDerWaalsContact C-N 3.34Å; G769-V771 PolarHBondContact O-N 2.8Å; G769-A772 PolarHBondContact O-N 2.79Å; G769-A773 VanDerWaalsContact O-CB 3.29Å; G769-A773 WeakPolarHBondContact O-CB 3.37Å; G769-A773 PolarHBondContact O-N 3.1Å |
| 770 | K | 79.6 | Confident | 70.5 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.2 | -64.9 | 163.1 | -154.3 | 170.2 | 0 | 110.8 | E766 E767 A773 T774 | E766-K770 WeakPolarHBondContact O-CG 3.45Å; E766-K770 PolarHBondContact O-N 2.84Å; E767-K770 WeakPolarHBondContact O-CB 3.4Å; E767-K770 PolarHBondContact O-N 3.23Å; E767-K770 VanDerWaalsContact O-N 3.11Å; E767-K770 VanDerWaalsContact OE1-CD 3.29Å; E767-K770 WeakPolarHBondContact OE1-CD 3.28Å; E767-K770 WeakPolarHBondContact OE1-CE 3.45Å; E767-K770 IonicContact OE1-NZ 3.14Å; E767-K770 PolarHBondContact OE1-NZ 3Å; K770-A773 PolarHBondContact O-N 3.36Å; K770-T774 WeakPolarHBondContact O-CG2 3.42Å; K770-T774 PolarHBondContact O-N 3.42Å |
| 771 | V | 72.7 | Confident | 69.8 | Low | 12 Ų | 12 | 65.4 Ų | 65.4 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 176.5 | -179 | 0 | 0 | 0 | 0 | 111.2 | E767 G769 A773 T774 P780 L786 V857 | E767-V771 WeakPolarHBondContact O-CG2 3.44Å; E767-V771 PolarHBondContact O-N 3.3Å; G769-V771 VanDerWaalsContact C-N 3.34Å; G769-V771 PolarHBondContact O-N 2.8Å; V771-A773 VanDerWaalsContact C-N 3.27Å; V771-A773 PolarHBondContact O-N 3.25Å; V771-T774 WeakPolarHBondContact O-CB 3.25Å; V771-T774 PolarHBondContact O-N 3.22Å; V771-T774 VanDerWaalsContact O-N 3.16Å; V771-T774 PolarHBondContact O-OG1 2.82Å; V771-P780 HydrophobicContact CG1-CG 4.21Å; V771-P780 HydrophobicContact CG2-CG 3.63Å; V771-L786 HydrophobicContact CB-CD2 4.34Å; V771-L786 HydrophobicContact CG1-CD2 3.93Å; V771-L786 HydrophobicContact CG2-CD2 4.18Å; V771-V857 HydrophobicContact CB-CG1 4.18Å; V771-V857 HydrophobicContact CG1-CG1 4.07Å; V771-V857 HydrophobicContact CG1-CG2 4.25Å |
| 772 | A | 77.1 | Confident | 69.1 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 2% | 0.017 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A768 G769 T774 C775 A848 V857 | A768-A772 VanDerWaalsContact O-CB 3.3Å; A768-A772 WeakPolarHBondContact O-CB 3.47Å; A768-A772 PolarHBondContact O-N 2.99Å; G769-A772 PolarHBondContact O-N 2.79Å; A772-T774 PolarHBondContact O-N 3.45Å; A772-C775 PolarHBondContact O-N 3.22Å; A772-A848 HydrophobicContact CB-CB 3.96Å; A772-A848 VanDerWaalsContact O-CB 3.24Å; A772-A848 WeakPolarHBondContact O-CB 3.37Å; A772-V857 HydrophobicContact CB-CB 4.16Å; A772-V857 HydrophobicContact CB-CG2 3.76Å |
| 773 | A | 82.7 | Confident | 67.8 | Low | 68 Ų | 68 | 72.7 Ų | 72.7 | 56% | 0.562 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66 | -19.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G769 K770 V771 C775 A848 | G769-A773 VanDerWaalsContact O-CB 3.29Å; G769-A773 WeakPolarHBondContact O-CB 3.37Å; G769-A773 PolarHBondContact O-N 3.1Å; K770-A773 PolarHBondContact O-N 3.36Å; V771-A773 VanDerWaalsContact C-N 3.27Å; V771-A773 PolarHBondContact O-N 3.25Å; A773-C775 PolarHBondContact O-N 2.93Å; A773-A848 HydrophobicContact CB-CB 4.44Å |
| 774 | T | 78.6 | Confident | 66.6 | Low | 87 Ų | 87 | 71.2 Ų | 71.2 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15.6 | 169 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | K770 V771 A772 N776 | K770-T774 WeakPolarHBondContact O-CG2 3.42Å; K770-T774 PolarHBondContact O-N 3.42Å; V771-T774 WeakPolarHBondContact O-CB 3.25Å; V771-T774 PolarHBondContact O-N 3.22Å; V771-T774 VanDerWaalsContact O-N 3.16Å; V771-T774 PolarHBondContact O-OG1 2.82Å; A772-T774 PolarHBondContact O-N 3.45Å; T774-N776 PolarHBondContact O-N 3.43Å; T774-N776 WeakPolarHBondContact OG1-CB 3.16Å; T774-N776 PolarHBondContact OG1-N 2.68Å; T774-N776 VanDerWaalsContact OG1-N 3.17Å |
| 775 | C | 75 | Confident | 65.9 | Low | 51 Ų | 51 | 71.6 Ų | 71.6 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | trans | 54.5 | 6.2 | -168 | -68.2 | 0 | 0 | 0 | 0 | 115.3 | A772 A773 C850 H855 | A772-C775 PolarHBondContact O-N 3.22Å; A773-C775 PolarHBondContact O-N 2.93Å; C775-C850 WeakPolarHBondContact CA-SG 3.34Å; C775-C850 HydrophobicContact CB-CB 3.73Å; C775-C850 WeakPolarHBondContact CB-SG 3.5Å; C775-C850 VanDerWaalsContact SG-CA 3.53Å; C775-C850 WeakPolarHBondContact SG-CB 3.49Å; C775-C850 CovalentContact SG-SG 2.03Å; C775-C850 PolarHBondContact SG-SG 3.49Å; C775-H855 PolarHBondContact O-CE1 2.78Å; C775-H855 VanDerWaalsContact O-CE1 3.28Å | ||
| 776 | N | 67.9 | Low | 64.7 | Low | 80 Ų | 80 | 71.3 Ų | 71.3 | 43% | 0.428 | 36% | 0.357 | S | S | . | . | trans | -77.9 | 139.3 | -176.6 | -166.2 | -13.3 | 0 | 0 | 0 | 110 | T774 T778 | T774-N776 PolarHBondContact O-N 3.43Å; T774-N776 WeakPolarHBondContact OG1-CB 3.16Å; T774-N776 PolarHBondContact OG1-N 2.68Å; T774-N776 VanDerWaalsContact OG1-N 3.17Å; N776-T778 PolarHBondContact ND2-OG1 3.44Å; N776-T778 PolarHBondContact OD1-N 2.91Å; N776-T778 PolarHBondContact OD1-OG1 3.07Å | ||
| 777 | Q | 60.4 | Low | 63.6 | Low | 103 Ų | 103 | 66 Ų | 66 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -84.8 | -14.4 | 174 | -65.7 | -179.6 | -3.9 | 0 | 0 | 112.1 | L882 | Q777-L882 VanDerWaalsContact O-CD2 3.31Å; Q777-L882 WeakPolarHBondContact O-CD2 3.42Å |
| 778 | T | 53.5 | Low | 63 | Low | 56 Ų | 56 | 65.8 Ų | 65.8 | 34% | 0.344 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -81 | 130.1 | 174.7 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | N776 L882 | N776-T778 PolarHBondContact ND2-OG1 3.44Å; N776-T778 PolarHBondContact OD1-N 2.91Å; N776-T778 PolarHBondContact OD1-OG1 3.07Å; T778-L882 HydrophobicContact CG2-CD2 3.77Å |
| 779 | L | 51.8 | Low | 62 | Low | 47 Ų | 47 | 67.5 Ų | 67.5 | 25% | 0.246 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -79 | 132.1 | -179.8 | -57 | 177.2 | 0 | 0 | 0 | 109.4 | L786 V789 | L779-L786 HydrophobicContact CD1-CB 4.34Å; L779-L786 HydrophobicContact CD2-CB 4.19Å; L779-L786 HydrophobicContact CD2-CD2 4.06Å; L779-V789 HydrophobicContact CD2-CG2 4.04Å |
| 780 | P | 52.3 | Low | 61.1 | Low | 51 Ų | 51 | 69.2 Ų | 69.2 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 140.5 | 174.9 | 29.7 | -34.8 | 0 | 0 | 0 | 110.8 | V771 R782 | V771-P780 HydrophobicContact CG1-CG 4.21Å; V771-P780 HydrophobicContact CG2-CG 3.63Å; P780-R782 HydrophobicContact CB-CG 4.4Å; P780-R782 PolarHBondContact O-N 2.95Å; P780-R782 VanDerWaalsContact O-N 3.07Å |
| 781 | Q | 49.4 | Very low | 60 | Low | 120 Ų | 120 | 66 Ų | 66 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | trans | -65.1 | 107.9 | 170.8 | -60 | -176 | 9.1 | 0 | 0 | 109.6 | S884 S885 | Q781-S884 VanDerWaalsContact CD-OG 3.24Å; Q781-S884 WeakPolarHBondContact CG-OG 3.45Å; Q781-S884 PolarHBondContact NE2-OG 3.14Å; Q781-S885 VanDerWaalsContact NE2-N 3.14Å; Q781-S885 PolarHBondContact NE2-OG 3.23Å; Q781-S885 PolarHBondContact OE1-OG 2.92Å | ||
| 782 | R | 49.5 | Very low | 59.5 | Low | 147 Ų | 147 | 66.3 Ų | 66.3 | 56% | 0.555 | 35% | 0.346 | S | S | * | . | trans | -143.4 | 163.6 | 177.2 | -66.8 | -167.1 | 174.8 | -144.2 | -12.5 | 110.4 | E767 P780 Y784 | E767-R782 IonicContact OE1-NH1 3.05Å; E767-R782 IonicContact OE2-CZ 3.26Å; E767-R782 IonicContact OE2-NH1 2.97Å; E767-R782 PolarHBondContact OE2-NH1 2.73Å; P780-R782 HydrophobicContact CB-CG 4.4Å; P780-R782 PolarHBondContact O-N 2.95Å; P780-R782 VanDerWaalsContact O-N 3.07Å; R782-Y784 PolarHBondContact O-N 2.71Å; R782-Y784 VanDerWaalsContact O-N 3.16Å | ||
| 783 | R | 47 | Very low | 58.7 | Low | 225 Ų | 225 | 71.1 Ų | 71.1 | 85% | 0.849 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -65.8 | -13.5 | -175.3 | -63.9 | -179 | -179.9 | 176.4 | -2.3 | 114.8 | ||
| 784 | Y | 50.3 | Low | 57.5 | Low | 115 Ų | 115 | 75.5 Ų | 75.5 | 45% | 0.451 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -97.7 | 153.6 | -177.5 | -45.9 | -73.7 | 0 | 0 | 0 | 111 | L764 R782 L786 | L764-Y784 HydrophobicContact CD2-CD1 3.77Å; L764-Y784 HydrophobicContact CD2-CD2 4.32Å; L764-Y784 HydrophobicContact CD2-CE1 4.24Å; L764-Y784 HydrophobicContact CD2-CG 3.81Å; R782-Y784 PolarHBondContact O-N 2.71Å; R782-Y784 VanDerWaalsContact O-N 3.16Å; Y784-L786 PolarHBondContact O-N 2.8Å |
| 785 | G | 54.2 | Low | 56.6 | Low | 16 Ų | 16 | 77 Ų | 77 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A859 Y860 | G785-A859 CarbonylContact O-C 3.58Å; G785-A859 VanDerWaalsContact O-CA 3.23Å; G785-A859 WeakPolarHBondContact O-CA 3.34Å; G785-Y860 VanDerWaalsContact CA-CZ 3.43Å; G785-Y860 PolarHBondContact N-O 3.15Å; G785-Y860 VanDerWaalsContact N-O 3.13Å; G785-Y860 WeakPolarHBondContact O-CD1 3.39Å; G785-Y860 WeakPolarHBondContact O-CE1 3.11Å; G785-Y860 PolarHBondContact O-N 3.06Å |
| 786 | L | 52.2 | Low | 55.7 | Low | 20 Ų | 20 | 84.7 Ų | 84.7 | 11% | 0.105 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.7 | 163.1 | -97.5 | 81 | 0 | 0 | 0 | 107.9 | V771 L779 Y784 V857 A859 | V771-L786 HydrophobicContact CB-CD2 4.34Å; V771-L786 HydrophobicContact CG1-CD2 3.93Å; V771-L786 HydrophobicContact CG2-CD2 4.18Å; L779-L786 HydrophobicContact CD1-CB 4.34Å; L779-L786 HydrophobicContact CD2-CB 4.19Å; L779-L786 HydrophobicContact CD2-CD2 4.06Å; Y784-L786 PolarHBondContact O-N 2.8Å; L786-V857 HydrophobicContact CD2-CG1 3.55Å; L786-V857 HydrophobicContact CG-CG1 4.26Å; L786-A859 HydrophobicContact CD1-CB 3.71Å; L786-A859 HydrophobicContact CG-CB 4.06Å |
| 787 | A | 55.2 | Low | 55.4 | Low | 9 Ų | 9 | 83.9 Ų | 83.9 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -35.5 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | C858 Y860 | A787-C858 PolarHBondContact N-O 3.24Å; A787-C858 VanDerWaalsContact N-O 3.13Å; A787-Y860 HydrophobicContact CB-CD1 4.1Å; A787-Y860 HydrophobicContact CB-CE1 3.64Å |
| 788 | M | 57.3 | Low | 55.3 | Low | 36 Ų | 36 | 79.8 Ų | 79.8 | 18% | 0.177 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 140.4 | -155.8 | -173.5 | 168.4 | -108.5 | 0 | 0 | 112.7 | I790 Y802 L831 V857 C858 | M788-I790 HydrophobicContact CG-CD1 4.49Å; M788-I790 HydrophobicContact CG-CG1 3.67Å; M788-I790 HydrophobicContact SD-CD1 3.71Å; M788-I790 HydrophobicContact SD-CG1 3.49Å; M788-I790 WeakPolarHBondContact SD-CG1 3.4Å; M788-Y802 HydrophobicContact CE-CE2 3.98Å; M788-Y802 HydrophobicContact SD-CD2 4.29Å; M788-Y802 HydrophobicContact SD-CE2 3.35Å; M788-Y802 WeakPolarHBondContact SD-CE2 3.38Å; M788-L831 HydrophobicContact CE-CD1 4.07Å; M788-V857 WeakPolarHBondContact O-CA 3.33Å; M788-C858 PolarHBondContact O-N 3.39Å |
| 789 | V | 55.6 | Low | 55.5 | Low | 35 Ų | 35 | 79.2 Ų | 79.2 | 21% | 0.212 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.8 | 159.2 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | L779 V856 V857 | L779-V789 HydrophobicContact CD2-CG2 4.04Å; V789-V856 CarbonylContact C-O 3.48Å; V789-V856 WeakPolarHBondContact CA-O 3.5Å; V789-V857 HydrophobicContact CG2-CG2 4.38Å |
| 790 | I | 59.8 | Low | 56 | Low | 56 Ų | 56 | 83.2 Ų | 83.2 | 29% | 0.287 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 109.9 | 168.6 | -47 | 179.5 | 0 | 0 | 0 | 107.5 | M788 Y802 V854 H855 V856 | M788-I790 HydrophobicContact CG-CD1 4.49Å; M788-I790 HydrophobicContact CG-CG1 3.67Å; M788-I790 HydrophobicContact SD-CD1 3.71Å; M788-I790 HydrophobicContact SD-CG1 3.49Å; M788-I790 WeakPolarHBondContact SD-CG1 3.4Å; I790-Y802 HydrophobicContact CD1-CD2 3.98Å; I790-Y802 HydrophobicContact CD1-CE2 4.3Å; I790-V854 VanDerWaalsContact O-O 3.08Å; I790-H855 CarbonylContact O-C 3.56Å; I790-H855 WeakPolarHBondContact O-CA 3.43Å; I790-V856 HydrophobicContact CB-CB 4.16Å; I790-V856 PolarHBondContact N-O 3.28Å; I790-V856 PolarHBondContact O-N 3.31Å |
| 791 | S | 57.4 | Low | 56.5 | Low | 49 Ų | 49 | 83.5 Ų | 83.5 | 34% | 0.343 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.8 | 171.7 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | V854 H855 | S791-V854 WeakPolarHBondContact CA-O 3.36Å; S791-H855 PolarHBondContact OG-CD2 3.17Å; S791-H855 PolarHBondContact OG-CE1 2.89Å; S791-H855 VanDerWaalsContact OG-CE1 3.3Å; S791-H855 PolarHBondContact OG-NE2 3.37Å |
| 792 | G | 62.4 | Low | 57.1 | Low | 19 Ų | 19 | 78.8 Ų | 78.8 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 175 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N853 V854 | G792-N853 CarbonylContact O-C 3.5Å; G792-N853 WeakPolarHBondContact O-CA 3.34Å; G792-V854 PolarHBondContact N-O 3.24Å; G792-V854 PolarHBondContact O-N 3.34Å |
| 793 | P | 60.9 | Low | 57.6 | Low | 103 Ų | 103 | 73.6 Ų | 73.6 | 67% | 0.669 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 151.1 | 179.1 | 26.1 | -34.8 | 0 | 0 | 0 | 111.8 | Q795 | P793-Q795 PolarHBondContact O-N 3.34Å |
| 794 | K | 57 | Low | 58.5 | Low | 160 Ų | 160 | 70.6 Ų | 70.6 | 70% | 0.696 | 35% | 0.347 | S | S | * | . | trans | -50.6 | 93 | -170.2 | -69.8 | 176.4 | 177.6 | 172.9 | 0 | 114.4 | V854 | K794-V854 HydrophobicContact CB-CG2 4.42Å; K794-V854 HydrophobicContact CG-CG2 3.92Å | ||
| 795 | Q | 58.6 | Low | 59.3 | Low | 118 Ų | 118 | 67.7 Ų | 67.7 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | trans | -82.4 | 144.3 | 165.5 | -63.8 | -165.2 | 13.9 | 0 | 0 | 111.1 | P793 D797 N801 | P793-Q795 PolarHBondContact O-N 3.34Å; Q795-D797 PolarHBondContact O-N 2.9Å; Q795-N801 PolarHBondContact OE1-ND2 2.99Å | ||
| 796 | K | 56.9 | Low | 59.7 | Low | 214 Ų | 214 | 67 Ų | 67 | 93% | 0.93 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -60.5 | -38.7 | -178.9 | -80.4 | -172.3 | 174.1 | 179.9 | 0 | 113.7 | ||
| 797 | D | 62.5 | Low | 60.3 | Low | 63 Ų | 63 | 73 Ų | 73 | 34% | 0.337 | 36% | 0.355 | S | S | . | . | trans | -154.6 | 80.9 | -179.4 | -164.2 | -21.3 | 0 | 0 | 0 | 111.8 | Q795 I799 K800 N801 | Q795-D797 PolarHBondContact O-N 2.9Å; D797-I799 PolarHBondContact O-N 3.44Å; D797-K800 HydrophobicContact CB-CB 4.06Å; D797-K800 PolarHBondContact O-N 3.42Å; D797-K800 WeakPolarHBondContact OD1-CB 3.46Å; D797-K800 PolarHBondContact OD1-N 2.79Å; D797-K800 VanDerWaalsContact OD1-N 3.08Å; D797-K800 WeakPolarHBondContact OD2-CB 3.43Å; D797-K800 WeakPolarHBondContact OD2-CD 3.49Å; D797-N801 WeakPolarHBondContact O-CB 3.33Å; D797-N801 PolarHBondContact O-N 2.83Å | ||
| 798 | P | 57.5 | Low | 60.9 | Low | 17 Ų | 17 | 74.6 Ų | 74.6 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -37.1 | -174.7 | 24 | -33.3 | 0 | 0 | 0 | 113 | N801 Y802 V856 | P798-N801 PolarHBondContact O-N 3.1Å; P798-Y802 VanDerWaalsContact O-CB 3.27Å; P798-Y802 WeakPolarHBondContact O-CB 3.38Å; P798-Y802 PolarHBondContact O-N 3.32Å; P798-V856 HydrophobicContact CB-CG2 4.03Å; P798-V856 HydrophobicContact CG-CG2 3.57Å |
| 799 | I | 58.3 | Low | 61.4 | Low | 43 Ų | 43 | 73.1 Ų | 73.1 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.9 | -42.6 | -179.1 | -62 | 160.7 | 0 | 0 | 0 | 110.5 | D797 Y802 I803 C845 V856 | D797-I799 PolarHBondContact O-N 3.44Å; I799-Y802 WeakPolarHBondContact O-CB 3.26Å; I799-Y802 PolarHBondContact O-N 3.31Å; I799-I803 HydrophobicContact CG2-CD1 3.99Å; I799-I803 WeakPolarHBondContact O-CG1 3.24Å; I799-I803 PolarHBondContact O-N 3.02Å; I799-C845 HydrophobicContact CD1-CB 3.63Å; I799-C845 HydrophobicContact CG1-CB 4.03Å; I799-C845 HydrophobicContact CG2-CB 4.41Å; I799-V856 HydrophobicContact CD1-CG1 4.06Å; I799-V856 HydrophobicContact CG1-CG1 3.71Å |
| 800 | K | 61.5 | Low | 61.6 | Low | 131 Ų | 131 | 78.2 Ų | 78.2 | 57% | 0.57 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.8 | -32.6 | 177.6 | -165 | 172.2 | -175.4 | 173.5 | 0 | 112.4 | D797 R804 | D797-K800 HydrophobicContact CB-CB 4.06Å; D797-K800 PolarHBondContact O-N 3.42Å; D797-K800 WeakPolarHBondContact OD1-CB 3.46Å; D797-K800 PolarHBondContact OD1-N 2.79Å; D797-K800 VanDerWaalsContact OD1-N 3.08Å; D797-K800 WeakPolarHBondContact OD2-CB 3.43Å; D797-K800 WeakPolarHBondContact OD2-CD 3.49Å; K800-R804 WeakPolarHBondContact O-CB 3.47Å; K800-R804 PolarHBondContact O-N 3.48Å |
| 801 | N | 64 | Low | 62 | Low | 58 Ų | 58 | 84 Ų | 84 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 168.9 | -80.7 | -12.1 | 0 | 0 | 0 | 111.3 | Q795 D797 P798 I803 R804 T805 | Q795-N801 PolarHBondContact OE1-ND2 2.99Å; D797-N801 WeakPolarHBondContact O-CB 3.33Å; D797-N801 PolarHBondContact O-N 2.83Å; P798-N801 PolarHBondContact O-N 3.1Å; N801-I803 PolarHBondContact O-N 2.87Å; N801-R804 WeakPolarHBondContact O-CB 3.49Å; N801-R804 PolarHBondContact O-N 3.33Å; N801-R804 VanDerWaalsContact O-N 3.15Å; N801-T805 PolarHBondContact O-N 2.91Å; N801-T805 PolarHBondContact O-OG1 2.89Å; N801-T805 VanDerWaalsContact O-OG1 3.12Å |
| 802 | Y | 61.7 | Low | 62.7 | Low | 20 Ų | 20 | 86.6 Ų | 86.6 | 8% | 0.078 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.2 | -51.1 | 177.7 | -177.5 | -101.6 | 0 | 0 | 0 | 112.3 | M788 I790 P798 I799 R804 T805 A806 L831 V835 | M788-Y802 HydrophobicContact CE-CE2 3.98Å; M788-Y802 HydrophobicContact SD-CD2 4.29Å; M788-Y802 HydrophobicContact SD-CE2 3.35Å; M788-Y802 WeakPolarHBondContact SD-CE2 3.38Å; I790-Y802 HydrophobicContact CD1-CD2 3.98Å; I790-Y802 HydrophobicContact CD1-CE2 4.3Å; P798-Y802 VanDerWaalsContact O-CB 3.27Å; P798-Y802 WeakPolarHBondContact O-CB 3.38Å; P798-Y802 PolarHBondContact O-N 3.32Å; I799-Y802 WeakPolarHBondContact O-CB 3.26Å; I799-Y802 PolarHBondContact O-N 3.31Å; Y802-R804 PolarHBondContact O-N 3.5Å; Y802-T805 PolarHBondContact O-N 2.97Å; Y802-A806 PolarHBondContact O-N 2.99Å; Y802-L831 HydrophobicContact CD2-CD1 3.68Å; Y802-L831 HydrophobicContact CD2-CD2 3.88Å; Y802-L831 HydrophobicContact CD2-CG 3.65Å; Y802-L831 HydrophobicContact CE2-CD1 3.42Å; Y802-L831 VanDerWaalsContact CE2-CD1 3.42Å; Y802-L831 HydrophobicContact CE2-CD2 4.17Å; Y802-L831 HydrophobicContact CE2-CG 3.42Å; Y802-L831 VanDerWaalsContact CE2-CG 3.42Å; Y802-V835 HydrophobicContact CD1-CG2 3.9Å; Y802-V835 HydrophobicContact CE1-CG2 3.24Å |
| 803 | I | 60.4 | Low | 62.9 | Low | 39 Ų | 39 | 91.8 Ų | 91.8 | 20% | 0.2 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 176.3 | -65.9 | 169.5 | 0 | 0 | 0 | 111.7 | I799 N801 R807 | I799-I803 HydrophobicContact CG2-CD1 3.99Å; I799-I803 WeakPolarHBondContact O-CG1 3.24Å; I799-I803 PolarHBondContact O-N 3.02Å; N801-I803 PolarHBondContact O-N 2.87Å; I803-R807 HydrophobicContact CG2-CG 4.45Å; I803-R807 WeakPolarHBondContact O-CB 3.37Å; I803-R807 VanDerWaalsContact O-CG 3.27Å; I803-R807 WeakPolarHBondContact O-CG 3.31Å; I803-R807 PolarHBondContact O-N 3.49Å |
| 804 | R | 65.9 | Low | 63.3 | Low | 162 Ų | 162 | 88.3 Ų | 88.3 | 61% | 0.611 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 175.6 | 177.3 | -173.4 | -80.3 | 154 | -14.5 | 111.4 | K800 N801 Y802 R807 A808 | K800-R804 WeakPolarHBondContact O-CB 3.47Å; K800-R804 PolarHBondContact O-N 3.48Å; N801-R804 WeakPolarHBondContact O-CB 3.49Å; N801-R804 PolarHBondContact O-N 3.33Å; N801-R804 VanDerWaalsContact O-N 3.15Å; Y802-R804 PolarHBondContact O-N 3.5Å; R804-R807 PolarHBondContact O-N 3.38Å; R804-A808 WeakPolarHBondContact O-CB 3.47Å; R804-A808 PolarHBondContact O-N 3.03Å |
| 805 | T | 65.8 | Low | 63.5 | Low | 54 Ų | 54 | 81.4 Ų | 81.4 | 33% | 0.331 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -50.4 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 111 | N801 Y802 R807 A808 M809 L831 | N801-T805 PolarHBondContact O-N 2.91Å; N801-T805 PolarHBondContact O-OG1 2.89Å; N801-T805 VanDerWaalsContact O-OG1 3.12Å; Y802-T805 PolarHBondContact O-N 2.97Å; T805-R807 VanDerWaalsContact C-N 3.33Å; T805-R807 PolarHBondContact O-N 3.17Å; T805-A808 WeakPolarHBondContact O-CB 3.24Å; T805-A808 PolarHBondContact O-N 3.01Å; T805-A808 VanDerWaalsContact O-N 3.08Å; T805-M809 HydrophobicContact CG2-SD 4.4Å; T805-M809 WeakPolarHBondContact O-CG 3.41Å; T805-M809 PolarHBondContact O-N 2.68Å; T805-L831 HydrophobicContact CG2-CD2 3.78Å |
| 806 | A | 62.7 | Low | 63.8 | Low | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y802 A808 M809 Y810 F832 V835 Y836 | Y802-A806 PolarHBondContact O-N 2.99Å; A806-A808 VanDerWaalsContact C-N 3.35Å; A806-A808 PolarHBondContact O-N 2.86Å; A806-M809 PolarHBondContact O-N 2.9Å; A806-Y810 PolarHBondContact O-N 3.15Å; A806-Y810 VanDerWaalsContact O-N 3.11Å; A806-F832 HydrophobicContact CB-CD2 4.35Å; A806-F832 WeakPolarHBondContact O-CE2 3.23Å; A806-V835 HydrophobicContact CB-CB 3.97Å; A806-V835 HydrophobicContact CB-CG1 3.99Å; A806-V835 HydrophobicContact CB-CG2 3.91Å; A806-Y836 HydrophobicContact CB-CD2 4Å; A806-Y836 HydrophobicContact CB-CE2 3.7Å |
| 807 | R | 64 | Low | 63.5 | Low | 147 Ų | 147 | 74.7 Ų | 74.7 | 56% | 0.555 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.1 | -35.1 | 173 | -75.4 | 175.1 | -178.1 | -175.1 | 2.2 | 113.4 | I803 R804 T805 K811 Y836 | I803-R807 HydrophobicContact CG2-CG 4.45Å; I803-R807 WeakPolarHBondContact O-CB 3.37Å; I803-R807 VanDerWaalsContact O-CG 3.27Å; I803-R807 WeakPolarHBondContact O-CG 3.31Å; I803-R807 PolarHBondContact O-N 3.49Å; R804-R807 PolarHBondContact O-N 3.38Å; T805-R807 VanDerWaalsContact C-N 3.33Å; T805-R807 PolarHBondContact O-N 3.17Å; R807-K811 WeakPolarHBondContact O-CB 3.32Å; R807-K811 PolarHBondContact O-N 3.11Å; R807-Y836 WeakPolarHBondContact CG-OH 3.46Å |
| 808 | A | 69.6 | Low | 62.8 | Low | 42 Ų | 42 | 78.7 Ų | 78.7 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R804 T805 A806 K811 N812 | R804-A808 WeakPolarHBondContact O-CB 3.47Å; R804-A808 PolarHBondContact O-N 3.03Å; T805-A808 WeakPolarHBondContact O-CB 3.24Å; T805-A808 PolarHBondContact O-N 3.01Å; T805-A808 VanDerWaalsContact O-N 3.08Å; A806-A808 VanDerWaalsContact C-N 3.35Å; A806-A808 PolarHBondContact O-N 2.86Å; A808-K811 PolarHBondContact O-N 2.85Å; A808-N812 VanDerWaalsContact O-CB 3.26Å; A808-N812 WeakPolarHBondContact O-CB 3.11Å; A808-N812 PolarHBondContact O-N 3.18Å; A808-N812 PolarHBondContact O-OD1 2.81Å |
| 809 | M | 66.2 | Low | 62.8 | Low | 5 Ų | 5 | 81.7 Ų | 81.7 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 176 | -66.5 | 178.4 | 78.3 | 0 | 0 | 112.5 | T805 A806 N812 N813 I814 K828 F832 | T805-M809 HydrophobicContact CG2-SD 4.4Å; T805-M809 WeakPolarHBondContact O-CG 3.41Å; T805-M809 PolarHBondContact O-N 2.68Å; A806-M809 PolarHBondContact O-N 2.9Å; M809-N812 PolarHBondContact O-N 3.13Å; M809-N813 PolarHBondContact O-N 2.84Å; M809-I814 HydrophobicContact CB-CB 4.29Å; M809-I814 HydrophobicContact CE-CG2 3.67Å; M809-I814 HydrophobicContact CG-CD1 4.48Å; M809-I814 HydrophobicContact CG-CG2 4.41Å; M809-I814 PolarHBondContact O-N 3.36Å; M809-I814 VanDerWaalsContact O-N 3.1Å; M809-K828 HydrophobicContact CE-CB 3.85Å; M809-K828 HydrophobicContact SD-CB 3.88Å; M809-F832 HydrophobicContact CB-CD2 3.81Å; M809-F832 HydrophobicContact CB-CE2 4.28Å; M809-F832 HydrophobicContact CE-CB 4.14Å; M809-F832 HydrophobicContact SD-CB 4.06Å |
| 810 | Y | 59.7 | Low | 62.8 | Low | 142 Ų | 142 | 82.9 Ų | 82.9 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.4 | -53.8 | 171.2 | -177.2 | -95.4 | 0 | 0 | 0 | 111.3 | A806 N812 N813 F832 | A806-Y810 PolarHBondContact O-N 3.15Å; A806-Y810 VanDerWaalsContact O-N 3.11Å; Y810-N812 PolarHBondContact O-N 2.92Å; Y810-N813 PolarHBondContact O-N 3.46Å; Y810-N813 VanDerWaalsContact O-N 3.14Å; Y810-F832 HydrophobicContact CD2-CZ 4.33Å |
| 811 | K | 68.8 | Low | 62.9 | Low | 178 Ų | 178 | 82.2 Ų | 82.2 | 77% | 0.774 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.1 | -30.7 | -177.4 | -173.4 | -178.5 | 175.9 | -170.4 | 0 | 113.2 | R807 A808 | R807-K811 WeakPolarHBondContact O-CB 3.32Å; R807-K811 PolarHBondContact O-N 3.11Å; A808-K811 PolarHBondContact O-N 2.85Å |
| 812 | N | 72.3 | Confident | 63.1 | Low | 103 Ų | 103 | 81 Ų | 81 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 7 | -176.7 | -63.7 | -1.6 | 0 | 0 | 0 | 113.4 | A808 M809 Y810 I814 | A808-N812 VanDerWaalsContact O-CB 3.26Å; A808-N812 WeakPolarHBondContact O-CB 3.11Å; A808-N812 PolarHBondContact O-N 3.18Å; A808-N812 PolarHBondContact O-OD1 2.81Å; M809-N812 PolarHBondContact O-N 3.13Å; Y810-N812 PolarHBondContact O-N 2.92Å; N812-I814 HydrophobicContact CB-CD1 3.84Å; N812-I814 HydrophobicContact CB-CG1 3.88Å; N812-I814 PolarHBondContact O-N 3.24Å |
| 813 | N | 66.9 | Low | 63.4 | Low | 128 Ų | 128 | 85 Ų | 85 | 68% | 0.684 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 30.7 | -179.1 | -121.7 | 28.1 | 0 | 0 | 0 | 114.3 | M809 Y810 F815 | M809-N813 PolarHBondContact O-N 2.84Å; Y810-N813 PolarHBondContact O-N 3.46Å; Y810-N813 VanDerWaalsContact O-N 3.14Å; N813-F815 VanDerWaalsContact C-N 3.3Å; N813-F815 PolarHBondContact O-N 3.3Å |
| 814 | I | 68.6 | Low | 63.9 | Low | 31 Ų | 31 | 86 Ų | 86 | 16% | 0.159 | 42% | 0.419 | C | S | . | . | trans | -73.2 | -24.6 | -177.1 | -71.9 | 175 | 0 | 0 | 0 | 112 | M809 N812 C822 S823 D824 | M809-I814 HydrophobicContact CB-CB 4.29Å; M809-I814 HydrophobicContact CE-CG2 3.67Å; M809-I814 HydrophobicContact CG-CD1 4.48Å; M809-I814 HydrophobicContact CG-CG2 4.41Å; M809-I814 PolarHBondContact O-N 3.36Å; M809-I814 VanDerWaalsContact O-N 3.1Å; N812-I814 HydrophobicContact CB-CD1 3.84Å; N812-I814 HydrophobicContact CB-CG1 3.88Å; N812-I814 PolarHBondContact O-N 3.24Å; I814-C822 WeakPolarHBondContact O-CA 3.35Å; I814-S823 PolarHBondContact O-N 3.44Å; I814-S823 PolarHBondContact O-OG 3.32Å; I814-D824 HydrophobicContact CG2-CB 3.48Å; I814-D824 VanDerWaalsContact CG2-CB 3.48Å | ||
| 815 | F | 62.3 | Low | 64.1 | Low | 15 Ų | 15 | 82.2 Ų | 82.2 | 7% | 0.066 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.9 | 175.5 | -166.1 | -84.3 | 0 | 0 | 0 | 109.2 | N813 C822 F832 R833 W837 | N813-F815 VanDerWaalsContact C-N 3.3Å; N813-F815 PolarHBondContact O-N 3.3Å; F815-C822 HydrophobicContact CD2-CB 3.63Å; F815-C822 HydrophobicContact CE2-CB 4.06Å; F815-F832 HydrophobicContact CB-CD1 3.67Å; F815-F832 HydrophobicContact CB-CE1 3.65Å; F815-F832 HydrophobicContact CB-CG 4.28Å; F815-F832 HydrophobicContact CB-CZ 4.25Å; F815-F832 AromaticContact CD1-CD1 3.84Å; F815-F832 HydrophobicContact CD1-CD1 3.84Å; F815-F832 AromaticContact CD1-CE1 3.6Å; F815-F832 HydrophobicContact CD1-CE1 3.6Å; F815-F832 HydrophobicContact CD2-CB 4.48Å; F815-F832 AromaticContact CD2-CD1 3.47Å; F815-F832 HydrophobicContact CD2-CD1 3.47Å; F815-F832 VanDerWaalsContact CD2-CD1 3.47Å; F815-F832 HydrophobicContact CD2-CE1 4.11Å; F815-F832 HydrophobicContact CD2-CG 4.25Å; F815-F832 HydrophobicContact CE1-CD1 4.36Å; F815-F832 HydrophobicContact CE1-CE1 4.28Å; F815-F832 HydrophobicContact CE2-CD1 4.06Å; F815-F832 AromaticContact CG-CD1 3.36Å; F815-F832 HydrophobicContact CG-CD1 3.36Å; F815-F832 AromaticContact CG-CE1 3.5Å; F815-F832 HydrophobicContact CG-CE1 3.5Å; F815-F832 HydrophobicContact CG-CG 4.31Å; F815-F832 HydrophobicContact CZ-CD1 4.47Å; F815-R833 HydrophobicContact CE2-CG 3.81Å; F815-R833 HydrophobicContact CZ-CG 4.01Å; F815-W837 AromaticContact CE1-CE3 3.86Å; F815-W837 HydrophobicContact CE1-CE3 3.86Å; F815-W837 AromaticContact CE1-CZ3 3.71Å; F815-W837 HydrophobicContact CE1-CZ3 3.71Å; F815-W837 AromaticContact CZ-CE3 3.66Å; F815-W837 HydrophobicContact CZ-CE3 3.66Å; F815-W837 AromaticContact CZ-CZ3 3.63Å; F815-W837 HydrophobicContact CZ-CZ3 3.63Å |
| 816 | K | 64.2 | Low | 64.1 | Low | 125 Ų | 125 | 82.6 Ų | 82.6 | 54% | 0.543 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 103.4 | 171.4 | -69.4 | -169.6 | 170.5 | -163.7 | 0 | 108.8 | D819 N820 K821 | K816-D819 HydrophobicContact CB-CB 4.08Å; K816-D819 PolarHBondContact O-N 3.11Å; K816-N820 WeakPolarHBondContact O-CA 3.26Å; K816-N820 PolarHBondContact O-N 3.42Å; K816-K821 PolarHBondContact N-O 3.12Å; K816-K821 PolarHBondContact O-N 2.85Å |
| 817 | D | 51.7 | Low | 64 | Low | 66 Ų | 66 | 85.5 Ų | 85.5 | 35% | 0.353 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -56.6 | -51.2 | 177 | 59.6 | -42.7 | 0 | 0 | 0 | 112.1 | Q751 D819 N820 | Q751-D817 PolarHBondContact NE2-OD2 2.99Å; Q751-D817 VanDerWaalsContact NE2-OD2 3.12Å; D817-D819 PolarHBondContact O-N 3.11Å; D817-N820 PolarHBondContact O-N 3.25Å |
| 818 | E | 47.2 | Very low | 64 | Low | 147 Ų | 147 | 82.4 Ų | 82.4 | 69% | 0.687 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -52 | -27.2 | -179.8 | -65.8 | 168.1 | -165.9 | 0 | 0 | 113.6 | Q751 | Q751-E818 PolarHBondContact NE2-OE1 3.31Š|
| 819 | D | 57.9 | Low | 63.8 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -117.2 | -10.6 | -166.8 | -124.2 | -16.7 | 0 | 0 | 0 | 112.6 | K816 D817 K821 | K816-D819 HydrophobicContact CB-CB 4.08Å; K816-D819 PolarHBondContact O-N 3.11Å; D817-D819 PolarHBondContact O-N 3.11Å; D819-K821 HydrophobicContact CB-CB 4.06Å; D819-K821 HydrophobicContact CB-CD 3.96Å; D819-K821 HydrophobicContact CB-CG 3.94Å; D819-K821 PolarHBondContact O-N 3.31Å; D819-K821 VanDerWaalsContact O-N 3.11Å; D819-K821 WeakPolarHBondContact OD1-CE 3.48Å; D819-K821 IonicContact OD1-NZ 2.74Å; D819-K821 PolarHBondContact OD1-NZ 2.84Å; D819-K821 VanDerWaalsContact OD2-CD 3.3Å; D819-K821 WeakPolarHBondContact OD2-CD 3.46Å; D819-K821 VanDerWaalsContact OD2-CE 3.31Å; D819-K821 WeakPolarHBondContact OD2-CE 3.26Å; D819-K821 IonicContact OD2-NZ 3.22Å; D819-K821 PolarHBondContact OD2-NZ 3.13Å |
| 820 | N | 57.3 | Low | 63.6 | Low | 68 Ų | 68 | 81.8 Ų | 81.8 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 25.2 | -162.2 | -164.3 | -2.2 | 0 | 0 | 0 | 113.7 | K816 D817 R833 W837 | K816-N820 WeakPolarHBondContact O-CA 3.26Å; K816-N820 PolarHBondContact O-N 3.42Å; D817-N820 PolarHBondContact O-N 3.25Å; N820-R833 PolarHBondContact O-NH2 3.14Å; N820-R833 PolarHBondContact OD1-NE 3.36Å; N820-R833 PolarHBondContact OD1-NH2 3.46Å; N820-W837 HydrophobicContact CB-CH2 3.72Å; N820-W837 HydrophobicContact CB-CZ3 3.97Å; N820-W837 VanDerWaalsContact CG-CH2 3.41Å; N820-W837 WeakPolarHBondContact OD1-CZ3 3.37Å |
| 821 | K | 63.6 | Low | 63.6 | Low | 118 Ų | 118 | 76.6 Ų | 76.6 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 147.4 | 179.9 | -68.6 | 173 | -155 | 153.7 | 0 | 109.9 | K816 D819 | K816-K821 PolarHBondContact N-O 3.12Å; K816-K821 PolarHBondContact O-N 2.85Å; D819-K821 HydrophobicContact CB-CB 4.06Å; D819-K821 HydrophobicContact CB-CD 3.96Å; D819-K821 HydrophobicContact CB-CG 3.94Å; D819-K821 PolarHBondContact O-N 3.31Å; D819-K821 VanDerWaalsContact O-N 3.11Å; D819-K821 WeakPolarHBondContact OD1-CE 3.48Å; D819-K821 IonicContact OD1-NZ 2.74Å; D819-K821 PolarHBondContact OD1-NZ 2.84Å; D819-K821 VanDerWaalsContact OD2-CD 3.3Å; D819-K821 WeakPolarHBondContact OD2-CD 3.46Å; D819-K821 VanDerWaalsContact OD2-CE 3.31Å; D819-K821 WeakPolarHBondContact OD2-CE 3.26Å; D819-K821 IonicContact OD2-NZ 3.22Å; D819-K821 PolarHBondContact OD2-NZ 3.13Å |
| 822 | C | 67.5 | Low | 63.3 | Low | 31 Ų | 31 | 68.8 Ų | 68.8 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 134.4 | 178.6 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | I814 F815 C829 | I814-C822 WeakPolarHBondContact O-CA 3.35Å; F815-C822 HydrophobicContact CD2-CB 3.63Å; F815-C822 HydrophobicContact CE2-CB 4.06Å; C822-C829 HydrophobicContact CB-CB 3.57Å; C822-C829 WeakPolarHBondContact CB-SG 3.39Å; C822-C829 VanDerWaalsContact SG-CA 3.52Å; C822-C829 WeakPolarHBondContact SG-CB 3.48Å; C822-C829 CovalentContact SG-SG 2.02Å; C822-C829 PolarHBondContact SG-SG 2.93Å |
| 823 | S | 69.5 | Low | 62.8 | Low | 106 Ų | 106 | 65.9 Ų | 65.9 | 74% | 0.741 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -102.1 | 11.3 | -168.6 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | I814 | I814-S823 PolarHBondContact O-N 3.44Å; I814-S823 PolarHBondContact O-OG 3.32Å |
| 824 | D | 69.4 | Low | 62.4 | Low | 59 Ų | 59 | 60.3 Ų | 60.3 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -120.4 | -176.8 | 178.6 | -162.5 | -8.8 | 0 | 0 | 0 | 109.6 | I814 K828 C829 | I814-D824 HydrophobicContact CG2-CB 3.48Å; I814-D824 VanDerWaalsContact CG2-CB 3.48Å; D824-K828 HydrophobicContact CB-CD 4.38Å; D824-K828 WeakPolarHBondContact OD1-CD 3.45Å; D824-K828 IonicContact OD1-NZ 3.48Å; D824-K828 PolarHBondContact OD1-NZ 2.91Å; D824-K828 WeakPolarHBondContact OD2-CD 3.5Å; D824-K828 IonicContact OD2-NZ 3.26Å; D824-K828 PolarHBondContact OD2-NZ 3.28Å; D824-C829 PolarHBondContact O-SG 3.03Å |
| 825 | D | 71.9 | Confident | 61.7 | Low | 82 Ų | 82 | 59.3 Ų | 59.3 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | trans | -49.3 | 139.5 | 179.3 | 153.6 | 63.2 | 0 | 0 | 0 | 113.4 | A827 K828 C829 | D825-A827 VanDerWaalsContact C-N 3.29Å; D825-A827 VanDerWaalsContact CG-N 3.33Å; D825-A827 PolarHBondContact O-N 3.26Å; D825-A827 PolarHBondContact OD1-N 3.45Å; D825-A827 VanDerWaalsContact OD1-N 3.16Å; D825-A827 WeakPolarHBondContact OD2-CA 3.34Å; D825-A827 VanDerWaalsContact OD2-CB 3.29Å; D825-A827 WeakPolarHBondContact OD2-CB 3.47Å; D825-A827 PolarHBondContact OD2-N 3.1Å; D825-A827 VanDerWaalsContact OD2-N 3.09Å; D825-K828 HydrophobicContact CB-CD 4.14Å; D825-K828 HydrophobicContact CB-CG 4.29Å; D825-K828 WeakPolarHBondContact O-CB 3.15Å; D825-K828 PolarHBondContact O-N 3.43Å; D825-K828 VanDerWaalsContact O-N 3.11Å; D825-K828 PolarHBondContact OD2-N 3.15Å; D825-C829 PolarHBondContact O-N 2.92Å; D825-C829 PolarHBondContact O-SG 3.38Å | ||
| 826 | A | 64.7 | Low | 61.4 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 51% | 0.512 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.7 | -39.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | C829 N830 | A826-C829 PolarHBondContact O-N 3.18Å; A826-N830 VanDerWaalsContact O-CB 3.29Å; A826-N830 WeakPolarHBondContact O-CB 3.42Å; A826-N830 PolarHBondContact O-N 2.96Å; A826-N830 PolarHBondContact O-ND2 2.96Å; A826-N830 PolarHBondContact O-OD1 2.66Å |
| 827 | A | 61.2 | Low | 60.9 | Low | 62 Ų | 62 | 61 Ų | 61 | 51% | 0.512 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D825 N830 L831 | D825-A827 VanDerWaalsContact C-N 3.29Å; D825-A827 VanDerWaalsContact CG-N 3.33Å; D825-A827 PolarHBondContact O-N 3.26Å; D825-A827 PolarHBondContact OD1-N 3.45Å; D825-A827 VanDerWaalsContact OD1-N 3.16Å; D825-A827 WeakPolarHBondContact OD2-CA 3.34Å; D825-A827 VanDerWaalsContact OD2-CB 3.29Å; D825-A827 WeakPolarHBondContact OD2-CB 3.47Å; D825-A827 PolarHBondContact OD2-N 3.1Å; D825-A827 VanDerWaalsContact OD2-N 3.09Å; A827-N830 PolarHBondContact O-N 2.85Å; A827-L831 WeakPolarHBondContact O-CB 3.49Å; A827-L831 PolarHBondContact O-N 3.27Å |
| 828 | K | 64.2 | Low | 60.9 | Low | 82 Ų | 82 | 58.8 Ų | 58.8 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 170.4 | -64.1 | 173.6 | -173.1 | 171.1 | 0 | 112.9 | M809 D824 D825 N830 L831 F832 | M809-K828 HydrophobicContact CE-CB 3.85Å; M809-K828 HydrophobicContact SD-CB 3.88Å; D824-K828 HydrophobicContact CB-CD 4.38Å; D824-K828 WeakPolarHBondContact OD1-CD 3.45Å; D824-K828 IonicContact OD1-NZ 3.48Å; D824-K828 PolarHBondContact OD1-NZ 2.91Å; D824-K828 WeakPolarHBondContact OD2-CD 3.5Å; D824-K828 IonicContact OD2-NZ 3.26Å; D824-K828 PolarHBondContact OD2-NZ 3.28Å; D825-K828 HydrophobicContact CB-CD 4.14Å; D825-K828 HydrophobicContact CB-CG 4.29Å; D825-K828 WeakPolarHBondContact O-CB 3.15Å; D825-K828 PolarHBondContact O-N 3.43Å; D825-K828 VanDerWaalsContact O-N 3.11Å; D825-K828 PolarHBondContact OD2-N 3.15Å; K828-N830 PolarHBondContact O-N 2.87Å; K828-L831 WeakPolarHBondContact O-CA 3.09Å; K828-L831 WeakPolarHBondContact O-CB 3.43Å; K828-L831 PolarHBondContact O-N 3.29Å; K828-L831 VanDerWaalsContact O-N 3.16Å; K828-F832 PolarHBondContact O-N 3.12Å |
| 829 | C | 64.7 | Low | 61 | Low | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62 | -35.1 | 177.9 | -64.8 | 0 | 0 | 0 | 0 | 111.9 | C822 D824 D825 A826 F832 R833 | C822-C829 HydrophobicContact CB-CB 3.57Å; C822-C829 WeakPolarHBondContact CB-SG 3.39Å; C822-C829 VanDerWaalsContact SG-CA 3.52Å; C822-C829 WeakPolarHBondContact SG-CB 3.48Å; C822-C829 CovalentContact SG-SG 2.02Å; C822-C829 PolarHBondContact SG-SG 2.93Å; D824-C829 PolarHBondContact O-SG 3.03Å; D825-C829 PolarHBondContact O-N 2.92Å; D825-C829 PolarHBondContact O-SG 3.38Å; A826-C829 PolarHBondContact O-N 3.18Å; C829-F832 PolarHBondContact O-N 3.02Å; C829-R833 WeakPolarHBondContact O-CG 3.25Å; C829-R833 PolarHBondContact O-N 3.45Å; C829-R833 VanDerWaalsContact O-N 3.1Å |
| 830 | N | 61.2 | Low | 60.7 | Low | 28 Ų | 28 | 52 Ų | 52 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.7 | -36.3 | 176 | -63.7 | -4.8 | 0 | 0 | 0 | 111.2 | A826 A827 K828 F832 R833 Q834 Y871 | A826-N830 VanDerWaalsContact O-CB 3.29Å; A826-N830 WeakPolarHBondContact O-CB 3.42Å; A826-N830 PolarHBondContact O-N 2.96Å; A826-N830 PolarHBondContact O-ND2 2.96Å; A826-N830 PolarHBondContact O-OD1 2.66Å; A827-N830 PolarHBondContact O-N 2.85Å; K828-N830 PolarHBondContact O-N 2.87Å; N830-F832 VanDerWaalsContact C-N 3.34Å; N830-F832 PolarHBondContact O-N 2.89Å; N830-R833 PolarHBondContact O-N 2.82Å; N830-R833 PolarHBondContact OD1-NH1 3.13Å; N830-Q834 WeakPolarHBondContact O-CG 3.46Å; N830-Q834 PolarHBondContact O-N 3.01Å; N830-Y871 HydrophobicContact CB-CE1 3.88Å; N830-Y871 PolarHBondContact ND2-OH 3.05Å; N830-Y871 PolarHBondContact OD1-OH 3.49Å |
| 831 | L | 60.9 | Low | 60.5 | Low | 34 Ų | 34 | 54.1 Ų | 54.1 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.1 | -50.9 | 166.5 | -141.1 | 86.2 | 0 | 0 | 0 | 111.1 | M788 Y802 T805 A827 K828 Q834 V835 | M788-L831 HydrophobicContact CE-CD1 4.07Å; Y802-L831 HydrophobicContact CD2-CD1 3.68Å; Y802-L831 HydrophobicContact CD2-CD2 3.88Å; Y802-L831 HydrophobicContact CD2-CG 3.65Å; Y802-L831 HydrophobicContact CE2-CD1 3.42Å; Y802-L831 VanDerWaalsContact CE2-CD1 3.42Å; Y802-L831 HydrophobicContact CE2-CD2 4.17Å; Y802-L831 HydrophobicContact CE2-CG 3.42Å; Y802-L831 VanDerWaalsContact CE2-CG 3.42Å; T805-L831 HydrophobicContact CG2-CD2 3.78Å; A827-L831 WeakPolarHBondContact O-CB 3.49Å; A827-L831 PolarHBondContact O-N 3.27Å; K828-L831 WeakPolarHBondContact O-CA 3.09Å; K828-L831 WeakPolarHBondContact O-CB 3.43Å; K828-L831 PolarHBondContact O-N 3.29Å; K828-L831 VanDerWaalsContact O-N 3.16Å; L831-Q834 PolarHBondContact O-N 3.23Å; L831-V835 PolarHBondContact O-N 3.41Å |
| 832 | F | 63.1 | Low | 60.3 | Low | 13 Ų | 13 | 48.8 Ų | 48.8 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | -178.1 | -172 | -95.2 | 0 | 0 | 0 | 111.8 | A806 M809 Y810 F815 K828 C829 N830 Q834 V835 Y836 | A806-F832 HydrophobicContact CB-CD2 4.35Å; A806-F832 WeakPolarHBondContact O-CE2 3.23Å; M809-F832 HydrophobicContact CB-CD2 3.81Å; M809-F832 HydrophobicContact CB-CE2 4.28Å; M809-F832 HydrophobicContact CE-CB 4.14Å; M809-F832 HydrophobicContact SD-CB 4.06Å; Y810-F832 HydrophobicContact CD2-CZ 4.33Å; F815-F832 HydrophobicContact CB-CD1 3.67Å; F815-F832 HydrophobicContact CB-CE1 3.65Å; F815-F832 HydrophobicContact CB-CG 4.28Å; F815-F832 HydrophobicContact CB-CZ 4.25Å; F815-F832 AromaticContact CD1-CD1 3.84Å; F815-F832 HydrophobicContact CD1-CD1 3.84Å; F815-F832 AromaticContact CD1-CE1 3.6Å; F815-F832 HydrophobicContact CD1-CE1 3.6Å; F815-F832 HydrophobicContact CD2-CB 4.48Å; F815-F832 AromaticContact CD2-CD1 3.47Å; F815-F832 HydrophobicContact CD2-CD1 3.47Å; F815-F832 VanDerWaalsContact CD2-CD1 3.47Å; F815-F832 HydrophobicContact CD2-CE1 4.11Å; F815-F832 HydrophobicContact CD2-CG 4.25Å; F815-F832 HydrophobicContact CE1-CD1 4.36Å; F815-F832 HydrophobicContact CE1-CE1 4.28Å; F815-F832 HydrophobicContact CE2-CD1 4.06Å; F815-F832 AromaticContact CG-CD1 3.36Å; F815-F832 HydrophobicContact CG-CD1 3.36Å; F815-F832 AromaticContact CG-CE1 3.5Å; F815-F832 HydrophobicContact CG-CE1 3.5Å; F815-F832 HydrophobicContact CG-CG 4.31Å; F815-F832 HydrophobicContact CZ-CD1 4.47Å; K828-F832 PolarHBondContact O-N 3.12Å; C829-F832 PolarHBondContact O-N 3.02Å; N830-F832 VanDerWaalsContact C-N 3.34Å; N830-F832 PolarHBondContact O-N 2.89Å; F832-Q834 VanDerWaalsContact C-N 3.29Å; F832-Q834 PolarHBondContact O-N 3.09Å; F832-V835 PolarHBondContact O-N 3.47Å; F832-V835 VanDerWaalsContact O-N 3.16Å; F832-Y836 AromaticContact CD2-CD2 3.83Å; F832-Y836 HydrophobicContact CD2-CD2 3.83Å; F832-Y836 HydrophobicContact CD2-CE2 4.5Å; F832-Y836 AromaticContact CE2-CD2 3.37Å; F832-Y836 HydrophobicContact CE2-CD2 3.37Å; F832-Y836 AromaticContact CE2-CE2 3.96Å; F832-Y836 HydrophobicContact CE2-CE2 3.96Å; F832-Y836 AromaticContact CE2-CG 3.96Å; F832-Y836 HydrophobicContact CE2-CG 3.96Å; F832-Y836 AromaticContact CZ-CD2 3.83Å; F832-Y836 HydrophobicContact CZ-CD2 3.83Å; F832-Y836 AromaticContact CZ-CG 3.92Å; F832-Y836 HydrophobicContact CZ-CG 3.92Å; F832-Y836 PolarHBondContact O-N 3.39Å |
| 833 | R | 61.6 | Low | 60.4 | Low | 42 Ų | 42 | 48.3 Ų | 48.3 | 16% | 0.158 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -56.8 | -42.5 | 174.4 | -72.3 | 175.5 | 179.9 | 121.8 | 0.6 | 111.7 | F815 N820 C829 N830 V835 W837 Y871 | F815-R833 HydrophobicContact CE2-CG 3.81Å; F815-R833 HydrophobicContact CZ-CG 4.01Å; N820-R833 PolarHBondContact O-NH2 3.14Å; N820-R833 PolarHBondContact OD1-NE 3.36Å; N820-R833 PolarHBondContact OD1-NH2 3.46Å; C829-R833 WeakPolarHBondContact O-CG 3.25Å; C829-R833 PolarHBondContact O-N 3.45Å; C829-R833 VanDerWaalsContact O-N 3.1Å; N830-R833 PolarHBondContact O-N 2.82Å; N830-R833 PolarHBondContact OD1-NH1 3.13Å; R833-V835 VanDerWaalsContact C-N 3.32Å; R833-V835 PolarHBondContact O-N 2.97Å; R833-W837 HydrophobicContact CB-CB 4.21Å; R833-W837 HydrophobicContact CG-CE3 4.44Å; R833-W837 WeakPolarHBondContact O-CB 3.47Å; R833-W837 PolarHBondContact O-N 3.31Å; R833-Y871 HydrophobicContact CB-CD1 3.9Å; R833-Y871 HydrophobicContact CB-CE1 4.07Å; R833-Y871 HydrophobicContact CB-CG 4.37Å |
| 834 | Q | 57 | Low | 60.3 | Low | 12 Ų | 12 | 43.3 Ų | 43.3 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -68.5 | -25.3 | 179.2 | -70.8 | -179.5 | 11.1 | 0 | 0 | 114.5 | N830 L831 F832 Y838 Y871 | N830-Q834 WeakPolarHBondContact O-CG 3.46Å; N830-Q834 PolarHBondContact O-N 3.01Å; L831-Q834 PolarHBondContact O-N 3.23Å; F832-Q834 VanDerWaalsContact C-N 3.29Å; F832-Q834 PolarHBondContact O-N 3.09Å; Q834-Y838 WeakPolarHBondContact O-CD2 3.23Å; Q834-Y871 HydrophobicContact CG-CD1 4.1Å |
| 835 | V | 55.1 | Low | 60.4 | Low | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -88.8 | -43.5 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 112.9 | Y802 A806 L831 F832 R833 | Y802-V835 HydrophobicContact CD1-CG2 3.9Å; Y802-V835 HydrophobicContact CE1-CG2 3.24Å; A806-V835 HydrophobicContact CB-CB 3.97Å; A806-V835 HydrophobicContact CB-CG1 3.99Å; A806-V835 HydrophobicContact CB-CG2 3.91Å; L831-V835 PolarHBondContact O-N 3.41Å; F832-V835 PolarHBondContact O-N 3.47Å; F832-V835 VanDerWaalsContact O-N 3.16Å; R833-V835 VanDerWaalsContact C-N 3.32Å; R833-V835 PolarHBondContact O-N 2.97Å |
| 836 | Y | 54.7 | Low | 60.4 | Low | 63 Ų | 63 | 38.1 Ų | 38.1 | 25% | 0.247 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -115.8 | -20.3 | -164.6 | -79.5 | -76.9 | 0 | 0 | 0 | 115 | F754 A806 R807 F832 | F754-Y836 WeakPolarHBondContact CD1-O 2.98Å; F754-Y836 VanDerWaalsContact CE1-O 3.31Å; F754-Y836 WeakPolarHBondContact CE1-O 3.41Å; A806-Y836 HydrophobicContact CB-CD2 4Å; A806-Y836 HydrophobicContact CB-CE2 3.7Å; R807-Y836 WeakPolarHBondContact CG-OH 3.46Å; F832-Y836 AromaticContact CD2-CD2 3.83Å; F832-Y836 HydrophobicContact CD2-CD2 3.83Å; F832-Y836 HydrophobicContact CD2-CE2 4.5Å; F832-Y836 AromaticContact CE2-CD2 3.37Å; F832-Y836 HydrophobicContact CE2-CD2 3.37Å; F832-Y836 AromaticContact CE2-CE2 3.96Å; F832-Y836 HydrophobicContact CE2-CE2 3.96Å; F832-Y836 AromaticContact CE2-CG 3.96Å; F832-Y836 HydrophobicContact CE2-CG 3.96Å; F832-Y836 AromaticContact CZ-CD2 3.83Å; F832-Y836 HydrophobicContact CZ-CD2 3.83Å; F832-Y836 AromaticContact CZ-CG 3.92Å; F832-Y836 HydrophobicContact CZ-CG 3.92Å; F832-Y836 PolarHBondContact O-N 3.39Å |
| 837 | W | 53.6 | Low | 61.1 | Low | 111 Ų | 111 | 41.8 Ų | 41.8 | 42% | 0.42 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -79.5 | -22.8 | 177.5 | -164.3 | -73.7 | 0 | 0 | 0 | 112.2 | F815 N820 R833 | F815-W837 AromaticContact CE1-CE3 3.86Å; F815-W837 HydrophobicContact CE1-CE3 3.86Å; F815-W837 AromaticContact CE1-CZ3 3.71Å; F815-W837 HydrophobicContact CE1-CZ3 3.71Å; F815-W837 AromaticContact CZ-CE3 3.66Å; F815-W837 HydrophobicContact CZ-CE3 3.66Å; F815-W837 AromaticContact CZ-CZ3 3.63Å; F815-W837 HydrophobicContact CZ-CZ3 3.63Å; N820-W837 HydrophobicContact CB-CH2 3.72Å; N820-W837 HydrophobicContact CB-CZ3 3.97Å; N820-W837 VanDerWaalsContact CG-CH2 3.41Å; N820-W837 WeakPolarHBondContact OD1-CZ3 3.37Å; R833-W837 HydrophobicContact CB-CB 4.21Å; R833-W837 HydrophobicContact CG-CE3 4.44Å; R833-W837 WeakPolarHBondContact O-CB 3.47Å; R833-W837 PolarHBondContact O-N 3.31Å |
| 838 | Y | 51.9 | Low | 61.8 | Low | 21 Ų | 21 | 39.6 Ų | 39.6 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -80.1 | 129.7 | 174.3 | -73.5 | -79.2 | 0 | 0 | 0 | 111.2 | Q834 A840 Y860 P870 Y871 | Q834-Y838 WeakPolarHBondContact O-CD2 3.23Å; Y838-A840 PolarHBondContact O-N 3.04Å; Y838-Y860 HydrophobicContact CD1-CD2 4.19Å; Y838-Y860 AromaticContact CD1-CE2 3.44Å; Y838-Y860 HydrophobicContact CD1-CE2 3.44Å; Y838-Y860 VanDerWaalsContact CD1-CE2 3.44Å; Y838-Y860 AromaticContact CD1-CZ 3.94Å; Y838-Y860 AromaticContact CE1-CE2 3.5Å; Y838-Y860 HydrophobicContact CE1-CE2 3.5Å; Y838-Y860 AromaticContact CE1-CZ 3.54Å; Y838-Y860 WeakPolarHBondContact CE1-OH 3.17Å; Y838-Y860 HydrophobicContact CG-CD2 4.39Å; Y838-Y860 AromaticContact CG-CE2 4Å; Y838-Y860 HydrophobicContact CG-CE2 4Å; Y838-Y860 AromaticContact CZ-CZ 3.66Å; Y838-Y860 VanDerWaalsContact CZ-OH 3.24Å; Y838-Y860 PolarHBondContact OH-OH 2.91Å; Y838-Y860 VanDerWaalsContact OH-OH 3.07Å; Y838-P870 WeakPolarHBondContact OH-CA 3.46Å; Y838-Y871 VanDerWaalsContact OH-C 3.25Å; Y838-Y871 WeakPolarHBondContact OH-CA 3.38Å; Y838-Y871 PolarHBondContact OH-N 2.83Å; Y838-Y871 PolarHBondContact OH-O 3.48Å |
| 839 | E | 49.5 | Very low | 62.6 | Low | 72 Ų | 72 | 40 Ų | 40 | 34% | 0.336 | 19% | 0.194 | S | C | . | . | trans | -70.1 | 34.4 | 171.3 | -54.5 | 155 | 137.8 | 0 | 0 | 112.1 | H841 Q864 N865 | E839-H841 PolarHBondContact O-N 2.9Å; E839-H841 VanDerWaalsContact O-N 3.12Å; E839-Q864 HydrophobicContact CB-CB 4.01Å; E839-Q864 HydrophobicContact CG-CB 4.14Å; E839-Q864 WeakPolarHBondContact OE1-CB 3.42Å; E839-Q864 WeakPolarHBondContact OE2-CA 3.27Å; E839-Q864 VanDerWaalsContact OE2-CB 3.23Å; E839-Q864 WeakPolarHBondContact OE2-CB 3.43Å; E839-Q864 PolarHBondContact OE2-N 3.15Å; E839-N865 PolarHBondContact OE2-N 3.4Å | ||
| 840 | A | 52 | Low | 63.1 | Low | 10 Ų | 10 | 40.7 Ų | 40.7 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | trans | -64.7 | 112.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V758 Y838 A842 Y860 | V758-A840 HydrophobicContact CG1-CB 3.96Å; V758-A840 WeakPolarHBondContact CG1-O 3.37Å; V758-A840 HydrophobicContact CG2-CB 4.42Å; Y838-A840 PolarHBondContact O-N 3.04Å; A840-A842 PolarHBondContact O-N 2.86Å; A840-Y860 HydrophobicContact CB-CD2 4.42Å | ||
| 841 | H | 53.4 | Low | 64 | Low | 114 Ų | 114 | 42.5 Ų | 42.5 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -64 | -37.3 | 170.9 | -152.5 | 108.5 | 0 | 0 | 0 | 110.7 | T759 E839 T861 | T759-H841 PolarHBondContact N-O 3.29Å; T759-H841 PolarHBondContact OG1-O 3.02Å; E839-H841 PolarHBondContact O-N 2.9Å; E839-H841 VanDerWaalsContact O-N 3.12Å; H841-T861 PolarHBondContact N-OG1 3.49Å |
| 842 | A | 59.9 | Low | 64.8 | Low | 5 Ų | 5 | 47.8 Ų | 47.8 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 156.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T759 D761 A840 Y860 T861 | T759-A842 CarbonylContact O-C 3.46Å; T759-A842 WeakPolarHBondContact O-CA 3.5Å; T759-A842 WeakPolarHBondContact O-CB 3.41Å; T759-A842 WeakPolarHBondContact OG1-CB 3.3Å; D761-A842 HydrophobicContact CB-CB 3.75Å; A840-A842 PolarHBondContact O-N 2.86Å; A842-Y860 WeakPolarHBondContact O-CA 3.45Å; A842-T861 HydrophobicContact CB-CG2 3.75Å; A842-T861 PolarHBondContact N-OG1 3.17Å; A842-T861 VanDerWaalsContact N-OG1 3.13Å; A842-T861 PolarHBondContact O-N 3.05Å; A842-T861 PolarHBondContact O-OG1 3.16Å |
| 843 | M | 69 | Low | 65.2 | Low | 22 Ų | 22 | 50.4 Ų | 50.4 | 11% | 0.108 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.7 | 170.5 | 68 | 169.3 | 56.3 | 0 | 0 | 110.4 | V758 T759 I760 D761 A859 | V758-M843 HydrophobicContact CB-CE 4.11Å; V758-M843 HydrophobicContact CB-CG 4.46Å; V758-M843 HydrophobicContact CG1-CB 3.8Å; V758-M843 HydrophobicContact CG1-CE 3.86Å; V758-M843 HydrophobicContact CG1-CG 3.65Å; V758-M843 HydrophobicContact CG1-SD 4.46Å; V758-M843 HydrophobicContact CG2-CE 4.26Å; T759-M843 PolarHBondContact O-N 3.03Å; I760-M843 CarbonylContact C-O 3.56Å; I760-M843 WeakPolarHBondContact CA-O 3.43Å; I760-M843 HydrophobicContact CD1-CG 3.79Å; I760-M843 HydrophobicContact CD1-SD 4.26Å; D761-M843 PolarHBondContact N-O 2.88Å; M843-A859 CarbonylContact C-O 3.45Å; M843-A859 VanDerWaalsContact CA-O 3.27Å; M843-A859 WeakPolarHBondContact CA-O 3.2Å |
| 844 | G | 67.5 | Low | 65.6 | Low | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | C858 A859 | G844-C858 WeakPolarHBondContact O-CA 3.47Å; G844-A859 PolarHBondContact N-O 2.97Å; G844-A859 PolarHBondContact O-N 3.21Å |
| 845 | C | 72.1 | Confident | 66.4 | Low | 24 Ų | 24 | 49.5 Ų | 49.5 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.6 | -178.9 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | I799 V857 C858 | I799-C845 HydrophobicContact CD1-CB 3.63Å; I799-C845 HydrophobicContact CG1-CB 4.03Å; I799-C845 HydrophobicContact CG2-CB 4.41Å; C845-V857 CarbonylContact C-O 3.47Å; C845-V857 WeakPolarHBondContact CA-O 3.35Å; C845-C858 HydrophobicContact CB-CB 4.15Å; C845-C858 WeakPolarHBondContact CB-SG 3.45Å; C845-C858 WeakPolarHBondContact SG-CB 3.47Å; C845-C858 CovalentContact SG-SG 2.05Å; C845-C858 PolarHBondContact SG-SG 3.08Å |
| 846 | G | 71.6 | Confident | 67 | Low | 8 Ų | 8 | 49.1 Ų | 49.1 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 164.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | V856 V857 | G846-V856 WeakPolarHBondContact O-CA 3.4Å; G846-V857 PolarHBondContact N-O 3.11Å; G846-V857 PolarHBondContact O-N 2.77Å |
| 847 | K | 78.1 | Confident | 67.8 | Low | 139 Ų | 139 | 46.2 Ų | 46.2 | 60% | 0.604 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 149.9 | 177.1 | 69.3 | 178.8 | -177.4 | 179.5 | 0 | 112.3 | V854 H855 V856 | K847-V854 HydrophobicContact CB-CG1 4.31Å; K847-H855 CarbonylContact C-O 3.51Å; K847-H855 WeakPolarHBondContact CA-O 3.36Å; K847-V856 HydrophobicContact CB-CG2 4.27Å |
| 848 | A | 77.7 | Confident | 68.5 | Low | 17 Ų | 17 | 41.6 Ų | 41.6 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 165.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | A772 A773 V854 H855 | A772-A848 HydrophobicContact CB-CB 3.96Å; A772-A848 VanDerWaalsContact O-CB 3.24Å; A772-A848 WeakPolarHBondContact O-CB 3.37Å; A773-A848 HydrophobicContact CB-CB 4.44Å; A848-V854 CarbonylContact O-C 3.48Å; A848-V854 WeakPolarHBondContact O-CA 3.46Å; A848-H855 PolarHBondContact N-O 2.79Å; A848-H855 PolarHBondContact O-N 2.91Å |
| 849 | T | 79.6 | Confident | 69.3 | Low | 90 Ų | 90 | 40.7 Ų | 40.7 | 55% | 0.552 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.7 | 172.6 | -52.4 | 0 | 0 | 0 | 0 | 108.6 | G851 | T849-G851 WeakPolarHBondContact CG2-O 3.43Å |
| 850 | C | 76 | Confident | 70.1 | Confident | 19 Ų | 19 | 38 Ų | 38 | 13% | 0.128 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 91.1 | -172.1 | -59.6 | 0 | 0 | 0 | 0 | 108 | C775 N852 N853 H855 | C775-C850 WeakPolarHBondContact CA-SG 3.34Å; C775-C850 HydrophobicContact CB-CB 3.73Å; C775-C850 WeakPolarHBondContact CB-SG 3.5Å; C775-C850 VanDerWaalsContact SG-CA 3.53Å; C775-C850 WeakPolarHBondContact SG-CB 3.49Å; C775-C850 CovalentContact SG-SG 2.03Å; C775-C850 PolarHBondContact SG-SG 3.49Å; C850-N852 PolarHBondContact O-N 2.84Å; C850-N853 PolarHBondContact N-O 2.65Å; C850-N853 PolarHBondContact O-N 2.94Å; C850-N853 VanDerWaalsContact O-N 3.12Å; C850-H855 VanDerWaalsContact SG-CG 3.51Å |
| 851 | G | 80 | Confident | 70.4 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 69% | 0.691 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -126.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111 | T849 N853 | T849-G851 WeakPolarHBondContact CG2-O 3.43Å; G851-N853 VanDerWaalsContact C-N 3.31Å |
| 852 | N | 78.2 | Confident | 70.4 | Confident | 145 Ų | 145 | 41.3 Ų | 41.3 | 78% | 0.775 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8.7 | 178.1 | -71.6 | -21.3 | 0 | 0 | 0 | 114.2 | C850 | C850-N852 PolarHBondContact O-N 2.84Š|
| 853 | N | 71.6 | Confident | 69.7 | Low | 67 Ų | 67 | 42.5 Ų | 42.5 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 147.2 | -177.7 | -67.3 | -40.5 | 0 | 0 | 0 | 112 | G792 C850 G851 | G792-N853 CarbonylContact O-C 3.5Å; G792-N853 WeakPolarHBondContact O-CA 3.34Å; C850-N853 PolarHBondContact N-O 2.65Å; C850-N853 PolarHBondContact O-N 2.94Å; C850-N853 VanDerWaalsContact O-N 3.12Å; G851-N853 VanDerWaalsContact C-N 3.31Å |
| 854 | V | 69.8 | Low | 68.2 | Low | 23 Ų | 23 | 47.9 Ų | 47.9 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.6 | 161.4 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | I790 S791 G792 K794 K847 A848 V856 | I790-V854 VanDerWaalsContact O-O 3.08Å; S791-V854 WeakPolarHBondContact CA-O 3.36Å; G792-V854 PolarHBondContact N-O 3.24Å; G792-V854 PolarHBondContact O-N 3.34Å; K794-V854 HydrophobicContact CB-CG2 4.42Å; K794-V854 HydrophobicContact CG-CG2 3.92Å; K847-V854 HydrophobicContact CB-CG1 4.31Å; A848-V854 CarbonylContact O-C 3.48Å; A848-V854 WeakPolarHBondContact O-CA 3.46Å; V854-V856 HydrophobicContact CG1-CG2 4.17Å |
| 855 | H | 72.6 | Confident | 66.9 | Low | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.8 | 169.9 | -77.2 | -148 | 0 | 0 | 0 | 108.2 | C775 I790 S791 K847 A848 C850 | C775-H855 PolarHBondContact O-CE1 2.78Å; C775-H855 VanDerWaalsContact O-CE1 3.28Å; I790-H855 CarbonylContact O-C 3.56Å; I790-H855 WeakPolarHBondContact O-CA 3.43Å; S791-H855 PolarHBondContact OG-CD2 3.17Å; S791-H855 PolarHBondContact OG-CE1 2.89Å; S791-H855 VanDerWaalsContact OG-CE1 3.3Å; S791-H855 PolarHBondContact OG-NE2 3.37Å; K847-H855 CarbonylContact C-O 3.51Å; K847-H855 WeakPolarHBondContact CA-O 3.36Å; A848-H855 PolarHBondContact N-O 2.79Å; A848-H855 PolarHBondContact O-N 2.91Å; C850-H855 VanDerWaalsContact SG-CG 3.51Å |
| 856 | V | 68.8 | Low | 65.3 | Low | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.4 | 171.8 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | V789 I790 P798 I799 G846 K847 V854 | V789-V856 CarbonylContact C-O 3.48Å; V789-V856 WeakPolarHBondContact CA-O 3.5Å; I790-V856 HydrophobicContact CB-CB 4.16Å; I790-V856 PolarHBondContact N-O 3.28Å; I790-V856 PolarHBondContact O-N 3.31Å; P798-V856 HydrophobicContact CB-CG2 4.03Å; P798-V856 HydrophobicContact CG-CG2 3.57Å; I799-V856 HydrophobicContact CD1-CG1 4.06Å; I799-V856 HydrophobicContact CG1-CG1 3.71Å; G846-V856 WeakPolarHBondContact O-CA 3.4Å; K847-V856 HydrophobicContact CB-CG2 4.27Å; V854-V856 HydrophobicContact CG1-CG2 4.17Å |
| 857 | V | 71.2 | Confident | 63.9 | Low | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142.2 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | A768 V771 A772 L786 M788 V789 C845 G846 | A768-V857 HydrophobicContact CB-CB 4.28Å; A768-V857 HydrophobicContact CB-CG1 4.07Å; A768-V857 WeakPolarHBondContact CB-O 3.37Å; V771-V857 HydrophobicContact CB-CG1 4.18Å; V771-V857 HydrophobicContact CG1-CG1 4.07Å; V771-V857 HydrophobicContact CG1-CG2 4.25Å; A772-V857 HydrophobicContact CB-CB 4.16Å; A772-V857 HydrophobicContact CB-CG2 3.76Å; L786-V857 HydrophobicContact CD2-CG1 3.55Å; L786-V857 HydrophobicContact CG-CG1 4.26Å; M788-V857 WeakPolarHBondContact O-CA 3.33Å; V789-V857 HydrophobicContact CG2-CG2 4.38Å; C845-V857 CarbonylContact C-O 3.47Å; C845-V857 WeakPolarHBondContact CA-O 3.35Å; G846-V857 PolarHBondContact N-O 3.11Å; G846-V857 PolarHBondContact O-N 2.77Å |
| 858 | C | 68 | Low | 62.1 | Low | 14 Ų | 14 | 53.2 Ų | 53.2 | 10% | 0.095 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125 | 174.2 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | A787 M788 G844 C845 | A787-C858 PolarHBondContact N-O 3.24Å; A787-C858 VanDerWaalsContact N-O 3.13Å; M788-C858 PolarHBondContact O-N 3.39Å; G844-C858 WeakPolarHBondContact O-CA 3.47Å; C845-C858 HydrophobicContact CB-CB 4.15Å; C845-C858 WeakPolarHBondContact CB-SG 3.45Å; C845-C858 WeakPolarHBondContact SG-CB 3.47Å; C845-C858 CovalentContact SG-SG 2.05Å; C845-C858 PolarHBondContact SG-SG 3.08Å |
| 859 | A | 69 | Low | 60.3 | Low | 2 Ų | 2 | 57.8 Ų | 57.8 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 152.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L764 A768 G785 L786 M843 G844 | L764-A859 HydrophobicContact CB-CB 4.35Å; L764-A859 HydrophobicContact CD2-CB 4.14Å; A768-A859 HydrophobicContact CB-CB 4.3Å; G785-A859 CarbonylContact O-C 3.58Å; G785-A859 VanDerWaalsContact O-CA 3.23Å; G785-A859 WeakPolarHBondContact O-CA 3.34Å; L786-A859 HydrophobicContact CD1-CB 3.71Å; L786-A859 HydrophobicContact CG-CB 4.06Å; M843-A859 CarbonylContact C-O 3.45Å; M843-A859 VanDerWaalsContact CA-O 3.27Å; M843-A859 WeakPolarHBondContact CA-O 3.2Å; G844-A859 PolarHBondContact N-O 2.97Å; G844-A859 PolarHBondContact O-N 3.21Å |
| 860 | Y | 66.4 | Low | 58.3 | Low | 17 Ų | 17 | 54.8 Ų | 54.8 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.8 | -177.8 | 59.1 | -81.8 | 0 | 0 | 0 | 112 | G785 A787 Y838 A840 A842 | G785-Y860 VanDerWaalsContact CA-CZ 3.43Å; G785-Y860 PolarHBondContact N-O 3.15Å; G785-Y860 VanDerWaalsContact N-O 3.13Å; G785-Y860 WeakPolarHBondContact O-CD1 3.39Å; G785-Y860 WeakPolarHBondContact O-CE1 3.11Å; G785-Y860 PolarHBondContact O-N 3.06Å; A787-Y860 HydrophobicContact CB-CD1 4.1Å; A787-Y860 HydrophobicContact CB-CE1 3.64Å; Y838-Y860 HydrophobicContact CD1-CD2 4.19Å; Y838-Y860 AromaticContact CD1-CE2 3.44Å; Y838-Y860 HydrophobicContact CD1-CE2 3.44Å; Y838-Y860 VanDerWaalsContact CD1-CE2 3.44Å; Y838-Y860 AromaticContact CD1-CZ 3.94Å; Y838-Y860 AromaticContact CE1-CE2 3.5Å; Y838-Y860 HydrophobicContact CE1-CE2 3.5Å; Y838-Y860 AromaticContact CE1-CZ 3.54Å; Y838-Y860 WeakPolarHBondContact CE1-OH 3.17Å; Y838-Y860 HydrophobicContact CG-CD2 4.39Å; Y838-Y860 AromaticContact CG-CE2 4Å; Y838-Y860 HydrophobicContact CG-CE2 4Å; Y838-Y860 AromaticContact CZ-CZ 3.66Å; Y838-Y860 VanDerWaalsContact CZ-OH 3.24Å; Y838-Y860 PolarHBondContact OH-OH 2.91Å; Y838-Y860 VanDerWaalsContact OH-OH 3.07Å; A840-Y860 HydrophobicContact CB-CD2 4.42Å; A842-Y860 WeakPolarHBondContact O-CA 3.45Å |
| 861 | T | 57 | Low | 56.6 | Low | 37 Ų | 37 | 56.3 Ų | 56.3 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 156.7 | 178.1 | 57.8 | 0 | 0 | 0 | 0 | 112 | L764 H841 A842 | L764-T861 HydrophobicContact CD1-CG2 3.92Å; H841-T861 PolarHBondContact N-OG1 3.49Å; A842-T861 HydrophobicContact CB-CG2 3.75Å; A842-T861 PolarHBondContact N-OG1 3.17Å; A842-T861 VanDerWaalsContact N-OG1 3.13Å; A842-T861 PolarHBondContact O-N 3.05Å; A842-T861 PolarHBondContact O-OG1 3.16Å |
| 862 | Y | 55 | Low | 54.9 | Low | 156 Ų | 156 | 55 Ų | 55 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 155.6 | 176.9 | 171.6 | -101.3 | 0 | 0 | 0 | 114.5 | P866 | Y862-P866 WeakPolarHBondContact OH-CB 3.49Š|
| 863 | K | 44.2 | Very low | 53.1 | Low | 29 Ų | 29 | 49.7 Ų | 49.7 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 152.6 | -174.1 | -71.3 | 157.6 | 173.9 | 159.7 | 0 | 112.5 | N865 S868 P870 | K863-N865 VanDerWaalsContact C-N 3.26Å; K863-N865 WeakPolarHBondContact CB-O 3.27Å; K863-N865 PolarHBondContact O-N 3.41Å; K863-S868 WeakPolarHBondContact CE-O 3.44Å; K863-S868 PolarHBondContact NZ-O 3.37Å; K863-P870 VanDerWaalsContact NZ-N 3.17Å |
| 864 | Q | 38.2 | Very low | 51.6 | Low | 136 Ų | 136 | 47 Ų | 47 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -70.9 | -27.6 | 170 | -141.4 | 168.1 | -53.7 | 0 | 0 | 111.1 | E839 | E839-Q864 HydrophobicContact CB-CB 4.01Å; E839-Q864 HydrophobicContact CG-CB 4.14Å; E839-Q864 WeakPolarHBondContact OE1-CB 3.42Å; E839-Q864 WeakPolarHBondContact OE2-CA 3.27Å; E839-Q864 VanDerWaalsContact OE2-CB 3.23Å; E839-Q864 WeakPolarHBondContact OE2-CB 3.43Å; E839-Q864 PolarHBondContact OE2-N 3.15Å |
| 865 | N | 40.7 | Very low | 50.1 | Low | 65 Ų | 65 | 50.2 Ų | 50.2 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -114 | 111.8 | 169.6 | -176.9 | -4.4 | 0 | 0 | 0 | 112.5 | E839 K863 N867 S868 | E839-N865 PolarHBondContact OE2-N 3.4Å; K863-N865 VanDerWaalsContact C-N 3.26Å; K863-N865 WeakPolarHBondContact CB-O 3.27Å; K863-N865 PolarHBondContact O-N 3.41Å; N865-N867 PolarHBondContact O-N 3.4Å; N865-N867 VanDerWaalsContact O-N 3.17Å; N865-N867 VanDerWaalsContact OD1-CB 3.28Å; N865-N867 WeakPolarHBondContact OD1-CB 3.45Å; N865-N867 PolarHBondContact OD1-N 3.4Å; N865-N867 PolarHBondContact OD1-ND2 3.43Å; N865-S868 PolarHBondContact O-N 2.93Å |
| 866 | P | 38.2 | Very low | 48.5 | Very low | 81 Ų | 81 | 60 Ų | 60 | 53% | 0.526 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.2 | 176.4 | 13.8 | -24.9 | 0 | 0 | 0 | 114.3 | Y862 S868 | Y862-P866 WeakPolarHBondContact OH-CB 3.49Å; P866-S868 VanDerWaalsContact C-N 3.34Å |
| 867 | N | 40.6 | Very low | 47.4 | Very low | 91 Ų | 91 | 63.9 Ų | 63.9 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -17.3 | -176.2 | -50 | -88.3 | 0 | 0 | 0 | 112.7 | N865 I869 R1066 | N865-N867 PolarHBondContact O-N 3.4Å; N865-N867 VanDerWaalsContact O-N 3.17Å; N865-N867 VanDerWaalsContact OD1-CB 3.28Å; N865-N867 WeakPolarHBondContact OD1-CB 3.45Å; N865-N867 PolarHBondContact OD1-N 3.4Å; N865-N867 PolarHBondContact OD1-ND2 3.43Å; N867-I869 PolarHBondContact O-N 2.9Å; N867-R1066 PolarHBondContact OD1-NH1 3.42Å; N867-R1066 PolarHBondContact OD1-NH2 3.43Å |
| 868 | S | 42.1 | Very low | 46.2 | Very low | 45 Ų | 45 | 66.6 Ų | 66.6 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -62.9 | 128.5 | 179.1 | -73.8 | 0 | 0 | 0 | 0 | 110.6 | K863 N865 P866 | K863-S868 WeakPolarHBondContact CE-O 3.44Å; K863-S868 PolarHBondContact NZ-O 3.37Å; N865-S868 PolarHBondContact O-N 2.93Å; P866-S868 VanDerWaalsContact C-N 3.34Å |
| 869 | I | 38.7 | Very low | 45.3 | Very low | 113 Ų | 113 | 68.5 Ų | 68.5 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 137.8 | 179.5 | -54.6 | 176 | 0 | 0 | 0 | 109.1 | N867 Y871 K895 | N867-I869 PolarHBondContact O-N 2.9Å; I869-Y871 PolarHBondContact O-N 3.41Å; I869-K895 HydrophobicContact CG2-CD 4.3Å |
| 870 | P | 38.6 | Very low | 44.4 | Very low | 27 Ų | 27 | 71.6 Ų | 71.6 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 121.1 | 167.6 | -12.8 | 26.5 | 0 | 0 | 0 | 109.5 | Y838 K863 I872 | Y838-P870 WeakPolarHBondContact OH-CA 3.46Å; K863-P870 VanDerWaalsContact NZ-N 3.17Å; P870-I872 HydrophobicContact CB-CD1 4.13Å; P870-I872 HydrophobicContact CB-CG1 4.09Å; P870-I872 PolarHBondContact O-N 3.24Å |
| 871 | Y | 40.5 | Very low | 43.7 | Very low | 52 Ų | 52 | 81 Ų | 81 | 20% | 0.204 | 43% | 0.429 | C | S | . | . | trans | -72.2 | 80.8 | 163.5 | -159.1 | -96.1 | 0 | 0 | 0 | 109.7 | N830 R833 Q834 Y838 I869 V873 | N830-Y871 HydrophobicContact CB-CE1 3.88Å; N830-Y871 PolarHBondContact ND2-OH 3.05Å; N830-Y871 PolarHBondContact OD1-OH 3.49Å; R833-Y871 HydrophobicContact CB-CD1 3.9Å; R833-Y871 HydrophobicContact CB-CE1 4.07Å; R833-Y871 HydrophobicContact CB-CG 4.37Å; Q834-Y871 HydrophobicContact CG-CD1 4.1Å; Y838-Y871 VanDerWaalsContact OH-C 3.25Å; Y838-Y871 WeakPolarHBondContact OH-CA 3.38Å; Y838-Y871 PolarHBondContact OH-N 2.83Å; Y838-Y871 PolarHBondContact OH-O 3.48Å; I869-Y871 PolarHBondContact O-N 3.41Å; Y871-V873 HydrophobicContact CD1-CG2 4.2Å; Y871-V873 HydrophobicContact CE1-CB 4.46Å; Y871-V873 HydrophobicContact CE1-CG2 3.45Å; Y871-V873 VanDerWaalsContact CE1-CG2 3.45Å; Y871-V873 HydrophobicContact CE2-CG2 4.36Å; Y871-V873 WeakPolarHBondContact OH-CG2 3.46Å | ||
| 872 | I | 42.5 | Very low | 43.4 | Very low | 38 Ų | 38 | 81 Ų | 81 | 20% | 0.195 | 43% | 0.426 | C | S | . | . | trans | -93.5 | 132.2 | 163.7 | -63.4 | 165.9 | 0 | 0 | 0 | 106.1 | P870 | P870-I872 HydrophobicContact CB-CD1 4.13Å; P870-I872 HydrophobicContact CB-CG1 4.09Å; P870-I872 PolarHBondContact O-N 3.24Å | ||
| 873 | V | 41.2 | Very low | 43.3 | Very low | 34 Ų | 34 | 74.7 Ų | 74.7 | 21% | 0.206 | 41% | 0.405 | C | S | . | . | trans | -131.8 | 110.1 | 165.6 | 171.4 | 0 | 0 | 0 | 0 | 105.8 | Y871 | Y871-V873 HydrophobicContact CD1-CG2 4.2Å; Y871-V873 HydrophobicContact CE1-CB 4.46Å; Y871-V873 HydrophobicContact CE1-CG2 3.45Å; Y871-V873 VanDerWaalsContact CE1-CG2 3.45Å; Y871-V873 HydrophobicContact CE2-CG2 4.36Å; Y871-V873 WeakPolarHBondContact OH-CG2 3.46Å | ||
| 874 | A | 39.8 | Very low | 43.7 | Very low | 11 Ų | 11 | 74.7 Ų | 74.7 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 148.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I878 L882 W890 | A874-I878 HydrophobicContact CB-CB 4.39Å; A874-I878 HydrophobicContact CB-CD1 4.48Å; A874-L882 HydrophobicContact CB-CD1 4.34Å; A874-W890 HydrophobicContact CB-CH2 4Å |
| 875 | P | 39.3 | Very low | 44.5 | Very low | 91 Ų | 91 | 72.2 Ų | 72.2 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 149.6 | 161.5 | -23.1 | 34.5 | 0 | 0 | 0 | 110.7 | G877 | P875-G877 PolarHBondContact O-N 3.13Š|
| 876 | Y | 37.8 | Very low | 44.8 | Very low | 216 Ų | 216 | 74 Ų | 74 | 85% | 0.847 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 130.5 | -178.2 | -77 | -92.2 | 0 | 0 | 0 | 112.5 | ||
| 877 | G | 47.1 | Very low | 45.6 | Very low | 85 Ų | 85 | 74.2 Ų | 74.2 | 88% | 0.876 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107 | -2.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | P875 | P875-G877 PolarHBondContact O-N 3.13Š|
| 878 | I | 44.9 | Very low | 46.4 | Very low | 58 Ų | 58 | 73.9 Ų | 73.9 | 30% | 0.297 | 41% | 0.411 | S | S | . | . | trans | -92 | 133.2 | -178 | -43.7 | -179.7 | 0 | 0 | 0 | 111.7 | A874 L882 | A874-I878 HydrophobicContact CB-CB 4.39Å; A874-I878 HydrophobicContact CB-CD1 4.48Å; I878-L882 HydrophobicContact CB-CD1 4.16Å; I878-L882 HydrophobicContact CG2-CD1 3.58Å; I878-L882 HydrophobicContact CG2-CG 3.99Å | ||
| 879 | S | 49.7 | Very low | 47 | Very low | 55 Ų | 55 | 77.1 Ų | 77.1 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | trans | -80.5 | 168.8 | -170.1 | 71.9 | 0 | 0 | 0 | 0 | 115.8 | R881 L882 | S879-R881 PolarHBondContact O-N 2.89Å; S879-R881 WeakPolarHBondContact OG-CG 3.41Å; S879-L882 PolarHBondContact O-N 3.28Å | ||
| 880 | S | 50.4 | Low | 48.1 | Very low | 66 Ų | 66 | 74.4 Ų | 74.4 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -50.7 | -15.8 | 174.2 | 53.4 | 0 | 0 | 0 | 0 | 116.4 | L882 C883 | S880-L882 PolarHBondContact O-N 3.41Å; S880-C883 WeakPolarHBondContact O-CB 3.32Å; S880-C883 PolarHBondContact O-N 3.32Å; S880-C883 PolarHBondContact O-SG 2.84Å |
| 881 | R | 52.2 | Low | 49.3 | Very low | 216 Ų | 216 | 74.6 Ų | 74.6 | 82% | 0.815 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -58.2 | -10.4 | 175.1 | -59 | 178.3 | -169.5 | -176.1 | 3.5 | 114.4 | S879 | S879-R881 PolarHBondContact O-N 2.89Å; S879-R881 WeakPolarHBondContact OG-CG 3.41Å |
| 882 | L | 50.6 | Low | 50.2 | Low | 35 Ų | 35 | 79.8 Ų | 79.8 | 18% | 0.183 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -79.5 | -10.3 | 173.6 | -70.5 | 179.2 | 0 | 0 | 0 | 114.7 | Q777 T778 A874 I878 S879 S880 | Q777-L882 VanDerWaalsContact O-CD2 3.31Å; Q777-L882 WeakPolarHBondContact O-CD2 3.42Å; T778-L882 HydrophobicContact CG2-CD2 3.77Å; A874-L882 HydrophobicContact CB-CD1 4.34Å; I878-L882 HydrophobicContact CB-CD1 4.16Å; I878-L882 HydrophobicContact CG2-CD1 3.58Å; I878-L882 HydrophobicContact CG2-CG 3.99Å; S879-L882 PolarHBondContact O-N 3.28Å; S880-L882 PolarHBondContact O-N 3.41Å |
| 883 | C | 52.7 | Low | 50.9 | Low | 24 Ų | 24 | 86.6 Ų | 86.6 | 16% | 0.162 | 45% | 0.454 | C | S | . | . | trans | -82.8 | 142.9 | -170.6 | -64.1 | 0 | 0 | 0 | 0 | 114.4 | S880 K887 C896 | S880-C883 WeakPolarHBondContact O-CB 3.32Å; S880-C883 PolarHBondContact O-N 3.32Å; S880-C883 PolarHBondContact O-SG 2.84Å; C883-K887 WeakPolarHBondContact CB-O 3.43Å; C883-C896 WeakPolarHBondContact CA-SG 3.48Å; C883-C896 HydrophobicContact CB-CB 3.73Å; C883-C896 WeakPolarHBondContact CB-SG 3.36Å; C883-C896 VanDerWaalsContact SG-CA 3.54Å; C883-C896 WeakPolarHBondContact SG-CB 3.08Å; C883-C896 CovalentContact SG-SG 2.05Å; C883-C896 PolarHBondContact SG-SG 2.63Å | ||
| 884 | S | 51.8 | Low | 51.5 | Low | 30 Ų | 30 | 87.6 Ų | 87.6 | 21% | 0.21 | 46% | 0.457 | C | S | . | . | trans | -63 | 149.8 | 167.5 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | Q781 D886 K887 | Q781-S884 VanDerWaalsContact CD-OG 3.24Å; Q781-S884 WeakPolarHBondContact CG-OG 3.45Å; Q781-S884 PolarHBondContact NE2-OG 3.14Å; S884-D886 PolarHBondContact O-N 3.32Å; S884-D886 VanDerWaalsContact O-N 3.14Å; S884-D886 PolarHBondContact OG-N 3.33Å; S884-D886 PolarHBondContact OG-OD2 3.19Å; S884-K887 CarbonylContact O-C 3.6Å; S884-K887 PolarHBondContact O-N 3.01Å | ||
| 885 | S | 54.8 | Low | 52.1 | Low | 83 Ų | 83 | 89.1 Ų | 89.1 | 58% | 0.58 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.4 | 169 | 35.5 | 0 | 0 | 0 | 0 | 112.8 | Q781 K887 | Q781-S885 VanDerWaalsContact NE2-N 3.14Å; Q781-S885 PolarHBondContact NE2-OG 3.23Å; Q781-S885 PolarHBondContact OE1-OG 2.92Å; S885-K887 VanDerWaalsContact C-N 3.27Å; S885-K887 PolarHBondContact O-N 3.13Å |
| 886 | D | 48.2 | Very low | 52.8 | Low | 102 Ų | 102 | 85.7 Ų | 85.7 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20.4 | 176.2 | -39.7 | -61.1 | 0 | 0 | 0 | 113.5 | S884 K898 | S884-D886 PolarHBondContact O-N 3.32Å; S884-D886 VanDerWaalsContact O-N 3.14Å; S884-D886 PolarHBondContact OG-N 3.33Å; S884-D886 PolarHBondContact OG-OD2 3.19Å; D886-K898 WeakPolarHBondContact O-CE 3.34Å; D886-K898 WeakPolarHBondContact O-CG 3.39Å |
| 887 | K | 55.2 | Low | 53.4 | Low | 86 Ų | 86 | 77 Ų | 77 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -146.2 | 59.5 | -172.8 | -66.3 | -173.6 | -178.2 | 178.4 | 0 | 110.8 | C883 S884 S885 Y889 C896 C897 K898 | C883-K887 WeakPolarHBondContact CB-O 3.43Å; S884-K887 CarbonylContact O-C 3.6Å; S884-K887 PolarHBondContact O-N 3.01Å; S885-K887 VanDerWaalsContact C-N 3.27Å; S885-K887 PolarHBondContact O-N 3.13Å; K887-Y889 VanDerWaalsContact C-N 3.29Å; K887-Y889 PolarHBondContact O-N 3.47Å; K887-C896 HydrophobicContact CB-CB 4.5Å; K887-C897 CarbonylContact C-O 3.59Å; K887-C897 VanDerWaalsContact CA-O 3.29Å; K887-C897 WeakPolarHBondContact CA-O 3.33Å; K887-K898 HydrophobicContact CG-CG 4.32Å |
| 888 | P | 55.6 | Low | 53.8 | Low | 84 Ų | 84 | 80.5 Ų | 80.5 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | trans | -77.8 | -8.7 | -164 | 32.8 | -37.5 | 0 | 0 | 0 | 114.4 | ||||
| 889 | Y | 55.2 | Low | 54.1 | Low | 114 Ų | 114 | 84.3 Ų | 84.3 | 45% | 0.447 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 142.7 | -178.5 | -168.4 | -120.1 | 0 | 0 | 0 | 110.9 | K887 C896 C897 K899 | K887-Y889 VanDerWaalsContact C-N 3.29Å; K887-Y889 PolarHBondContact O-N 3.47Å; Y889-C896 CarbonylContact O-C 3.52Å; Y889-C896 WeakPolarHBondContact O-CA 3.33Å; Y889-C897 PolarHBondContact N-O 3.16Å; Y889-C897 VanDerWaalsContact N-O 3.12Å; Y889-C897 PolarHBondContact O-N 3.08Å; Y889-C897 PolarHBondContact O-SG 2.87Å; Y889-K899 HydrophobicContact CD1-CB 4.37Å; Y889-K899 HydrophobicContact CD1-CG 3.92Å; Y889-K899 HydrophobicContact CD2-CD 4.07Å; Y889-K899 HydrophobicContact CD2-CG 4.16Å; Y889-K899 HydrophobicContact CE1-CG 4.3Å; Y889-K899 HydrophobicContact CE2-CD 4.29Å; Y889-K899 HydrophobicContact CG-CB 4.09Å; Y889-K899 HydrophobicContact CG-CD 4.26Å; Y889-K899 HydrophobicContact CG-CG 3.85Å |
| 890 | W | 61.9 | Low | 53.8 | Low | 56 Ų | 56 | 85.8 Ų | 85.8 | 21% | 0.212 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 113.3 | 179.9 | 179.4 | -86.2 | 0 | 0 | 0 | 109.1 | A874 Q894 K895 | A874-W890 HydrophobicContact CB-CH2 4Å; W890-Q894 HydrophobicContact CH2-CB 4.38Å; W890-Q894 WeakPolarHBondContact CH2-O 3.48Å; W890-Q894 HydrophobicContact CZ2-CB 3.73Å; W890-Q894 HydrophobicContact CZ2-CG 4.21Å; W890-K895 WeakPolarHBondContact CA-O 3.19Å |
| 891 | D | 65.1 | Low | 53.3 | Low | 30 Ų | 30 | 91.3 Ų | 91.3 | 16% | 0.16 | 44% | 0.444 | C | S | . | . | trans | -75.1 | 160.5 | -179.1 | 81.3 | 0.4 | 0 | 0 | 0 | 112.6 | R893 Q894 K895 | D891-R893 PolarHBondContact O-N 2.99Å; D891-R893 WeakPolarHBondContact OD1-CA 3.43Å; D891-R893 WeakPolarHBondContact OD1-CB 3.31Å; D891-R893 PolarHBondContact OD1-N 2.89Å; D891-Q894 PolarHBondContact O-N 3Å; D891-Q894 PolarHBondContact OD1-N 3.09Å; D891-K895 PolarHBondContact N-O 2.84Å; D891-K895 WeakPolarHBondContact OD1-CB 3.46Å; D891-K895 PolarHBondContact OD1-N 2.91Å | ||
| 892 | N | 59.4 | Low | 52.5 | Low | 161 Ų | 161 | 88.2 Ų | 88.2 | 86% | 0.861 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 10.7 | 172.2 | 55 | 6.5 | 0 | 0 | 0 | 113.6 | ||
| 893 | R | 55.3 | Low | 51.9 | Low | 181 Ų | 181 | 94.2 Ų | 94.2 | 68% | 0.683 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 16.6 | 171.2 | -52.5 | 173.6 | 173.6 | 175.8 | -4.6 | 111.5 | D891 K895 | D891-R893 PolarHBondContact O-N 2.99Å; D891-R893 WeakPolarHBondContact OD1-CA 3.43Å; D891-R893 WeakPolarHBondContact OD1-CB 3.31Å; D891-R893 PolarHBondContact OD1-N 2.89Å; R893-K895 HydrophobicContact CB-CD 4.44Å |
| 894 | Q | 53.7 | Low | 50.9 | Low | 56 Ų | 56 | 97.8 Ų | 97.8 | 26% | 0.262 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 68.1 | 36 | 177 | -59.3 | 176.8 | -20.9 | 0 | 0 | 115.4 | W890 D891 | W890-Q894 HydrophobicContact CH2-CB 4.38Å; W890-Q894 WeakPolarHBondContact CH2-O 3.48Å; W890-Q894 HydrophobicContact CZ2-CB 3.73Å; W890-Q894 HydrophobicContact CZ2-CG 4.21Å; D891-Q894 PolarHBondContact O-N 3Å; D891-Q894 PolarHBondContact OD1-N 3.09Å |
| 895 | K | 53.7 | Low | 50 | Low | 42 Ų | 42 | 103.8 Ų | 103.8 | 18% | 0.183 | 53% | 0.531 | C | S | . | . | trans | -124.8 | 136.7 | -174.1 | -53.4 | 171.2 | -167.9 | 171.4 | 0 | 113.3 | I869 W890 D891 R893 C897 | I869-K895 HydrophobicContact CG2-CD 4.3Å; W890-K895 WeakPolarHBondContact CA-O 3.19Å; D891-K895 PolarHBondContact N-O 2.84Å; D891-K895 WeakPolarHBondContact OD1-CB 3.46Å; D891-K895 PolarHBondContact OD1-N 2.91Å; R893-K895 HydrophobicContact CB-CD 4.44Å; K895-C897 PolarHBondContact O-N 3.46Å | ||
| 896 | C | 53.8 | Low | 48.9 | Very low | 20 Ų | 20 | 108.2 Ų | 108.2 | 14% | 0.135 | 54% | 0.542 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 117.6 | 164.5 | -63 | 0 | 0 | 0 | 0 | 111 | C883 K887 Y889 | C883-C896 WeakPolarHBondContact CA-SG 3.48Å; C883-C896 HydrophobicContact CB-CB 3.73Å; C883-C896 WeakPolarHBondContact CB-SG 3.36Å; C883-C896 VanDerWaalsContact SG-CA 3.54Å; C883-C896 WeakPolarHBondContact SG-CB 3.08Å; C883-C896 CovalentContact SG-SG 2.05Å; C883-C896 PolarHBondContact SG-SG 2.63Å; K887-C896 HydrophobicContact CB-CB 4.5Å; Y889-C896 CarbonylContact O-C 3.52Å; Y889-C896 WeakPolarHBondContact O-CA 3.33Å |
| 897 | C | 51 | Low | 48.2 | Very low | 32 Ų | 32 | 108.7 Ų | 108.7 | 22% | 0.216 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 161 | -175.1 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | K887 Y889 K895 | K887-C897 CarbonylContact C-O 3.59Å; K887-C897 VanDerWaalsContact CA-O 3.29Å; K887-C897 WeakPolarHBondContact CA-O 3.33Å; Y889-C897 PolarHBondContact N-O 3.16Å; Y889-C897 VanDerWaalsContact N-O 3.12Å; Y889-C897 PolarHBondContact O-N 3.08Å; Y889-C897 PolarHBondContact O-SG 2.87Å; K895-C897 PolarHBondContact O-N 3.46Å |
| 898 | K | 55.8 | Low | 47 | Very low | 160 Ų | 160 | 112 Ų | 112 | 70% | 0.696 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 131.4 | 160 | -88.3 | -166.4 | 167.7 | -172.1 | 0 | 107 | D886 K887 | D886-K898 WeakPolarHBondContact O-CE 3.34Å; D886-K898 WeakPolarHBondContact O-CG 3.39Å; K887-K898 HydrophobicContact CG-CG 4.32Å |
| 899 | K | 50.9 | Low | 45.8 | Very low | 137 Ų | 137 | 112.3 Ų | 112.3 | 60% | 0.596 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 139.9 | 164.4 | -147.2 | -179.7 | -177 | -163 | 0 | 107.5 | Y889 | Y889-K899 HydrophobicContact CD1-CB 4.37Å; Y889-K899 HydrophobicContact CD1-CG 3.92Å; Y889-K899 HydrophobicContact CD2-CD 4.07Å; Y889-K899 HydrophobicContact CD2-CG 4.16Å; Y889-K899 HydrophobicContact CE1-CG 4.3Å; Y889-K899 HydrophobicContact CE2-CD 4.29Å; Y889-K899 HydrophobicContact CG-CB 4.09Å; Y889-K899 HydrophobicContact CG-CD 4.26Å; Y889-K899 HydrophobicContact CG-CG 3.85Å |
| 900 | S | 43.3 | Very low | 44.5 | Very low | 86 Ų | 86 | 111.6 Ų | 111.6 | 60% | 0.601 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 147.4 | 167.5 | 50 | 0 | 0 | 0 | 0 | 109.3 | ||
| 901 | E | 39.1 | Very low | 43 | Very low | 182 Ų | 182 | 115.9 Ų | 115.9 | 85% | 0.85 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -66 | 152 | 147.5 | -70.5 | 150 | 169.1 | 0 | 0 | 106.9 | ||
| 902 | D | 35.8 | Very low | 41.3 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 81% | 0.807 | 65% | 0.652 | S | S | * | * | trans | 64.2 | 89.2 | -170.1 | -51.7 | -30.9 | 0 | 0 | 0 | 115.5 | ||||
| 903 | D | 37.1 | Very low | 39.5 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | -162.3 | 123.5 | 128.1 | -118.6 | -17.1 | 0 | 0 | 0 | 108.1 | |||||
| 904 | S | 32 | Very low | 38.3 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | trans | -96.9 | 125.4 | 179.6 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 905 | D | 33 | Very low | 37 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 84% | 0.84 | 68% | 0.676 | S | S | * | * | 176.8 | 170.6 | 120.7 | -86 | -10.4 | 0 | 0 | 0 | 112.6 | |||||
| 906 | E | 31 | Very low | 35.8 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -60.1 | 145.5 | -169.5 | -43.3 | 178.9 | 130.6 | 0 | 0 | 113 | ||||
| 907 | T | 33.5 | Very low | 34.5 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | -171.8 | 165.2 | 57.2 | 37.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 908 | N | 31 | Very low | 33.5 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 37.4 | 126.8 | 148.1 | -60 | -25.8 | 0 | 0 | 0 | 120.5 | ||||
| 909 | A | 30.7 | Very low | 32.1 | Very low | 91 Ų | 91 | 146 Ų | 146 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -154.2 | 153.5 | 11.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 910 | S | 26.8 | Very low | 31 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -41.1 | 150.6 | 164.8 | 53.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 911 | I | 30.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | 178.4 | 121 | 117.1 | -94.8 | 159.9 | 0 | 0 | 0 | 113.2 | |||||
| 912 | Y | 29.3 | Very low | 29.7 | Very low | 223 Ų | 223 | 146.2 Ų | 146.2 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | 67.3 | 101.8 | 155.9 | -76.3 | -115.8 | 0 | 0 | 0 | 121.9 | ||||
| 913 | L | 23.1 | Very low | 29.4 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -63.6 | 165.6 | 140.7 | -87.1 | 167.4 | 0 | 0 | 0 | 110.6 | ||||
| 914 | P | 29.5 | Very low | 29.1 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | -145.8 | 175 | 50.2 | 41.2 | -20 | 0 | 0 | 0 | 119.3 | |||||
| 915 | S | 25.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -75 | 158.3 | -177.3 | 44.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 916 | R | 29.8 | Very low | 29.2 | Very low | 251 Ų | 251 | 145.5 Ų | 145.5 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | trans | -147.9 | 142 | 140.6 | -111.6 | 176.2 | -174.4 | -172.3 | 0.5 | 110.4 | ||||
| 917 | T | 26.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -92.4 | 145.9 | -170.8 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 918 | V | 29.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | trans | -135.2 | 141.6 | 157.6 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 919 | E | 27.8 | Very low | 29.4 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 147 | -162 | -59.1 | 164.2 | 139.1 | 0 | 0 | 113.4 | ||||
| 920 | V | 26.7 | Very low | 29.3 | Very low | 126 Ų | 126 | 142 Ų | 142 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -111.4 | 123.1 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 108.3 | E922 | V920-E922 PolarHBondContact O-N 3.23Å; V920-E922 VanDerWaalsContact O-N 3.11Å | ||
| 921 | P | 28 | Very low | 29.5 | Very low | 115 Ų | 115 | 144.1 Ų | 144.1 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -73.7 | 100.7 | -178.3 | -20.8 | 34.1 | 0 | 0 | 0 | 113.8 | R923 | P921-R923 PolarHBondContact O-N 3.19Å; P921-R923 VanDerWaalsContact O-N 3.09Å | ||
| 922 | E | 27.9 | Very low | 29.5 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 98.4 | 170 | -69.2 | 177.3 | 127.8 | 0 | 0 | 111.1 | V920 | V920-E922 PolarHBondContact O-N 3.23Å; V920-E922 VanDerWaalsContact O-N 3.11Å | ||
| 923 | R | 29.7 | Very low | 29.6 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -145.6 | 66.3 | 178.4 | -73.8 | -164.7 | 172.3 | -173.5 | 2.2 | 114.7 | P921 | P921-R923 PolarHBondContact O-N 3.19Å; P921-R923 VanDerWaalsContact O-N 3.09Å | ||
| 924 | S | 29.5 | Very low | 30 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -155.7 | -33.4 | 159.3 | 51 | 0 | 0 | 0 | 0 | 115.2 | ||
| 925 | A | 31.9 | Very low | 30 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -89.4 | -41.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 926 | E | 35.3 | Very low | 30.1 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -90.6 | -4.8 | -165.8 | -60.3 | -162.2 | 129.9 | 0 | 0 | 115.8 | I928 A929 | E926-I928 PolarHBondContact O-N 3.23Å; E926-A929 PolarHBondContact O-N 2.9Å |
| 927 | K | 34.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 14.1 | -164.3 | -110.7 | -169.6 | 176.2 | -164.6 | 0 | 116.7 | ||
| 928 | I | 32.9 | Very low | 30.4 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -11.6 | 179 | -66.4 | 177.6 | 0 | 0 | 0 | 112 | E926 | E926-I928 PolarHBondContact O-N 3.23Š|
| 929 | A | 32.1 | Very low | 30.7 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -8.5 | -169 | 0 | 0 | 0 | 0 | 0 | 117.1 | E926 | E926-A929 PolarHBondContact O-N 2.9Š|
| 930 | A | 30.4 | Very low | 31 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 57% | 0.57 | 77% | 0.768 | S | S | * | * | trans | -142.8 | 155.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 931 | N | 30 | Very low | 31.3 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 68.8 | 78.2 | 162.8 | -61.9 | -26.4 | 0 | 0 | 0 | 118.7 | ||||
| 932 | K | 31.6 | Very low | 32 | Very low | 201 Ų | 201 | 133.1 Ų | 133.1 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | -143.7 | 96.8 | 110.2 | -120 | -175.8 | -176.1 | -173.8 | 0 | 112.8 | I934 | K932-I934 PolarHBondContact O-N 3.31Š| |||
| 933 | T | 29.9 | Very low | 33 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | trans | -69 | 117.4 | 176.4 | -32.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 934 | I | 31.1 | Very low | 33.5 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -139.1 | 128.7 | 165.4 | -61.1 | -177.4 | 0 | 0 | 0 | 108.6 | K932 | K932-I934 PolarHBondContact O-N 3.31Š| ||
| 935 | G | 31.1 | Very low | 33.9 | Very low | 62 Ų | 62 | 123.8 Ų | 123.8 | 64% | 0.639 | 71% | 0.706 | S | S | * | * | trans | 54.6 | 81.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 936 | I | 27.3 | Very low | 34.2 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | 33.3 | 96.4 | 127 | -50.9 | 162.1 | 0 | 0 | 0 | 115.7 | |||||
| 937 | N | 31 | Very low | 34.6 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | -160.7 | 118.1 | 128.7 | -124.7 | -26.4 | 0 | 0 | 0 | 111.7 | N939 | N937-N939 PolarHBondContact O-N 3.02Š| |||
| 938 | E | 30.8 | Very low | 35.1 | Very low | 183 Ų | 183 | 117.9 Ų | 117.9 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 99.6 | 179.4 | -62.8 | -177.6 | 140.8 | 0 | 0 | 110 | ||
| 939 | N | 35.3 | Very low | 36 | Very low | 170 Ų | 170 | 120.4 Ų | 120.4 | 91% | 0.909 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.6 | 1.5 | 151.1 | -100.4 | -49.9 | 0 | 0 | 0 | 115.7 | N937 | N937-N939 PolarHBondContact O-N 3.02Š|
| 940 | A | 35 | Very low | 37.5 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 72% | 0.719 | 67% | 0.666 | S | S | * | * | trans | -123 | 75.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T942 | A940-T942 PolarHBondContact O-N 3.45Š| ||
| 941 | T | 32.5 | Very low | 40 | Very low | 84 Ų | 84 | 119 Ų | 119 | 52% | 0.515 | 65% | 0.646 | S | S | . | * | trans | -69.8 | 115.8 | 163 | 26 | 0 | 0 | 0 | 0 | 109 | R946 | T941-R946 PolarHBondContact OG1-NE 2.93Å; T941-R946 PolarHBondContact OG1-NH2 2.82Å | ||
| 942 | T | 43.5 | Very low | 42.8 | Very low | 73 Ų | 73 | 116.7 Ų | 116.7 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | trans | -67.1 | 154.3 | 178.3 | 66 | 0 | 0 | 0 | 0 | 110.8 | A940 A944 E945 R946 | A940-T942 PolarHBondContact O-N 3.45Å; T942-A944 PolarHBondContact O-N 3.4Å; T942-E945 WeakPolarHBondContact CB-OE2 3.29Å; T942-E945 WeakPolarHBondContact CG2-OE2 3.31Å; T942-E945 PolarHBondContact N-OE2 3.23Å; T942-E945 PolarHBondContact O-N 3.4Å; T942-E945 VanDerWaalsContact OG1-CG 3.3Å; T942-E945 WeakPolarHBondContact OG1-CG 3.25Å; T942-E945 PolarHBondContact OG1-N 2.9Å; T942-E945 PolarHBondContact OG1-OE2 2.98Å; T942-R946 PolarHBondContact O-N 2.82Å | ||
| 943 | Q | 48.8 | Very low | 45.7 | Very low | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58 | -40 | 175.7 | -172.8 | 59.1 | 42.6 | 0 | 0 | 110.9 | E945 R946 D947 | Q943-E945 PolarHBondContact O-N 3.49Å; Q943-R946 WeakPolarHBondContact O-CB 3.41Å; Q943-R946 PolarHBondContact O-N 3.43Å; Q943-R946 VanDerWaalsContact O-N 3.1Å; Q943-D947 PolarHBondContact NE2-OD1 3.25Å; Q943-D947 WeakPolarHBondContact O-CB 3.24Å; Q943-D947 PolarHBondContact O-N 3.46Å |
| 944 | A | 38.7 | Very low | 48.8 | Very low | 68 Ų | 68 | 106.6 Ų | 106.6 | 56% | 0.562 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.8 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T942 D947 A948 | T942-A944 PolarHBondContact O-N 3.4Å; A944-D947 PolarHBondContact O-N 3.05Å; A944-A948 VanDerWaalsContact O-CB 3.28Å; A944-A948 WeakPolarHBondContact O-CB 3.48Å; A944-A948 PolarHBondContact O-N 3.12Å |
| 945 | E | 38.1 | Very low | 51.8 | Low | 106 Ų | 106 | 99.5 Ų | 99.5 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.8 | -33.6 | 175.4 | -70.9 | 163 | 114.9 | 0 | 0 | 112.4 | T942 Q943 K949 | T942-E945 WeakPolarHBondContact CB-OE2 3.29Å; T942-E945 WeakPolarHBondContact CG2-OE2 3.31Å; T942-E945 PolarHBondContact N-OE2 3.23Å; T942-E945 PolarHBondContact O-N 3.4Å; T942-E945 VanDerWaalsContact OG1-CG 3.3Å; T942-E945 WeakPolarHBondContact OG1-CG 3.25Å; T942-E945 PolarHBondContact OG1-N 2.9Å; T942-E945 PolarHBondContact OG1-OE2 2.98Å; Q943-E945 PolarHBondContact O-N 3.49Å; E945-K949 PolarHBondContact O-N 2.96Å; E945-K949 VanDerWaalsContact O-N 3.08Å |
| 946 | R | 38 | Very low | 54.8 | Low | 130 Ų | 130 | 97 Ų | 97 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -42.7 | 173.4 | -63.1 | 177.9 | -177 | -172.8 | 1.4 | 111 | T941 T942 Q943 K949 N950 | T941-R946 PolarHBondContact OG1-NE 2.93Å; T941-R946 PolarHBondContact OG1-NH2 2.82Å; T942-R946 PolarHBondContact O-N 2.82Å; Q943-R946 WeakPolarHBondContact O-CB 3.41Å; Q943-R946 PolarHBondContact O-N 3.43Å; Q943-R946 VanDerWaalsContact O-N 3.1Å; R946-K949 PolarHBondContact O-N 2.9Å; R946-N950 PolarHBondContact O-N 3.05Å; R946-N950 PolarHBondContact O-ND2 3.07Å |
| 947 | D | 43.9 | Very low | 57.9 | Low | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.5 | -62.6 | -21.8 | 0 | 0 | 0 | 111.3 | Q943 A944 N950 Y951 | Q943-D947 PolarHBondContact NE2-OD1 3.25Å; Q943-D947 WeakPolarHBondContact O-CB 3.24Å; Q943-D947 PolarHBondContact O-N 3.46Å; A944-D947 PolarHBondContact O-N 3.05Å; D947-N950 PolarHBondContact O-N 3.28Å; D947-Y951 PolarHBondContact O-N 3.36Å |
| 948 | A | 45.8 | Very low | 60.8 | Low | 71 Ų | 71 | 82.4 Ų | 82.4 | 59% | 0.587 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A944 N950 Y951 | A944-A948 VanDerWaalsContact O-CB 3.28Å; A944-A948 WeakPolarHBondContact O-CB 3.48Å; A944-A948 PolarHBondContact O-N 3.12Å; A948-N950 PolarHBondContact O-N 3.46Å; A948-Y951 PolarHBondContact O-N 3.43Å |
| 949 | K | 50.2 | Low | 63.5 | Low | 186 Ų | 186 | 77.7 Ų | 77.7 | 81% | 0.809 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.3 | -25.3 | 176.3 | -102.2 | -178.4 | 173.9 | 176.3 | 0 | 113.7 | E945 R946 | E945-K949 PolarHBondContact O-N 2.96Å; E945-K949 VanDerWaalsContact O-N 3.08Å; R946-K949 PolarHBondContact O-N 2.9Å |
| 950 | N | 65.6 | Low | 66 | Low | 100 Ų | 100 | 69.6 Ų | 69.6 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 4.5 | -179.5 | -69.8 | -22.9 | 0 | 0 | 0 | 113.9 | R946 D947 A948 T993 | R946-N950 PolarHBondContact O-N 3.05Å; R946-N950 PolarHBondContact O-ND2 3.07Å; D947-N950 PolarHBondContact O-N 3.28Å; A948-N950 PolarHBondContact O-N 3.46Å; N950-T993 WeakPolarHBondContact O-CG2 3.49Å; N950-T993 PolarHBondContact O-OG1 3.46Å |
| 951 | Y | 82 | Confident | 68 | Low | 38 Ų | 38 | 67.1 Ų | 67.1 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -70.6 | -44.3 | -175.5 | -168.9 | -109.7 | 0 | 0 | 0 | 112.7 | D947 A948 V992 T993 Q994 G996 L1002 | D947-Y951 PolarHBondContact O-N 3.36Å; A948-Y951 PolarHBondContact O-N 3.43Å; Y951-V992 HydrophobicContact CD1-CG1 4.01Å; Y951-V992 HydrophobicContact CD1-CG2 4.42Å; Y951-V992 HydrophobicContact CD2-CG1 3.89Å; Y951-V992 HydrophobicContact CE1-CG1 3.64Å; Y951-V992 HydrophobicContact CE1-CG2 3.97Å; Y951-V992 HydrophobicContact CE2-CG1 3.5Å; Y951-V992 VanDerWaalsContact CE2-CG1 3.5Å; Y951-V992 HydrophobicContact CG-CG1 4.14Å; Y951-V992 CarbonylContact O-C 3.58Å; Y951-V992 VanDerWaalsContact O-CA 3.26Å; Y951-V992 WeakPolarHBondContact O-CA 3.46Å; Y951-V992 WeakPolarHBondContact O-CG1 3.34Å; Y951-T993 PolarHBondContact O-N 3.36Å; Y951-T993 PolarHBondContact O-OG1 3.47Å; Y951-Q994 HydrophobicContact CD2-CG 4.37Å; Y951-Q994 HydrophobicContact CE2-CG 4.46Å; Y951-Q994 WeakPolarHBondContact CE2-O 3.14Å; Y951-G996 WeakPolarHBondContact OH-CA 3.37Å; Y951-G996 PolarHBondContact OH-N 3.44Å; Y951-L1002 WeakPolarHBondContact OH-CD1 3.24Å |
| 952 | F | 88.5 | Confident | 70.2 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.8 | 173.4 | -70.8 | -74.7 | 0 | 0 | 0 | 111.2 | I991 V992 W1092 | F952-I991 WeakPolarHBondContact CA-O 3.49Å; F952-V992 HydrophobicContact CD1-CG2 3.76Å; F952-V992 HydrophobicContact CE1-CG2 3.45Å; F952-V992 VanDerWaalsContact CE1-CG2 3.45Å; F952-V992 HydrophobicContact CZ-CG2 4.23Å; F952-W1092 HydrophobicContact CD1-CD2 4.39Å; F952-W1092 HydrophobicContact CD1-CE3 4.35Å; F952-W1092 AromaticContact CE1-CD2 3.52Å; F952-W1092 HydrophobicContact CE1-CD2 3.52Å; F952-W1092 AromaticContact CE1-CE2 3.79Å; F952-W1092 AromaticContact CE1-CE3 3.73Å; F952-W1092 HydrophobicContact CE1-CE3 3.73Å; F952-W1092 AromaticContact CE1-CG 3.89Å; F952-W1092 HydrophobicContact CE1-CG 3.89Å; F952-W1092 HydrophobicContact CE1-CH2 4.47Å; F952-W1092 HydrophobicContact CE1-CZ2 4.26Å; F952-W1092 HydrophobicContact CE1-CZ3 4.22Å; F952-W1092 HydrophobicContact CZ-CD2 4.26Å; F952-W1092 HydrophobicContact CZ-CG 4.46Å |
| 953 | V | 92.3 | Very high | 71.8 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.1 | 174 | -73.2 | 0 | 0 | 0 | 0 | 110.9 | T970 K990 I991 T993 | V953-T970 HydrophobicContact CB-CG2 4.42Å; V953-T970 HydrophobicContact CG2-CG2 3.57Å; V953-K990 CarbonylContact O-C 3.51Å; V953-K990 VanDerWaalsContact O-CA 3.31Å; V953-K990 WeakPolarHBondContact O-CA 3.44Å; V953-I991 HydrophobicContact CG2-CG1 4.12Å; V953-I991 PolarHBondContact N-O 2.83Å; V953-I991 PolarHBondContact O-N 3.49Å; V953-T993 HydrophobicContact CB-CG2 4.14Å; V953-T993 HydrophobicContact CG1-CG2 3.43Å; V953-T993 VanDerWaalsContact CG1-CG2 3.43Å; V953-T993 HydrophobicContact CG2-CG2 3.61Å |
| 954 | E | 94.5 | Very high | 73.1 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 39% | 0.393 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131.6 | 176.7 | -66.4 | 180 | 169.2 | 0 | 0 | 110.7 | T970 I987 K990 | E954-T970 WeakPolarHBondContact O-CA 3.46Å; E954-I987 HydrophobicContact CB-CG1 4.46Å; E954-I987 HydrophobicContact CB-CG2 3.99Å; E954-I987 HydrophobicContact CG-CD1 4.49Å; E954-I987 HydrophobicContact CG-CG2 4.19Å; E954-I987 WeakPolarHBondContact OE2-CD1 3.13Å; E954-K990 HydrophobicContact CG-CG 4.26Å |
| 955 | L | 95.5 | Very high | 75.2 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.5 | 170 | -173.5 | 56.3 | 0 | 0 | 0 | 108.6 | L968 T970 I988 G989 I991 I1035 F1089 M1091 | L955-L968 HydrophobicContact CD1-CB 4.02Å; L955-L968 HydrophobicContact CD2-CD1 4.39Å; L955-T970 HydrophobicContact CD1-CG2 4.46Å; L955-I988 HydrophobicContact CB-CG1 4.09Å; L955-I988 HydrophobicContact CD2-CD1 3.92Å; L955-I988 HydrophobicContact CD2-CG1 4.1Å; L955-I988 HydrophobicContact CG-CD1 4.06Å; L955-I988 HydrophobicContact CG-CG1 3.84Å; L955-I988 VanDerWaalsContact O-CG1 3.3Å; L955-I988 WeakPolarHBondContact O-CG1 3.37Å; L955-I988 PolarHBondContact O-N 2.93Å; L955-G989 PolarHBondContact N-O 3.36Å; L955-I991 HydrophobicContact CB-CG1 4.4Å; L955-I991 HydrophobicContact CB-CG2 4.34Å; L955-I991 HydrophobicContact CD1-CD1 4.07Å; L955-I991 HydrophobicContact CD2-CG2 4.02Å; L955-I1035 HydrophobicContact CD1-CD1 3.76Å; L955-F1089 HydrophobicContact CD2-CE2 4.22Å; L955-F1089 HydrophobicContact CD2-CZ 4.08Å; L955-M1091 HydrophobicContact CB-SD 4.43Å; L955-M1091 HydrophobicContact CD2-CE 4.15Å; L955-M1091 HydrophobicContact CD2-SD 3.92Å |
| 956 | L | 94 | Very high | 77.5 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135.3 | -179.3 | -60.2 | 172.9 | 0 | 0 | 0 | 110.3 | F958 L968 S969 G986 I987 | L956-F958 HydrophobicContact CB-CD2 4.36Å; L956-F958 HydrophobicContact CB-CE2 3.46Å; L956-F958 VanDerWaalsContact CB-CE2 3.46Å; L956-F958 HydrophobicContact CB-CZ 3.94Å; L956-F958 HydrophobicContact CD1-CE2 4.31Å; L956-F958 HydrophobicContact CD1-CZ 4.08Å; L956-L968 WeakPolarHBondContact O-CA 3.2Å; L956-S969 WeakPolarHBondContact CA-O 3.39Å; L956-S969 WeakPolarHBondContact CB-O 3.48Å; L956-S969 PolarHBondContact N-O 3.42Å; L956-S969 PolarHBondContact O-N 3.01Å; L956-G986 WeakPolarHBondContact CA-O 3.47Å; L956-I987 HydrophobicContact CD2-CB 4.25Å; L956-I987 HydrophobicContact CD2-CG1 3.5Å; L956-I987 VanDerWaalsContact CD2-CG1 3.5Å |
| 957 | R | 92.9 | Very high | 80.1 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.4 | 172 | 174.3 | 176.2 | 150.8 | -135.7 | -9.3 | 110.4 | N966 L968 V985 G986 I988 D1069 | R957-N966 PolarHBondContact NE-OD1 2.96Å; R957-L968 HydrophobicContact CB-CD2 3.75Å; R957-L968 HydrophobicContact CG-CD2 3.96Å; R957-V985 HydrophobicContact CB-CB 4.43Å; R957-V985 HydrophobicContact CG-CB 4.15Å; R957-V985 HydrophobicContact CG-CG2 4.22Å; R957-V985 WeakPolarHBondContact O-CB 3.31Å; R957-V985 PolarHBondContact O-N 2.67Å; R957-G986 PolarHBondContact N-O 2.83Å; R957-G986 PolarHBondContact O-N 2.85Å; R957-I988 HydrophobicContact CB-CD1 4.49Å; R957-I988 HydrophobicContact CB-CG2 3.4Å; R957-I988 HydrophobicContact CG-CG2 4.39Å; R957-D1069 IonicContact CZ-OD2 2.85Å; R957-D1069 VanDerWaalsContact CZ-OD2 3.22Å; R957-D1069 IonicContact NH1-OD2 2.74Å; R957-D1069 PolarHBondContact NH1-OD2 3.17Å; R957-D1069 IonicContact NH2-OD2 3.92Å; R957-D1069 PolarHBondContact NH2-OD2 2.84Å |
| 958 | F | 92 | Very high | 82.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.8 | 175.6 | -60.7 | -97.9 | 0 | 0 | 0 | 110.1 | L956 N966 L967 D972 I973 I983 K984 | L956-F958 HydrophobicContact CB-CD2 4.36Å; L956-F958 HydrophobicContact CB-CE2 3.46Å; L956-F958 VanDerWaalsContact CB-CE2 3.46Å; L956-F958 HydrophobicContact CB-CZ 3.94Å; L956-F958 HydrophobicContact CD1-CE2 4.31Å; L956-F958 HydrophobicContact CD1-CZ 4.08Å; F958-N966 WeakPolarHBondContact O-CA 3.5Å; F958-L967 HydrophobicContact CB-CB 4.37Å; F958-L967 PolarHBondContact N-O 3.03Å; F958-L967 PolarHBondContact O-N 3.26Å; F958-D972 WeakPolarHBondContact CE1-OD1 3.49Å; F958-I973 HydrophobicContact CB-CD1 4.2Å; F958-I973 HydrophobicContact CB-CG1 4.33Å; F958-I973 HydrophobicContact CD1-CG1 3.76Å; F958-I973 HydrophobicContact CD2-CD1 3.78Å; F958-I973 HydrophobicContact CD2-CG1 3.57Å; F958-I973 HydrophobicContact CE1-CG1 3.93Å; F958-I973 HydrophobicContact CE2-CD1 4.32Å; F958-I973 HydrophobicContact CE2-CG1 3.74Å; F958-I973 HydrophobicContact CG-CD1 3.92Å; F958-I973 HydrophobicContact CG-CG1 3.61Å; F958-I973 HydrophobicContact CZ-CG1 3.95Å; F958-I983 CarbonylContact C-O 3.57Å; F958-I983 VanDerWaalsContact CA-O 3.24Å; F958-I983 WeakPolarHBondContact CA-O 3.44Å; F958-K984 HydrophobicContact CD1-CB 3.87Å; F958-K984 HydrophobicContact CD1-CG 4.23Å; F958-K984 HydrophobicContact CE1-CB 3.61Å; F958-K984 HydrophobicContact CE1-CD 4.16Å; F958-K984 HydrophobicContact CE1-CG 3.66Å; F958-K984 HydrophobicContact CZ-CB 4.48Å; F958-K984 HydrophobicContact CZ-CD 4.38Å; F958-K984 HydrophobicContact CZ-CG 4.05Å |
| 959 | W | 87.1 | Confident | 84.7 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 31% | 0.314 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.7 | 167.2 | 177.9 | -106 | 0 | 0 | 0 | 109 | A961 K964 N966 K982 I983 V985 | W959-A961 PolarHBondContact O-N 3.47Å; W959-K964 HydrophobicContact CH2-CB 4.19Å; W959-K964 WeakPolarHBondContact CH2-O 3.44Å; W959-K964 HydrophobicContact CZ2-CB 4.05Å; W959-K964 HydrophobicContact CZ2-CG 4.47Å; W959-N966 WeakPolarHBondContact CZ3-ND2 3.37Å; W959-K982 CarbonylContact O-C 3.52Å; W959-K982 WeakPolarHBondContact O-CA 3.48Å; W959-I983 PolarHBondContact N-O 2.86Å; W959-I983 PolarHBondContact O-N 2.96Å; W959-V985 HydrophobicContact CB-CG2 4.06Å |
| 960 | D | 86.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 103.4 | 170.8 | -175.6 | -21.4 | 0 | 0 | 0 | 107.3 | E962 E963 K964 R965 L967 K982 | D960-E962 VanDerWaalsContact C-N 3.28Å; D960-E962 PolarHBondContact O-N 3.47Å; D960-E962 PolarHBondContact OD1-N 2.88Å; D960-E963 PolarHBondContact OD1-N 3.31Å; D960-E963 VanDerWaalsContact OD1-N 3.16Å; D960-K964 WeakPolarHBondContact O-CA 3.44Å; D960-K964 PolarHBondContact O-N 2.93Å; D960-R965 HydrophobicContact CB-CG 3.65Å; D960-R965 PolarHBondContact N-O 3.01Å; D960-R965 PolarHBondContact O-N 2.76Å; D960-R965 IonicContact OD2-CZ 2.69Å; D960-R965 VanDerWaalsContact OD2-CZ 3.28Å; D960-R965 IonicContact OD2-NE 2.84Å; D960-R965 PolarHBondContact OD2-NE 3.47Å; D960-R965 IonicContact OD2-NH2 3.82Å; D960-R965 PolarHBondContact OD2-NH2 2.84Å; D960-L967 HydrophobicContact CB-CD1 4.05Å; D960-K982 HydrophobicContact CB-CG 4.39Å |
| 961 | A | 78.3 | Confident | 87.8 | Confident | 35 Ų | 35 | 46 Ų | 46 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | W959 Q981 | W959-A961 PolarHBondContact O-N 3.47Å; A961-Q981 PolarHBondContact N-O 3.29Å |
| 962 | E | 77.8 | Confident | 88.1 | Confident | 129 Ų | 129 | 47.1 Ų | 47.1 | 60% | 0.603 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -50.9 | -178.9 | -168.5 | 171.9 | 162.2 | 0 | 0 | 110.2 | D960 K964 T980 | D960-E962 VanDerWaalsContact C-N 3.28Å; D960-E962 PolarHBondContact O-N 3.47Å; D960-E962 PolarHBondContact OD1-N 2.88Å; E962-K964 VanDerWaalsContact C-N 3.35Å; E962-T980 WeakPolarHBondContact OE2-CG2 3.43Å |
| 963 | E | 77.7 | Confident | 88 | Confident | 92 Ų | 92 | 43.6 Ų | 43.6 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.3 | 179 | -62.3 | -120.6 | -117.9 | 0 | 0 | 113.6 | D960 R965 | D960-E963 PolarHBondContact OD1-N 3.31Å; D960-E963 VanDerWaalsContact OD1-N 3.16Å; E963-R965 HydrophobicContact CB-CG 3.99Å; E963-R965 PolarHBondContact O-N 3.45Å; E963-R965 IonicContact OE1-CZ 3.28Å; E963-R965 IonicContact OE1-NH1 3.63Å; E963-R965 IonicContact OE1-NH2 3.54Å; E963-R965 PolarHBondContact OE1-NH2 2.86Å |
| 964 | K | 77 | Confident | 87.5 | Confident | 146 Ų | 146 | 43.8 Ų | 43.8 | 64% | 0.635 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 45.9 | 173.9 | -62.4 | 174.3 | -176.9 | 170.3 | 0 | 114.1 | W959 D960 E962 | W959-K964 HydrophobicContact CH2-CB 4.19Å; W959-K964 WeakPolarHBondContact CH2-O 3.44Å; W959-K964 HydrophobicContact CZ2-CB 4.05Å; W959-K964 HydrophobicContact CZ2-CG 4.47Å; D960-K964 WeakPolarHBondContact O-CA 3.44Å; D960-K964 PolarHBondContact O-N 2.93Å; E962-K964 VanDerWaalsContact C-N 3.35Å |
| 965 | R | 82.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 49 Ų | 49 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.3 | -173.1 | 59.2 | 174.3 | 175.3 | -162.4 | -25.5 | 112.4 | D960 E963 L967 G1014 D1016 | D960-R965 HydrophobicContact CB-CG 3.65Å; D960-R965 PolarHBondContact N-O 3.01Å; D960-R965 PolarHBondContact O-N 2.76Å; D960-R965 IonicContact OD2-CZ 2.69Å; D960-R965 VanDerWaalsContact OD2-CZ 3.28Å; D960-R965 IonicContact OD2-NE 2.84Å; D960-R965 PolarHBondContact OD2-NE 3.47Å; D960-R965 IonicContact OD2-NH2 3.82Å; D960-R965 PolarHBondContact OD2-NH2 2.84Å; E963-R965 HydrophobicContact CB-CG 3.99Å; E963-R965 PolarHBondContact O-N 3.45Å; E963-R965 IonicContact OE1-CZ 3.28Å; E963-R965 IonicContact OE1-NH1 3.63Å; E963-R965 IonicContact OE1-NH2 3.54Å; E963-R965 PolarHBondContact OE1-NH2 2.86Å; R965-L967 HydrophobicContact CG-CG 4.5Å; R965-G1014 WeakPolarHBondContact CD-O 3.44Å; R965-D1016 WeakPolarHBondContact CD-OD2 3.4Å; R965-D1016 IonicContact CZ-OD2 2.87Å; R965-D1016 IonicContact NE-OD2 3.65Å; R965-D1016 IonicContact NH1-OD2 2.78Å; R965-D1016 PolarHBondContact NH1-OD2 3.49Å |
| 966 | N | 86.7 | Confident | 85.2 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 136.4 | 167.8 | -74.1 | -94.5 | 0 | 0 | 0 | 109.6 | R957 F958 W959 | R957-N966 PolarHBondContact NE-OD1 2.96Å; F958-N966 WeakPolarHBondContact O-CA 3.5Å; W959-N966 WeakPolarHBondContact CZ3-ND2 3.37Å |
| 967 | L | 91.4 | Very high | 83.4 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.6 | 173.7 | -63.5 | 173.4 | 0 | 0 | 0 | 108.9 | F958 D960 R965 I973 K982 D1016 | F958-L967 HydrophobicContact CB-CB 4.37Å; F958-L967 PolarHBondContact N-O 3.03Å; F958-L967 PolarHBondContact O-N 3.26Å; D960-L967 HydrophobicContact CB-CD1 4.05Å; R965-L967 HydrophobicContact CG-CG 4.5Å; L967-I973 HydrophobicContact CB-CD1 4.05Å; L967-I973 HydrophobicContact CD1-CD1 3.96Å; L967-K982 HydrophobicContact CD1-CD 4.44Å; L967-D1016 HydrophobicContact CD2-CB 3.92Å; L967-D1016 WeakPolarHBondContact CD2-OD2 3.22Å |
| 968 | L | 94.3 | Very high | 81.7 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135 | 174.7 | -52.5 | -176.2 | 0 | 0 | 0 | 109.5 | L955 L956 R957 I988 Y1018 I1035 L1051 | L955-L968 HydrophobicContact CD1-CB 4.02Å; L955-L968 HydrophobicContact CD2-CD1 4.39Å; L956-L968 WeakPolarHBondContact O-CA 3.2Å; R957-L968 HydrophobicContact CB-CD2 3.75Å; R957-L968 HydrophobicContact CG-CD2 3.96Å; L968-I988 HydrophobicContact CD1-CD1 4.09Å; L968-I988 HydrophobicContact CD2-CD1 3.64Å; L968-I988 HydrophobicContact CG-CD1 4.48Å; L968-Y1018 HydrophobicContact CB-CD1 4.09Å; L968-Y1018 HydrophobicContact CB-CD2 3.9Å; L968-Y1018 HydrophobicContact CB-CE1 3.93Å; L968-Y1018 HydrophobicContact CB-CE2 3.77Å; L968-Y1018 HydrophobicContact CB-CG 4.07Å; L968-Y1018 HydrophobicContact CD1-CD2 3.66Å; L968-Y1018 HydrophobicContact CD1-CE2 4.29Å; L968-Y1018 HydrophobicContact CD1-CG 3.86Å; L968-Y1018 HydrophobicContact CG-CD2 3.64Å; L968-Y1018 HydrophobicContact CG-CE2 3.74Å; L968-Y1018 HydrophobicContact CG-CG 4.15Å; L968-Y1018 PolarHBondContact N-OH 3.33Å; L968-Y1018 VanDerWaalsContact O-CE1 3.3Å; L968-Y1018 WeakPolarHBondContact O-CE1 3.41Å; L968-Y1018 PolarHBondContact O-OH 3.4Å; L968-I1035 HydrophobicContact CB-CD1 4.36Å; L968-L1051 HydrophobicContact CD1-CD1 4.34Å; L968-L1051 HydrophobicContact CD1-CD2 3.81Å |
| 969 | S | 92.4 | Very high | 80.2 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 147.7 | -175.6 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | L956 T971 | L956-S969 WeakPolarHBondContact CA-O 3.39Å; L956-S969 WeakPolarHBondContact CB-O 3.48Å; L956-S969 PolarHBondContact N-O 3.42Å; L956-S969 PolarHBondContact O-N 3.01Å; S969-T971 VanDerWaalsContact C-N 3.31Å; S969-T971 WeakPolarHBondContact CB-O 3.49Å; S969-T971 PolarHBondContact OG-N 3.21Å; S969-T971 PolarHBondContact OG-O 3.13Å; S969-T971 PolarHBondContact OG-OG1 3.29Å |
| 970 | T | 91.9 | Very high | 78.9 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 31% | 0.307 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -88.2 | 1.1 | 170.2 | 46.6 | 0 | 0 | 0 | 0 | 113.3 | V953 E954 L955 I991 I1035 | V953-T970 HydrophobicContact CB-CG2 4.42Å; V953-T970 HydrophobicContact CG2-CG2 3.57Å; E954-T970 WeakPolarHBondContact O-CA 3.46Å; L955-T970 HydrophobicContact CD1-CG2 4.46Å; T970-I991 HydrophobicContact CG2-CD1 3.65Å; T970-I991 HydrophobicContact CG2-CG1 3.96Å; T970-I1035 WeakPolarHBondContact CG2-O 3.47Å |
| 971 | T | 89.4 | Confident | 78.1 | Confident | 76 Ų | 76 | 70.5 Ų | 70.5 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -130.8 | 156.9 | 176.9 | 63.4 | 0 | 0 | 0 | 0 | 111 | S969 I973 | S969-T971 VanDerWaalsContact C-N 3.31Å; S969-T971 WeakPolarHBondContact CB-O 3.49Å; S969-T971 PolarHBondContact OG-N 3.21Å; S969-T971 PolarHBondContact OG-O 3.13Å; S969-T971 PolarHBondContact OG-OG1 3.29Å; T971-I973 PolarHBondContact O-N 3.34Å; T971-I973 VanDerWaalsContact O-N 3.14Å |
| 972 | D | 87.3 | Confident | 78.4 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | trans | -77.9 | 101.4 | -178.2 | -154.8 | -41.2 | 0 | 0 | 0 | 112.3 | F958 S974 K984 | F958-D972 WeakPolarHBondContact CE1-OD1 3.49Å; D972-S974 VanDerWaalsContact OD1-CB 3.29Å; D972-S974 WeakPolarHBondContact OD1-CB 3.48Å; D972-S974 PolarHBondContact OD1-N 2.91Å; D972-S974 VanDerWaalsContact OD1-N 3.13Å; D972-S974 PolarHBondContact OD1-OG 3.46Å; D972-K984 WeakPolarHBondContact OD2-CD 3.49Å; D972-K984 WeakPolarHBondContact OD2-CE 3.15Å; D972-K984 IonicContact OD2-NZ 2.71Å; D972-K984 PolarHBondContact OD2-NZ 2.88Å | ||
| 973 | I | 87.8 | Confident | 78.9 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 10% | 0.103 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -88 | -1.7 | -178 | 67.8 | 177 | 0 | 0 | 0 | 113.7 | F958 L967 T971 K975 Q976 K982 | F958-I973 HydrophobicContact CB-CD1 4.2Å; F958-I973 HydrophobicContact CB-CG1 4.33Å; F958-I973 HydrophobicContact CD1-CG1 3.76Å; F958-I973 HydrophobicContact CD2-CD1 3.78Å; F958-I973 HydrophobicContact CD2-CG1 3.57Å; F958-I973 HydrophobicContact CE1-CG1 3.93Å; F958-I973 HydrophobicContact CE2-CD1 4.32Å; F958-I973 HydrophobicContact CE2-CG1 3.74Å; F958-I973 HydrophobicContact CG-CD1 3.92Å; F958-I973 HydrophobicContact CG-CG1 3.61Å; F958-I973 HydrophobicContact CZ-CG1 3.95Å; L967-I973 HydrophobicContact CB-CD1 4.05Å; L967-I973 HydrophobicContact CD1-CD1 3.96Å; T971-I973 PolarHBondContact O-N 3.34Å; T971-I973 VanDerWaalsContact O-N 3.14Å; I973-K975 PolarHBondContact O-N 3.35Å; I973-Q976 PolarHBondContact O-N 3.12Å; I973-K982 HydrophobicContact CD1-CD 4.37Å; I973-K982 HydrophobicContact CG1-CD 4.44Å |
| 974 | S | 81.5 | Confident | 79.5 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -61.6 | -24.9 | -178.2 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | D972 K982 | D972-S974 VanDerWaalsContact OD1-CB 3.29Å; D972-S974 WeakPolarHBondContact OD1-CB 3.48Å; D972-S974 PolarHBondContact OD1-N 2.91Å; D972-S974 VanDerWaalsContact OD1-N 3.13Å; D972-S974 PolarHBondContact OD1-OG 3.46Å; S974-K982 WeakPolarHBondContact CB-O 3.46Å |
| 975 | K | 73.8 | Confident | 79.9 | Confident | 192 Ų | 192 | 65.4 Ų | 65.4 | 84% | 0.835 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -105.2 | -2.7 | -179.1 | -59.9 | -175.8 | -178.2 | -179.6 | 0 | 114.3 | I973 | I973-K975 PolarHBondContact O-N 3.35Š|
| 976 | Q | 66.5 | Low | 80.3 | Confident | 117 Ų | 117 | 65.1 Ų | 65.1 | 55% | 0.547 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -80.4 | -17.2 | -165.7 | -74.2 | -175.5 | 8.3 | 0 | 0 | 115.3 | I973 | I973-Q976 PolarHBondContact O-N 3.12Š|
| 977 | T | 57.7 | Low | 80.5 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -136.3 | 106.6 | -177.8 | 40.3 | 0 | 0 | 0 | 0 | 111.1 | G979 T980 K982 | T977-G979 PolarHBondContact O-N 3.46Å; T977-T980 WeakPolarHBondContact CB-OG1 3.31Å; T977-T980 PolarHBondContact O-N 3.42Å; T977-T980 PolarHBondContact O-OG1 2.99Å; T977-T980 PolarHBondContact OG1-OG1 3.19Å; T977-K982 PolarHBondContact OG1-NZ 3.48Å |
| 978 | P | 56.2 | Low | 80.6 | Confident | 138 Ų | 138 | 67.9 Ų | 67.9 | 90% | 0.896 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 133.9 | 170.6 | -25.5 | 35 | 0 | 0 | 0 | 111.2 | ||
| 979 | G | 60.1 | Low | 80.6 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 79% | 0.794 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.4 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T977 Q981 | T977-G979 PolarHBondContact O-N 3.46Å; G979-Q981 PolarHBondContact O-N 2.91Å |
| 980 | T | 61 | Low | 80.7 | Confident | 35 Ų | 35 | 69.8 Ų | 69.8 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | trans | -86.2 | 112.9 | -176.2 | 27 | 0 | 0 | 0 | 0 | 111.7 | E962 T977 K982 | E962-T980 WeakPolarHBondContact OE2-CG2 3.43Å; T977-T980 WeakPolarHBondContact CB-OG1 3.31Å; T977-T980 PolarHBondContact O-N 3.42Å; T977-T980 PolarHBondContact O-OG1 2.99Å; T977-T980 PolarHBondContact OG1-OG1 3.19Å; T980-K982 PolarHBondContact O-N 3.02Å | ||
| 981 | Q | 69.7 | Low | 80.8 | Confident | 145 Ų | 145 | 67.4 Ų | 67.4 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | trans | -75.1 | 85.2 | 176.6 | -71.7 | -170 | -9.6 | 0 | 0 | 112.1 | A961 G979 I983 | A961-Q981 PolarHBondContact N-O 3.29Å; G979-Q981 PolarHBondContact O-N 2.91Å; Q981-I983 PolarHBondContact O-N 3.15Å | ||
| 982 | K | 85.2 | Confident | 81 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 94.2 | 170.2 | -70 | 167.4 | -174.1 | 159.9 | 0 | 110 | W959 D960 L967 I973 S974 T977 T980 K984 | W959-K982 CarbonylContact O-C 3.52Å; W959-K982 WeakPolarHBondContact O-CA 3.48Å; D960-K982 HydrophobicContact CB-CG 4.39Å; L967-K982 HydrophobicContact CD1-CD 4.44Å; I973-K982 HydrophobicContact CD1-CD 4.37Å; I973-K982 HydrophobicContact CG1-CD 4.44Å; S974-K982 WeakPolarHBondContact CB-O 3.46Å; T977-K982 PolarHBondContact OG1-NZ 3.48Å; T980-K982 PolarHBondContact O-N 3.02Å; K982-K984 PolarHBondContact O-N 3.13Å |
| 983 | I | 86.8 | Confident | 81.2 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122 | -178.3 | -57 | 175.3 | 0 | 0 | 0 | 108.9 | F958 W959 Q981 V985 | F958-I983 CarbonylContact C-O 3.57Å; F958-I983 VanDerWaalsContact CA-O 3.24Å; F958-I983 WeakPolarHBondContact CA-O 3.44Å; W959-I983 PolarHBondContact N-O 2.86Å; W959-I983 PolarHBondContact O-N 2.96Å; Q981-I983 PolarHBondContact O-N 3.15Å; I983-V985 PolarHBondContact O-N 3.4Å |
| 984 | K | 90.4 | Very high | 81.1 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 118.9 | 172.3 | -171.5 | 175.5 | -173.7 | 173.4 | 0 | 109.1 | F958 D972 K982 | F958-K984 HydrophobicContact CD1-CB 3.87Å; F958-K984 HydrophobicContact CD1-CG 4.23Å; F958-K984 HydrophobicContact CE1-CB 3.61Å; F958-K984 HydrophobicContact CE1-CD 4.16Å; F958-K984 HydrophobicContact CE1-CG 3.66Å; F958-K984 HydrophobicContact CZ-CB 4.48Å; F958-K984 HydrophobicContact CZ-CD 4.38Å; F958-K984 HydrophobicContact CZ-CG 4.05Å; D972-K984 WeakPolarHBondContact OD2-CD 3.49Å; D972-K984 WeakPolarHBondContact OD2-CE 3.15Å; D972-K984 IonicContact OD2-NZ 2.71Å; D972-K984 PolarHBondContact OD2-NZ 2.88Å; K982-K984 PolarHBondContact O-N 3.13Å |
| 985 | V | 86.5 | Confident | 81.1 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -41.6 | 179.8 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | R957 W959 I983 | R957-V985 HydrophobicContact CB-CB 4.43Å; R957-V985 HydrophobicContact CG-CB 4.15Å; R957-V985 HydrophobicContact CG-CG2 4.22Å; R957-V985 WeakPolarHBondContact O-CB 3.31Å; R957-V985 PolarHBondContact O-N 2.67Å; W959-V985 HydrophobicContact CB-CG2 4.06Å; I983-V985 PolarHBondContact O-N 3.4Å |
| 986 | G | 89.7 | Confident | 80.9 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 27% | 0.268 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L956 R957 | L956-G986 WeakPolarHBondContact CA-O 3.47Å; R957-G986 PolarHBondContact N-O 2.83Å; R957-G986 PolarHBondContact O-N 2.85Å |
| 987 | I | 91.8 | Very high | 80.9 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 135.6 | 166.6 | -54.4 | 155.6 | 0 | 0 | 0 | 107.8 | E954 L956 G989 A1094 | E954-I987 HydrophobicContact CB-CG1 4.46Å; E954-I987 HydrophobicContact CB-CG2 3.99Å; E954-I987 HydrophobicContact CG-CD1 4.49Å; E954-I987 HydrophobicContact CG-CG2 4.19Å; E954-I987 WeakPolarHBondContact OE2-CD1 3.13Å; L956-I987 HydrophobicContact CD2-CB 4.25Å; L956-I987 HydrophobicContact CD2-CG1 3.5Å; L956-I987 VanDerWaalsContact CD2-CG1 3.5Å; I987-G989 WeakPolarHBondContact CG2-O 3.43Å; I987-A1094 HydrophobicContact CB-CB 4.48Å; I987-A1094 HydrophobicContact CG2-CB 3.6Å |
| 988 | I | 92.7 | Very high | 81.6 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 3.9 | -178.2 | 69.9 | 155.9 | 0 | 0 | 0 | 113.8 | L955 R957 L968 H1049 L1051 Q1065 M1091 | L955-I988 HydrophobicContact CB-CG1 4.09Å; L955-I988 HydrophobicContact CD2-CD1 3.92Å; L955-I988 HydrophobicContact CD2-CG1 4.1Å; L955-I988 HydrophobicContact CG-CD1 4.06Å; L955-I988 HydrophobicContact CG-CG1 3.84Å; L955-I988 VanDerWaalsContact O-CG1 3.3Å; L955-I988 WeakPolarHBondContact O-CG1 3.37Å; L955-I988 PolarHBondContact O-N 2.93Å; R957-I988 HydrophobicContact CB-CD1 4.49Å; R957-I988 HydrophobicContact CB-CG2 3.4Å; R957-I988 HydrophobicContact CG-CG2 4.39Å; L968-I988 HydrophobicContact CD1-CD1 4.09Å; L968-I988 HydrophobicContact CD2-CD1 3.64Å; L968-I988 HydrophobicContact CG-CD1 4.48Å; I988-H1049 PolarHBondContact O-CD2 3.21Å; I988-H1049 VanDerWaalsContact O-CD2 3.24Å; I988-L1051 HydrophobicContact CD1-CD1 3.86Å; I988-Q1065 HydrophobicContact CB-CB 3.96Å; I988-Q1065 HydrophobicContact CB-CG 3.87Å; I988-Q1065 VanDerWaalsContact CG2-CD 3.49Å; I988-Q1065 HydrophobicContact CG2-CG 4.3Å; I988-Q1065 VanDerWaalsContact CG2-OE1 3.25Å; I988-Q1065 WeakPolarHBondContact O-CB 3.42Å; I988-M1091 HydrophobicContact CD1-CE 4.34Å |
| 989 | G | 93.5 | Very high | 82.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 145.9 | -170.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L955 I987 W1092 | L955-G989 PolarHBondContact N-O 3.36Å; I987-G989 WeakPolarHBondContact CG2-O 3.43Å; G989-W1092 CarbonylContact C-O 3.52Å; G989-W1092 WeakPolarHBondContact CA-O 3.46Å |
| 990 | K | 95 | Very high | 83.6 | Confident | 60 Ų | 60 | 61 Ų | 61 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136.9 | 174 | -80.9 | 166 | 177.5 | 159.4 | 0 | 110.5 | V953 E954 M1091 W1092 A1094 | V953-K990 CarbonylContact O-C 3.51Å; V953-K990 VanDerWaalsContact O-CA 3.31Å; V953-K990 WeakPolarHBondContact O-CA 3.44Å; E954-K990 HydrophobicContact CG-CG 4.26Å; K990-M1091 WeakPolarHBondContact O-CB 3.38Å; K990-W1092 HydrophobicContact CB-CB 4.33Å; K990-W1092 PolarHBondContact N-O 3.31Å; K990-W1092 PolarHBondContact O-N 3.31Å; K990-A1094 WeakPolarHBondContact CE-OXT 3.34Å; K990-A1094 PolarHBondContact NZ-OXT 3.05Å |
| 991 | I | 95.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.4 | 174.7 | 62.5 | 170.7 | 0 | 0 | 0 | 110 | F952 V953 L955 T970 I1005 I1035 A1038 F1089 M1091 | F952-I991 WeakPolarHBondContact CA-O 3.49Å; V953-I991 HydrophobicContact CG2-CG1 4.12Å; V953-I991 PolarHBondContact N-O 2.83Å; V953-I991 PolarHBondContact O-N 3.49Å; L955-I991 HydrophobicContact CB-CG1 4.4Å; L955-I991 HydrophobicContact CB-CG2 4.34Å; L955-I991 HydrophobicContact CD1-CD1 4.07Å; L955-I991 HydrophobicContact CD2-CG2 4.02Å; T970-I991 HydrophobicContact CG2-CD1 3.65Å; T970-I991 HydrophobicContact CG2-CG1 3.96Å; I991-I1005 HydrophobicContact CB-CD1 4.17Å; I991-I1005 HydrophobicContact CD1-CD1 3.66Å; I991-I1005 HydrophobicContact CG2-CD1 3.83Å; I991-I1035 HydrophobicContact CD1-CD1 4.36Å; I991-I1035 HydrophobicContact CD1-CG1 4.4Å; I991-A1038 HydrophobicContact CG2-CB 4.46Å; I991-F1089 HydrophobicContact CG2-CE2 4.25Å; I991-M1091 HydrophobicContact CG2-CB 3.88Å; I991-M1091 HydrophobicContact CG2-SD 4.18Å |
| 992 | V | 92.8 | Very high | 85.6 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 141.6 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | Y951 F952 Q994 L1002 G1036 Y1037 W1092 | Y951-V992 HydrophobicContact CD1-CG1 4.01Å; Y951-V992 HydrophobicContact CD1-CG2 4.42Å; Y951-V992 HydrophobicContact CD2-CG1 3.89Å; Y951-V992 HydrophobicContact CE1-CG1 3.64Å; Y951-V992 HydrophobicContact CE1-CG2 3.97Å; Y951-V992 HydrophobicContact CE2-CG1 3.5Å; Y951-V992 VanDerWaalsContact CE2-CG1 3.5Å; Y951-V992 HydrophobicContact CG-CG1 4.14Å; Y951-V992 CarbonylContact O-C 3.58Å; Y951-V992 VanDerWaalsContact O-CA 3.26Å; Y951-V992 WeakPolarHBondContact O-CA 3.46Å; Y951-V992 WeakPolarHBondContact O-CG1 3.34Å; F952-V992 HydrophobicContact CD1-CG2 3.76Å; F952-V992 HydrophobicContact CE1-CG2 3.45Å; F952-V992 VanDerWaalsContact CE1-CG2 3.45Å; F952-V992 HydrophobicContact CZ-CG2 4.23Å; V992-Q994 WeakPolarHBondContact CG1-O 3.19Å; V992-L1002 HydrophobicContact CB-CD1 4.24Å; V992-L1002 HydrophobicContact CB-CD2 4.03Å; V992-L1002 HydrophobicContact CG1-CD1 3.97Å; V992-L1002 HydrophobicContact CG2-CD1 4.27Å; V992-L1002 HydrophobicContact CG2-CD2 3.9Å; V992-G1036 CarbonylContact O-C 3.56Å; V992-G1036 WeakPolarHBondContact O-CA 3.32Å; V992-Y1037 PolarHBondContact N-O 3.16Å; V992-Y1037 PolarHBondContact O-N 3.41Å; V992-W1092 HydrophobicContact CG2-CE3 4.37Å; V992-W1092 HydrophobicContact CG2-CH2 3.95Å; V992-W1092 HydrophobicContact CG2-CZ3 3.77Å |
| 993 | T | 91.1 | Very high | 85.8 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -74.7 | -35.6 | 179.2 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | N950 Y951 V953 Y1037 | N950-T993 WeakPolarHBondContact O-CG2 3.49Å; N950-T993 PolarHBondContact O-OG1 3.46Å; Y951-T993 PolarHBondContact O-N 3.36Å; Y951-T993 PolarHBondContact O-OG1 3.47Å; V953-T993 HydrophobicContact CB-CG2 4.14Å; V953-T993 HydrophobicContact CG1-CG2 3.43Å; V953-T993 VanDerWaalsContact CG1-CG2 3.43Å; V953-T993 HydrophobicContact CG2-CG2 3.61Å; T993-Y1037 WeakPolarHBondContact O-CD2 3.33Å; T993-Y1037 WeakPolarHBondContact O-CE2 3.48Å |
| 994 | Q | 85.5 | Confident | 86.2 | Confident | 102 Ų | 102 | 56 Ų | 56 | 48% | 0.477 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -146.3 | 147.4 | -174.4 | 57.1 | -178.7 | -13.3 | 0 | 0 | 111.8 | Y951 V992 G996 | Y951-Q994 HydrophobicContact CD2-CG 4.37Å; Y951-Q994 HydrophobicContact CE2-CG 4.46Å; Y951-Q994 WeakPolarHBondContact CE2-O 3.14Å; V992-Q994 WeakPolarHBondContact CG1-O 3.19Å; Q994-G996 PolarHBondContact O-N 3.43Å; Q994-G996 VanDerWaalsContact O-N 3.16Å |
| 995 | P | 81 | Confident | 86.5 | Confident | 79 Ų | 79 | 51.4 Ų | 51.4 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | trans | -72 | 112.8 | -176.9 | 30 | -32 | 0 | 0 | 0 | 110.4 | L1002 Y1037 | P995-L1002 HydrophobicContact CB-CB 4.47Å; P995-Y1037 HydrophobicContact CB-CD1 4.12Å; P995-Y1037 HydrophobicContact CB-CE1 4.12Å; P995-Y1037 HydrophobicContact CG-CD1 4.4Å; P995-Y1037 HydrophobicContact CG-CE1 3.93Å | ||
| 996 | G | 70.1 | Confident | 86.9 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | trans | -98.9 | 151.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y951 Q994 Q998 C999 | Y951-G996 WeakPolarHBondContact OH-CA 3.37Å; Y951-G996 PolarHBondContact OH-N 3.44Å; Q994-G996 PolarHBondContact O-N 3.43Å; Q994-G996 VanDerWaalsContact O-N 3.16Å; G996-Q998 PolarHBondContact O-N 2.96Å; G996-Q998 VanDerWaalsContact O-N 3.08Å; G996-C999 CarbonylContact O-C 3.5Å; G996-C999 PolarHBondContact O-N 3.14Å | ||
| 997 | P | 66.9 | Low | 87.1 | Confident | 132 Ų | 132 | 52.2 Ų | 52.2 | 86% | 0.857 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.7 | -179.5 | 27.7 | -36 | 0 | 0 | 0 | 113.8 | C999 | P997-C999 VanDerWaalsContact C-N 3.25Å; P997-C999 PolarHBondContact O-N 3.14Å |
| 998 | Q | 72.7 | Confident | 87.1 | Confident | 137 Ų | 137 | 49.1 Ų | 49.1 | 64% | 0.64 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.9 | 174.9 | -59 | -176.8 | 18.2 | 0 | 0 | 113.1 | G996 | G996-Q998 PolarHBondContact O-N 2.96Å; G996-Q998 VanDerWaalsContact O-N 3.08Å |
| 999 | C | 79.8 | Confident | 87 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -139.1 | 83.6 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | G996 P997 Q1001 L1002 C1045 | G996-C999 CarbonylContact O-C 3.5Å; G996-C999 PolarHBondContact O-N 3.14Å; P997-C999 VanDerWaalsContact C-N 3.25Å; P997-C999 PolarHBondContact O-N 3.14Å; C999-Q1001 PolarHBondContact O-N 2.97Å; C999-L1002 HydrophobicContact CB-CD1 3.88Å; C999-L1002 HydrophobicContact CB-CG 3.87Å; C999-L1002 WeakPolarHBondContact O-CB 3.43Å; C999-L1002 PolarHBondContact O-N 2.91Å; C999-L1002 VanDerWaalsContact O-N 3.15Å; C999-C1045 VanDerWaalsContact CA-SG 3.5Å; C999-C1045 HydrophobicContact CB-CB 3.76Å; C999-C1045 WeakPolarHBondContact CB-SG 3.36Å; C999-C1045 WeakPolarHBondContact SG-CB 3.44Å; C999-C1045 CovalentContact SG-SG 2.02Å; C999-C1045 PolarHBondContact SG-SG 3.2Å | ||
| 1000 | P | 78.6 | Confident | 86.5 | Confident | 119 Ų | 119 | 52 Ų | 52 | 77% | 0.773 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -5.7 | -177.9 | 28.3 | -36 | 0 | 0 | 0 | 114.2 | ||
| 1001 | Q | 82.4 | Confident | 85.6 | Confident | 107 Ų | 107 | 51.5 Ų | 51.5 | 50% | 0.5 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 8.7 | 177.2 | -68.9 | 169.6 | -51.7 | 0 | 0 | 113.1 | C999 M1003 I1044 | C999-Q1001 PolarHBondContact O-N 2.97Å; Q1001-M1003 PolarHBondContact O-N 3.42Å; Q1001-I1044 HydrophobicContact CB-CG2 3.65Å; Q1001-I1044 HydrophobicContact CG-CG2 4.42Å |
| 1002 | L | 88.8 | Confident | 84.4 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | trans | -66.1 | 117.3 | 170.8 | -81.3 | 169.5 | 0 | 0 | 0 | 111.3 | Y951 V992 P995 C999 V1039 W1092 | Y951-L1002 WeakPolarHBondContact OH-CD1 3.24Å; V992-L1002 HydrophobicContact CB-CD1 4.24Å; V992-L1002 HydrophobicContact CB-CD2 4.03Å; V992-L1002 HydrophobicContact CG1-CD1 3.97Å; V992-L1002 HydrophobicContact CG2-CD1 4.27Å; V992-L1002 HydrophobicContact CG2-CD2 3.9Å; P995-L1002 HydrophobicContact CB-CB 4.47Å; C999-L1002 HydrophobicContact CB-CD1 3.88Å; C999-L1002 HydrophobicContact CB-CG 3.87Å; C999-L1002 WeakPolarHBondContact O-CB 3.43Å; C999-L1002 PolarHBondContact O-N 2.91Å; C999-L1002 VanDerWaalsContact O-N 3.15Å; L1002-V1039 HydrophobicContact CD2-CG1 4.02Å; L1002-V1039 HydrophobicContact CG-CG1 4.49Å; L1002-W1092 HydrophobicContact CD2-CH2 3.81Å; L1002-W1092 HydrophobicContact CD2-CZ3 4.27Å | ||
| 1003 | M | 90.7 | Very high | 83 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.9 | 173.3 | -64.1 | -175.1 | 70.6 | 0 | 0 | 110.7 | Q1001 L1020 Y1037 A1038 P1040 | Q1001-M1003 PolarHBondContact O-N 3.42Å; M1003-L1020 HydrophobicContact CB-CB 4.04Å; M1003-L1020 HydrophobicContact CB-CD1 4.08Å; M1003-L1020 HydrophobicContact CB-CD2 3.92Å; M1003-L1020 HydrophobicContact CB-CG 4.2Å; M1003-L1020 HydrophobicContact CE-CB 4.09Å; M1003-L1020 HydrophobicContact SD-CB 4.17Å; M1003-L1020 HydrophobicContact SD-CD1 4.26Å; M1003-Y1037 VanDerWaalsContact O-CA 3.29Å; M1003-Y1037 WeakPolarHBondContact O-CA 3.39Å; M1003-A1038 PolarHBondContact N-O 3.33Å; M1003-A1038 PolarHBondContact O-N 3.27Å; M1003-A1038 VanDerWaalsContact O-O 3.13Å; M1003-P1040 HydrophobicContact SD-CB 4.43Å; M1003-P1040 HydrophobicContact SD-CG 4.34Å |
| 1004 | P | 95.2 | Very high | 82.3 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 132.8 | 176.4 | 27.3 | -33.6 | 0 | 0 | 0 | 111.6 | Y1006 I1034 Y1037 | P1004-Y1006 HydrophobicContact CG-CE1 4.43Å; P1004-Y1006 HydrophobicContact CG-CE2 3.82Å; P1004-Y1006 WeakPolarHBondContact O-CD2 3.21Å; P1004-Y1006 PolarHBondContact O-N 3.46Å; P1004-I1034 HydrophobicContact CB-CB 4.47Å; P1004-I1034 HydrophobicContact CB-CD1 3.69Å; P1004-I1034 HydrophobicContact CB-CG1 3.96Å; P1004-I1034 HydrophobicContact CB-CG2 3.66Å; P1004-I1034 HydrophobicContact CG-CD1 4.4Å; P1004-Y1037 HydrophobicContact CB-CD1 4.04Å; P1004-Y1037 HydrophobicContact CB-CE1 3.69Å; P1004-Y1037 HydrophobicContact CG-CE1 4.34Å |
| 1005 | I | 96.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 100.2 | 171.6 | -54.6 | 156.4 | 0 | 0 | 0 | 108.3 | I991 L1020 I1034 I1035 G1036 A1038 F1089 | I991-I1005 HydrophobicContact CB-CD1 4.17Å; I991-I1005 HydrophobicContact CD1-CD1 3.66Å; I991-I1005 HydrophobicContact CG2-CD1 3.83Å; I1005-L1020 HydrophobicContact CB-CD2 4.48Å; I1005-L1020 HydrophobicContact CG1-CD2 3.79Å; I1005-I1034 WeakPolarHBondContact O-CA 3.3Å; I1005-I1035 HydrophobicContact CB-CG1 3.88Å; I1005-I1035 HydrophobicContact CD1-CG1 4.43Å; I1005-I1035 HydrophobicContact CG2-CD1 3.97Å; I1005-I1035 HydrophobicContact CG2-CG1 3.75Å; I1005-I1035 PolarHBondContact O-N 2.74Å; I1005-I1035 VanDerWaalsContact O-N 3.09Å; I1005-G1036 PolarHBondContact N-O 2.91Å; I1005-A1038 HydrophobicContact CD1-CB 3.69Å; I1005-A1038 HydrophobicContact CG1-CB 3.82Å; I1005-F1089 HydrophobicContact CB-CE1 4.42Å; I1005-F1089 HydrophobicContact CD1-CD2 4.35Å; I1005-F1089 HydrophobicContact CD1-CE1 4.24Å; I1005-F1089 HydrophobicContact CD1-CE2 3.78Å; I1005-F1089 HydrophobicContact CD1-CZ 3.71Å; I1005-F1089 HydrophobicContact CG1-CD1 4.26Å; I1005-F1089 HydrophobicContact CG1-CE1 4.03Å; I1005-F1089 HydrophobicContact CG1-CE2 4.28Å; I1005-F1089 HydrophobicContact CG1-CG 4.5Å; I1005-F1089 HydrophobicContact CG1-CZ 4.02Å; I1005-F1089 HydrophobicContact CG2-CD1 4.23Å; I1005-F1089 HydrophobicContact CG2-CE1 3.49Å; I1005-F1089 VanDerWaalsContact CG2-CE1 3.49Å; I1005-F1089 HydrophobicContact CG2-CZ 3.87Å |
| 1006 | Y | 94.7 | Very high | 82.6 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.5 | 172.9 | -60.8 | -78.2 | 0 | 0 | 0 | 110.6 | P1004 Y1018 T1019 K1022 G1033 I1034 | P1004-Y1006 HydrophobicContact CG-CE1 4.43Å; P1004-Y1006 HydrophobicContact CG-CE2 3.82Å; P1004-Y1006 WeakPolarHBondContact O-CD2 3.21Å; P1004-Y1006 PolarHBondContact O-N 3.46Å; Y1006-Y1018 WeakPolarHBondContact O-CA 3.22Å; Y1006-T1019 PolarHBondContact N-O 2.8Å; Y1006-T1019 PolarHBondContact O-N 2.79Å; Y1006-K1022 HydrophobicContact CD1-CD 3.94Å; Y1006-K1022 HydrophobicContact CD2-CB 3.88Å; Y1006-K1022 HydrophobicContact CD2-CD 3.97Å; Y1006-K1022 HydrophobicContact CD2-CG 4.03Å; Y1006-K1022 HydrophobicContact CE1-CD 3.72Å; Y1006-K1022 HydrophobicContact CE2-CB 4.39Å; Y1006-K1022 HydrophobicContact CE2-CD 3.75Å; Y1006-K1022 HydrophobicContact CE2-CG 4.03Å; Y1006-K1022 HydrophobicContact CG-CB 4.03Å; Y1006-K1022 HydrophobicContact CG-CD 4.05Å; Y1006-K1022 HydrophobicContact CG-CG 4.39Å; Y1006-K1022 VanDerWaalsContact CZ-NZ 3.33Å; Y1006-K1022 PolarHBondContact OH-NZ 3.31Å; Y1006-G1033 WeakPolarHBondContact CA-O 3.44Å; Y1006-I1034 HydrophobicContact CD1-CD1 4.38Å; Y1006-I1034 HydrophobicContact CD1-CG1 3.81Å; Y1006-I1034 HydrophobicContact CE1-CD1 3.98Å; Y1006-I1034 HydrophobicContact CE1-CG1 3.93Å |
| 1007 | W | 94.7 | Very high | 83.6 | Confident | 74 Ų | 74 | 49 Ų | 49 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.7 | 167.6 | 173.6 | 19.4 | 0 | 0 | 0 | 108.7 | D1016 Y1018 N1031 K1032 G1033 I1035 | W1007-D1016 PolarHBondContact NE1-OD1 3.44Å; W1007-Y1018 HydrophobicContact CB-CD1 3.8Å; W1007-Y1018 HydrophobicContact CB-CE1 3.62Å; W1007-Y1018 AromaticContact CD1-CE1 3.4Å; W1007-Y1018 VanDerWaalsContact CD1-CE1 3.4Å; W1007-Y1018 AromaticContact CD1-CZ 3.5Å; W1007-Y1018 VanDerWaalsContact CD1-CZ 3.5Å; W1007-Y1018 AromaticContact CD2-CE1 3.94Å; W1007-Y1018 HydrophobicContact CD2-CE1 3.94Å; W1007-Y1018 HydrophobicContact CG-CD1 4.01Å; W1007-Y1018 AromaticContact CG-CE1 3.36Å; W1007-Y1018 HydrophobicContact CG-CE1 3.36Å; W1007-Y1018 AromaticContact CG-CZ 3.89Å; W1007-Y1018 AromaticContact NE1-CZ 3.75Å; W1007-Y1018 PolarHBondContact NE1-OH 3.36Å; W1007-N1031 PolarHBondContact O-OD1 3.44Å; W1007-K1032 HydrophobicContact CB-CB 4.15Å; W1007-K1032 HydrophobicContact CD2-CB 3.4Å; W1007-K1032 VanDerWaalsContact CD2-CB 3.4Å; W1007-K1032 HydrophobicContact CD2-CG 3.96Å; W1007-K1032 HydrophobicContact CE3-CB 3.62Å; W1007-K1032 HydrophobicContact CE3-CG 4.46Å; W1007-K1032 HydrophobicContact CG-CB 3.66Å; W1007-K1032 HydrophobicContact CG-CG 4.24Å; W1007-K1032 HydrophobicContact CZ2-CB 4.36Å; W1007-K1032 HydrophobicContact CZ2-CD 4.44Å; W1007-K1032 HydrophobicContact CZ2-CG 4.19Å; W1007-K1032 HydrophobicContact CZ3-CB 4.2Å; W1007-K1032 WeakPolarHBondContact O-CB 3.43Å; W1007-K1032 PolarHBondContact O-N 3.39Å; W1007-G1033 PolarHBondContact N-O 3.42Å; W1007-I1035 HydrophobicContact CB-CG2 4.09Å; W1007-I1035 HydrophobicContact CE3-CG2 4.28Å |
| 1008 | L | 91.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136 | -178.2 | -49.4 | 178.6 | 0 | 0 | 0 | 110.4 | D1016 I1017 T1019 K1022 Y1025 Y1029 N1031 | L1008-D1016 CarbonylContact O-C 3.55Å; L1008-D1016 WeakPolarHBondContact O-CA 3.42Å; L1008-I1017 HydrophobicContact CB-CG2 3.86Å; L1008-I1017 HydrophobicContact CD1-CG2 4.48Å; L1008-I1017 PolarHBondContact N-O 2.69Å; L1008-I1017 PolarHBondContact O-N 2.95Å; L1008-T1019 HydrophobicContact CD1-CG2 3.89Å; L1008-T1019 HydrophobicContact CG-CG2 4.46Å; L1008-K1022 HydrophobicContact CD1-CB 4.05Å; L1008-K1022 HydrophobicContact CD2-CB 4.33Å; L1008-Y1025 HydrophobicContact CD1-CD2 3.88Å; L1008-Y1025 HydrophobicContact CD1-CG 4.12Å; L1008-Y1029 HydrophobicContact CB-CD1 3.9Å; L1008-Y1029 HydrophobicContact CB-CG 4.49Å; L1008-N1031 HydrophobicContact CD2-CB 3.81Å |
| 1009 | Y | 89.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.4 | -179.7 | 173.5 | -111.1 | 0 | 0 | 0 | 112.4 | D1016 Y1029 K1030 | Y1009-D1016 WeakPolarHBondContact CB-OD1 3.28Å; Y1009-D1016 WeakPolarHBondContact CD2-OD1 3.34Å; Y1009-D1016 WeakPolarHBondContact CD2-OD2 3.35Å; Y1009-Y1029 CarbonylContact O-C 3.56Å; Y1009-Y1029 WeakPolarHBondContact O-CA 3.36Å; Y1009-K1030 PolarHBondContact N-O 3.27Å; Y1009-K1030 PolarHBondContact O-N 3.02Å |
| 1010 | N | 83 | Confident | 86.5 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 12% | 0.123 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 98.8 | 175.1 | 178.2 | 17.3 | 0 | 0 | 0 | 111.7 | T1012 G1013 G1014 T1015 Y1029 | N1010-T1012 PolarHBondContact O-N 3.48Å; N1010-T1012 VanDerWaalsContact O-N 3.14Å; N1010-T1012 PolarHBondContact OD1-N 3.41Å; N1010-T1012 PolarHBondContact OD1-OG1 3.16Å; N1010-G1013 PolarHBondContact O-N 3.44Å; N1010-G1014 PolarHBondContact O-N 3.07Å; N1010-T1015 PolarHBondContact N-O 3.46Å; N1010-Y1029 HydrophobicContact CB-CD1 3.73Å; N1010-Y1029 HydrophobicContact CB-CD2 4.26Å; N1010-Y1029 HydrophobicContact CB-CE1 3.48Å; N1010-Y1029 VanDerWaalsContact CB-CE1 3.48Å; N1010-Y1029 HydrophobicContact CB-CE2 4.04Å; N1010-Y1029 HydrophobicContact CB-CG 4.12Å |
| 1011 | G | 76.5 | Confident | 86.8 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 53% | 0.526 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1012 | T | 69.8 | Low | 86.9 | Confident | 131 Ų | 131 | 31.2 Ų | 31.2 | 80% | 0.804 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.1 | 175.6 | -14.8 | 0 | 0 | 0 | 0 | 113.3 | N1010 | N1010-T1012 PolarHBondContact O-N 3.48Å; N1010-T1012 VanDerWaalsContact O-N 3.14Å; N1010-T1012 PolarHBondContact OD1-N 3.41Å; N1010-T1012 PolarHBondContact OD1-OG1 3.16Å |
| 1013 | G | 64 | Low | 86.4 | Confident | 34 Ų | 34 | 37 Ų | 37 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -11.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1010 T1015 | N1010-G1013 PolarHBondContact O-N 3.44Å; G1013-T1015 PolarHBondContact O-N 3.31Å |
| 1014 | G | 77.1 | Confident | 85.7 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 22% | 0.216 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 3.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R965 N1010 | R965-G1014 WeakPolarHBondContact CD-O 3.44Å; N1010-G1014 PolarHBondContact O-N 3.07Å |
| 1015 | T | 82.7 | Confident | 84.8 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.2 | -167.7 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | N1010 G1013 I1059 | N1010-T1015 PolarHBondContact N-O 3.46Å; G1013-T1015 PolarHBondContact O-N 3.31Å; T1015-I1059 WeakPolarHBondContact CG2-O 3.45Å |
| 1016 | D | 89.8 | Confident | 83.2 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 148.1 | 167.2 | -67.1 | -86.3 | 0 | 0 | 0 | 110.2 | R965 L967 W1007 L1008 Y1009 Y1018 | R965-D1016 WeakPolarHBondContact CD-OD2 3.4Å; R965-D1016 IonicContact CZ-OD2 2.87Å; R965-D1016 IonicContact NE-OD2 3.65Å; R965-D1016 IonicContact NH1-OD2 2.78Å; R965-D1016 PolarHBondContact NH1-OD2 3.49Å; L967-D1016 HydrophobicContact CD2-CB 3.92Å; L967-D1016 WeakPolarHBondContact CD2-OD2 3.22Å; W1007-D1016 PolarHBondContact NE1-OD1 3.44Å; L1008-D1016 CarbonylContact O-C 3.55Å; L1008-D1016 WeakPolarHBondContact O-CA 3.42Å; Y1009-D1016 WeakPolarHBondContact CB-OD1 3.28Å; Y1009-D1016 WeakPolarHBondContact CD2-OD1 3.34Å; Y1009-D1016 WeakPolarHBondContact CD2-OD2 3.35Å; D1016-Y1018 HydrophobicContact CB-CE2 4.19Å |
| 1017 | I | 90.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 143.5 | 178.5 | -164.9 | 167.3 | 0 | 0 | 0 | 111 | L1008 Y1025 Y1029 T1061 | L1008-I1017 HydrophobicContact CB-CG2 3.86Å; L1008-I1017 HydrophobicContact CD1-CG2 4.48Å; L1008-I1017 PolarHBondContact N-O 2.69Å; L1008-I1017 PolarHBondContact O-N 2.95Å; I1017-Y1025 HydrophobicContact CD1-CD1 4.39Å; I1017-Y1025 HydrophobicContact CD1-CE1 3.5Å; I1017-Y1025 VanDerWaalsContact CD1-CE1 3.5Å; I1017-Y1025 WeakPolarHBondContact CD1-OH 3.29Å; I1017-Y1029 HydrophobicContact CG2-CD1 3.89Å; I1017-Y1029 HydrophobicContact CG2-CE1 3.57Å; I1017-T1061 HydrophobicContact CD1-CG2 3.79Å; I1017-T1061 HydrophobicContact CG1-CG2 4.27Å |
| 1018 | Y | 95.1 | Very high | 80.6 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 113.8 | -170.4 | -60.5 | -90.5 | 0 | 0 | 0 | 109.5 | L968 Y1006 W1007 D1016 I1035 Q1063 | L968-Y1018 HydrophobicContact CB-CD1 4.09Å; L968-Y1018 HydrophobicContact CB-CD2 3.9Å; L968-Y1018 HydrophobicContact CB-CE1 3.93Å; L968-Y1018 HydrophobicContact CB-CE2 3.77Å; L968-Y1018 HydrophobicContact CB-CG 4.07Å; L968-Y1018 HydrophobicContact CD1-CD2 3.66Å; L968-Y1018 HydrophobicContact CD1-CE2 4.29Å; L968-Y1018 HydrophobicContact CD1-CG 3.86Å; L968-Y1018 HydrophobicContact CG-CD2 3.64Å; L968-Y1018 HydrophobicContact CG-CE2 3.74Å; L968-Y1018 HydrophobicContact CG-CG 4.15Å; L968-Y1018 PolarHBondContact N-OH 3.33Å; L968-Y1018 VanDerWaalsContact O-CE1 3.3Å; L968-Y1018 WeakPolarHBondContact O-CE1 3.41Å; L968-Y1018 PolarHBondContact O-OH 3.4Å; Y1006-Y1018 WeakPolarHBondContact O-CA 3.22Å; W1007-Y1018 HydrophobicContact CB-CD1 3.8Å; W1007-Y1018 HydrophobicContact CB-CE1 3.62Å; W1007-Y1018 AromaticContact CD1-CE1 3.4Å; W1007-Y1018 VanDerWaalsContact CD1-CE1 3.4Å; W1007-Y1018 AromaticContact CD1-CZ 3.5Å; W1007-Y1018 VanDerWaalsContact CD1-CZ 3.5Å; W1007-Y1018 AromaticContact CD2-CE1 3.94Å; W1007-Y1018 HydrophobicContact CD2-CE1 3.94Å; W1007-Y1018 HydrophobicContact CG-CD1 4.01Å; W1007-Y1018 AromaticContact CG-CE1 3.36Å; W1007-Y1018 HydrophobicContact CG-CE1 3.36Å; W1007-Y1018 AromaticContact CG-CZ 3.89Å; W1007-Y1018 AromaticContact NE1-CZ 3.75Å; W1007-Y1018 PolarHBondContact NE1-OH 3.36Å; D1016-Y1018 HydrophobicContact CB-CE2 4.19Å; Y1018-I1035 HydrophobicContact CD1-CD1 3.58Å; Y1018-I1035 HydrophobicContact CD1-CG1 4.21Å; Y1018-I1035 HydrophobicContact CD1-CG2 4.45Å; Y1018-I1035 HydrophobicContact CE1-CD1 4.03Å; Y1018-I1035 HydrophobicContact CE1-CG2 4.18Å; Y1018-I1035 HydrophobicContact CG-CD1 4.44Å; Y1018-Q1063 PolarHBondContact O-NE2 3.21Å |
| 1019 | T | 92.8 | Very high | 80.3 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 150.4 | -165.1 | -170 | 0 | 0 | 0 | 0 | 113.3 | Y1006 L1008 H1021 Y1025 | Y1006-T1019 PolarHBondContact N-O 2.8Å; Y1006-T1019 PolarHBondContact O-N 2.79Å; L1008-T1019 HydrophobicContact CD1-CG2 3.89Å; L1008-T1019 HydrophobicContact CG-CG2 4.46Å; T1019-H1021 PolarHBondContact OG1-N 3.24Å; T1019-Y1025 HydrophobicContact CG2-CD2 3.95Å; T1019-Y1025 HydrophobicContact CG2-CE2 3.7Å |
| 1020 | L | 92.1 | Very high | 80.1 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -80.5 | -20.8 | 170.1 | -49.6 | 179 | 0 | 0 | 0 | 112.3 | M1003 I1005 A1038 P1040 F1089 | M1003-L1020 HydrophobicContact CB-CB 4.04Å; M1003-L1020 HydrophobicContact CB-CD1 4.08Å; M1003-L1020 HydrophobicContact CB-CD2 3.92Å; M1003-L1020 HydrophobicContact CB-CG 4.2Å; M1003-L1020 HydrophobicContact CE-CB 4.09Å; M1003-L1020 HydrophobicContact SD-CB 4.17Å; M1003-L1020 HydrophobicContact SD-CD1 4.26Å; I1005-L1020 HydrophobicContact CB-CD2 4.48Å; I1005-L1020 HydrophobicContact CG1-CD2 3.79Å; L1020-A1038 HydrophobicContact CD2-CB 4.35Å; L1020-P1040 HydrophobicContact CD1-CB 4.13Å; L1020-F1089 HydrophobicContact CD1-CB 3.68Å; L1020-F1089 HydrophobicContact CD2-CB 4.06Å; L1020-F1089 HydrophobicContact CD2-CD1 4.49Å; L1020-F1089 HydrophobicContact CD2-CG 4.45Å; L1020-F1089 HydrophobicContact CG-CB 3.78Å |
| 1021 | H | 85.8 | Confident | 80.5 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 22% | 0.218 | 35% | 0.346 | C | S | . | . | trans | -118.7 | 71 | -171.2 | -52.2 | -66.1 | 0 | 0 | 0 | 111 | T1019 E1023 R1024 | T1019-H1021 PolarHBondContact OG1-N 3.24Å; H1021-E1023 PolarHBondContact O-N 2.87Å; H1021-R1024 HydrophobicContact CB-CG 3.92Å; H1021-R1024 PolarHBondContact CD2-NH2 3.4Å; H1021-R1024 WeakPolarHBondContact O-CB 3.33Å; H1021-R1024 PolarHBondContact O-N 3.31Å | ||
| 1022 | K | 84.3 | Confident | 81.2 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -54.3 | -26.8 | 178.2 | 63.4 | -175.7 | 171.9 | -163.1 | 0 | 113.1 | Y1006 L1008 R1024 Y1025 | Y1006-K1022 HydrophobicContact CD1-CD 3.94Å; Y1006-K1022 HydrophobicContact CD2-CB 3.88Å; Y1006-K1022 HydrophobicContact CD2-CD 3.97Å; Y1006-K1022 HydrophobicContact CD2-CG 4.03Å; Y1006-K1022 HydrophobicContact CE1-CD 3.72Å; Y1006-K1022 HydrophobicContact CE2-CB 4.39Å; Y1006-K1022 HydrophobicContact CE2-CD 3.75Å; Y1006-K1022 HydrophobicContact CE2-CG 4.03Å; Y1006-K1022 HydrophobicContact CG-CB 4.03Å; Y1006-K1022 HydrophobicContact CG-CD 4.05Å; Y1006-K1022 HydrophobicContact CG-CG 4.39Å; Y1006-K1022 VanDerWaalsContact CZ-NZ 3.33Å; Y1006-K1022 PolarHBondContact OH-NZ 3.31Å; L1008-K1022 HydrophobicContact CD1-CB 4.05Å; L1008-K1022 HydrophobicContact CD2-CB 4.33Å; K1022-R1024 PolarHBondContact O-N 3.1Å; K1022-Y1025 PolarHBondContact O-N 3.05Å; K1022-Y1025 VanDerWaalsContact O-N 3.1Å |
| 1023 | E | 79.2 | Confident | 82.3 | Confident | 137 Ų | 137 | 65 Ų | 65 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -63.9 | -21.2 | 178.9 | -62.2 | 70.4 | -154.6 | 0 | 0 | 113.2 | H1021 Y1025 | H1021-E1023 PolarHBondContact O-N 2.87Å; E1023-Y1025 PolarHBondContact O-N 3.08Å |
| 1024 | R | 75.5 | Confident | 83.7 | Confident | 172 Ų | 172 | 67.1 Ų | 67.1 | 65% | 0.649 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -71.5 | -16.2 | 174.2 | -64.9 | -175.9 | -175.7 | -177.5 | 4.2 | 112.9 | H1021 K1022 | H1021-R1024 HydrophobicContact CB-CG 3.92Å; H1021-R1024 PolarHBondContact CD2-NH2 3.4Å; H1021-R1024 WeakPolarHBondContact O-CB 3.33Å; H1021-R1024 PolarHBondContact O-N 3.31Å; K1022-R1024 PolarHBondContact O-N 3.1Å |
| 1025 | Y | 75.9 | Confident | 84.5 | Confident | 46 Ų | 46 | 67.3 Ų | 67.3 | 18% | 0.18 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -107.9 | 135 | -171.9 | -60 | -80.5 | 0 | 0 | 0 | 111.6 | L1008 I1017 T1019 K1022 E1023 Y1029 E1053 | L1008-Y1025 HydrophobicContact CD1-CD2 3.88Å; L1008-Y1025 HydrophobicContact CD1-CG 4.12Å; I1017-Y1025 HydrophobicContact CD1-CD1 4.39Å; I1017-Y1025 HydrophobicContact CD1-CE1 3.5Å; I1017-Y1025 VanDerWaalsContact CD1-CE1 3.5Å; I1017-Y1025 WeakPolarHBondContact CD1-OH 3.29Å; T1019-Y1025 HydrophobicContact CG2-CD2 3.95Å; T1019-Y1025 HydrophobicContact CG2-CE2 3.7Å; K1022-Y1025 PolarHBondContact O-N 3.05Å; K1022-Y1025 VanDerWaalsContact O-N 3.1Å; E1023-Y1025 PolarHBondContact O-N 3.08Å; Y1025-Y1029 HydrophobicContact CD1-CE1 4.42Å; Y1025-Y1029 HydrophobicContact CD1-CE2 4.2Å; Y1025-E1053 PolarHBondContact OH-OE1 3.44Å; Y1025-E1053 PolarHBondContact OH-OE2 3.31Å |
| 1026 | A | 61.9 | Low | 85.1 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | trans | -64.7 | 158.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1028 Y1029 | A1026-S1028 PolarHBondContact O-N 3.47Å; A1026-Y1029 PolarHBondContact O-N 3.33Å | ||
| 1027 | R | 62.3 | Low | 85.4 | Confident | 260 Ų | 260 | 69.4 Ų | 69.4 | 98% | 0.981 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -6.9 | 178.8 | -67.3 | -177.1 | 177.1 | 179.4 | -1.7 | 115.7 | ||
| 1028 | S | 73.8 | Confident | 85.6 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -22.4 | 171.4 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | A1026 | A1026-S1028 PolarHBondContact O-N 3.47Š|
| 1029 | Y | 84.4 | Confident | 85.4 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 120.7 | 176.3 | -78.6 | -101.7 | 0 | 0 | 0 | 110.4 | L1008 Y1009 N1010 I1017 Y1025 A1026 | L1008-Y1029 HydrophobicContact CB-CD1 3.9Å; L1008-Y1029 HydrophobicContact CB-CG 4.49Å; Y1009-Y1029 CarbonylContact O-C 3.56Å; Y1009-Y1029 WeakPolarHBondContact O-CA 3.36Å; N1010-Y1029 HydrophobicContact CB-CD1 3.73Å; N1010-Y1029 HydrophobicContact CB-CD2 4.26Å; N1010-Y1029 HydrophobicContact CB-CE1 3.48Å; N1010-Y1029 VanDerWaalsContact CB-CE1 3.48Å; N1010-Y1029 HydrophobicContact CB-CE2 4.04Å; N1010-Y1029 HydrophobicContact CB-CG 4.12Å; I1017-Y1029 HydrophobicContact CG2-CD1 3.89Å; I1017-Y1029 HydrophobicContact CG2-CE1 3.57Å; Y1025-Y1029 HydrophobicContact CD1-CE1 4.42Å; Y1025-Y1029 HydrophobicContact CD1-CE2 4.2Å; A1026-Y1029 PolarHBondContact O-N 3.33Å |
| 1030 | K | 86.6 | Confident | 85.1 | Confident | 152 Ų | 152 | 70.8 Ų | 70.8 | 66% | 0.661 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.6 | 172.4 | -70 | -178.6 | 177.6 | -179.7 | 0 | 109.3 | Y1009 K1032 | Y1009-K1030 PolarHBondContact N-O 3.27Å; Y1009-K1030 PolarHBondContact O-N 3.02Å; K1030-K1032 PolarHBondContact O-N 3.39Å |
| 1031 | N | 90.5 | Very high | 84.7 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127.6 | 171 | -173.8 | 2.1 | 0 | 0 | 0 | 110 | W1007 L1008 G1033 | W1007-N1031 PolarHBondContact O-OD1 3.44Å; L1008-N1031 HydrophobicContact CD2-CB 3.81Å; N1031-G1033 PolarHBondContact OD1-N 3.33Å; N1031-G1033 PolarHBondContact OD1-O 3.41Å |
| 1032 | K | 91.7 | Very high | 84.6 | Confident | 112 Ų | 112 | 76.2 Ų | 76.2 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -17.2 | 180 | -69.5 | -76.8 | -168.2 | 163.1 | 0 | 112.7 | W1007 K1030 | W1007-K1032 HydrophobicContact CB-CB 4.15Å; W1007-K1032 HydrophobicContact CD2-CB 3.4Å; W1007-K1032 VanDerWaalsContact CD2-CB 3.4Å; W1007-K1032 HydrophobicContact CD2-CG 3.96Å; W1007-K1032 HydrophobicContact CE3-CB 3.62Å; W1007-K1032 HydrophobicContact CE3-CG 4.46Å; W1007-K1032 HydrophobicContact CG-CB 3.66Å; W1007-K1032 HydrophobicContact CG-CG 4.24Å; W1007-K1032 HydrophobicContact CZ2-CB 4.36Å; W1007-K1032 HydrophobicContact CZ2-CD 4.44Å; W1007-K1032 HydrophobicContact CZ2-CG 4.19Å; W1007-K1032 HydrophobicContact CZ3-CB 4.2Å; W1007-K1032 WeakPolarHBondContact O-CB 3.43Å; W1007-K1032 PolarHBondContact O-N 3.39Å; K1030-K1032 PolarHBondContact O-N 3.39Å |
| 1033 | G | 92.5 | Very high | 84.4 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 31% | 0.309 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.4 | -164.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1006 W1007 N1031 | Y1006-G1033 WeakPolarHBondContact CA-O 3.44Å; W1007-G1033 PolarHBondContact N-O 3.42Å; N1031-G1033 PolarHBondContact OD1-N 3.33Å; N1031-G1033 PolarHBondContact OD1-O 3.41Å |
| 1034 | I | 93.3 | Very high | 84.5 | Confident | 80 Ų | 80 | 72.6 Ų | 72.6 | 41% | 0.41 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.8 | 172.7 | -64.8 | 163.9 | 0 | 0 | 0 | 106.8 | P1004 I1005 Y1006 G1036 Y1037 | P1004-I1034 HydrophobicContact CB-CB 4.47Å; P1004-I1034 HydrophobicContact CB-CD1 3.69Å; P1004-I1034 HydrophobicContact CB-CG1 3.96Å; P1004-I1034 HydrophobicContact CB-CG2 3.66Å; P1004-I1034 HydrophobicContact CG-CD1 4.4Å; I1005-I1034 WeakPolarHBondContact O-CA 3.3Å; Y1006-I1034 HydrophobicContact CD1-CD1 4.38Å; Y1006-I1034 HydrophobicContact CD1-CG1 3.81Å; Y1006-I1034 HydrophobicContact CE1-CD1 3.98Å; Y1006-I1034 HydrophobicContact CE1-CG1 3.93Å; I1034-G1036 WeakPolarHBondContact CG2-O 3.28Å; I1034-Y1037 HydrophobicContact CG2-CE2 4.4Å |
| 1035 | I | 94.2 | Very high | 84.8 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -10.3 | -179.1 | 59.8 | 159.6 | 0 | 0 | 0 | 113.9 | L955 L968 T970 I991 I1005 W1007 Y1018 | L955-I1035 HydrophobicContact CD1-CD1 3.76Å; L968-I1035 HydrophobicContact CB-CD1 4.36Å; T970-I1035 WeakPolarHBondContact CG2-O 3.47Å; I991-I1035 HydrophobicContact CD1-CD1 4.36Å; I991-I1035 HydrophobicContact CD1-CG1 4.4Å; I1005-I1035 HydrophobicContact CB-CG1 3.88Å; I1005-I1035 HydrophobicContact CD1-CG1 4.43Å; I1005-I1035 HydrophobicContact CG2-CD1 3.97Å; I1005-I1035 HydrophobicContact CG2-CG1 3.75Å; I1005-I1035 PolarHBondContact O-N 2.74Å; I1005-I1035 VanDerWaalsContact O-N 3.09Å; W1007-I1035 HydrophobicContact CB-CG2 4.09Å; W1007-I1035 HydrophobicContact CE3-CG2 4.28Å; Y1018-I1035 HydrophobicContact CD1-CD1 3.58Å; Y1018-I1035 HydrophobicContact CD1-CG1 4.21Å; Y1018-I1035 HydrophobicContact CD1-CG2 4.45Å; Y1018-I1035 HydrophobicContact CE1-CD1 4.03Å; Y1018-I1035 HydrophobicContact CE1-CG2 4.18Å; Y1018-I1035 HydrophobicContact CG-CD1 4.44Å |
| 1036 | G | 94.6 | Very high | 85.1 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.5 | -162.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V992 I1005 I1034 | V992-G1036 CarbonylContact O-C 3.56Å; V992-G1036 WeakPolarHBondContact O-CA 3.32Å; I1005-G1036 PolarHBondContact N-O 2.91Å; I1034-G1036 WeakPolarHBondContact CG2-O 3.28Å |
| 1037 | Y | 95.5 | Very high | 86.3 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 140.1 | -173 | -62.6 | -103.5 | 0 | 0 | 0 | 111.4 | V992 T993 P995 M1003 P1004 I1034 | V992-Y1037 PolarHBondContact N-O 3.16Å; V992-Y1037 PolarHBondContact O-N 3.41Å; T993-Y1037 WeakPolarHBondContact O-CD2 3.33Å; T993-Y1037 WeakPolarHBondContact O-CE2 3.48Å; P995-Y1037 HydrophobicContact CB-CD1 4.12Å; P995-Y1037 HydrophobicContact CB-CE1 4.12Å; P995-Y1037 HydrophobicContact CG-CD1 4.4Å; P995-Y1037 HydrophobicContact CG-CE1 3.93Å; M1003-Y1037 VanDerWaalsContact O-CA 3.29Å; M1003-Y1037 WeakPolarHBondContact O-CA 3.39Å; P1004-Y1037 HydrophobicContact CB-CD1 4.04Å; P1004-Y1037 HydrophobicContact CB-CE1 3.69Å; P1004-Y1037 HydrophobicContact CG-CE1 4.34Å; I1034-Y1037 HydrophobicContact CG2-CE2 4.4Å |
| 1038 | A | 95.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | -178.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I991 M1003 I1005 L1020 F1089 W1090 | I991-A1038 HydrophobicContact CG2-CB 4.46Å; M1003-A1038 PolarHBondContact N-O 3.33Å; M1003-A1038 PolarHBondContact O-N 3.27Å; M1003-A1038 VanDerWaalsContact O-O 3.13Å; I1005-A1038 HydrophobicContact CD1-CB 3.69Å; I1005-A1038 HydrophobicContact CG1-CB 3.82Å; L1020-A1038 HydrophobicContact CD2-CB 4.35Å; A1038-F1089 HydrophobicContact CB-CB 4.1Å; A1038-F1089 HydrophobicContact CB-CD2 3.45Å; A1038-F1089 VanDerWaalsContact CB-CD2 3.45Å; A1038-F1089 HydrophobicContact CB-CE2 4.04Å; A1038-F1089 HydrophobicContact CB-CG 3.97Å; A1038-W1090 WeakPolarHBondContact CB-O 3.29Å |
| 1039 | V | 90.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -122.9 | 152.4 | -170.3 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | L1002 S1041 I1044 A1047 W1090 W1092 | L1002-V1039 HydrophobicContact CD2-CG1 4.02Å; L1002-V1039 HydrophobicContact CG-CG1 4.49Å; V1039-S1041 PolarHBondContact O-N 3.23Å; V1039-I1044 HydrophobicContact CB-CB 4Å; V1039-I1044 HydrophobicContact CB-CG2 3.65Å; V1039-I1044 HydrophobicContact CG1-CG2 3.75Å; V1039-I1044 HydrophobicContact CG2-CB 3.81Å; V1039-I1044 HydrophobicContact CG2-CG2 3.96Å; V1039-A1047 HydrophobicContact CG2-CB 3.4Å; V1039-W1090 HydrophobicContact CG2-CB 4.04Å; V1039-W1090 PolarHBondContact N-O 3.35Å; V1039-W1090 VanDerWaalsContact N-O 3.15Å; V1039-W1090 PolarHBondContact O-N 2.9Å; V1039-W1092 HydrophobicContact CG1-CH2 3.93Å |
| 1040 | P | 88.2 | Confident | 88.9 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -78.1 | -18.9 | -169.4 | 28.9 | -35.3 | 0 | 0 | 0 | 115 | M1003 L1020 I1044 | M1003-P1040 HydrophobicContact SD-CB 4.43Å; M1003-P1040 HydrophobicContact SD-CG 4.34Å; L1020-P1040 HydrophobicContact CD1-CB 4.13Å; P1040-I1044 HydrophobicContact CG-CD1 4.07Å |
| 1041 | S | 81.8 | Confident | 89.3 | Confident | 63 Ų | 63 | 44.9 Ų | 44.9 | 44% | 0.441 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -142 | 163.6 | -173.3 | -160 | 0 | 0 | 0 | 0 | 113.3 | V1039 W1090 | V1039-S1041 PolarHBondContact O-N 3.23Å; S1041-W1090 VanDerWaalsContact CA-CD1 3.41Å |
| 1042 | E | 84.8 | Confident | 89.3 | Confident | 100 Ų | 100 | 41.1 Ų | 41.1 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 143.4 | -178.3 | -168.7 | 165.7 | -155.9 | 0 | 0 | 112.2 | I1044 W1090 | E1042-I1044 PolarHBondContact O-N 2.84Å; E1042-W1090 HydrophobicContact CB-CD2 3.91Å; E1042-W1090 HydrophobicContact CB-CE3 3.85Å; E1042-W1090 HydrophobicContact CB-CH2 3.63Å; E1042-W1090 HydrophobicContact CB-CZ2 3.7Å; E1042-W1090 HydrophobicContact CB-CZ3 3.7Å; E1042-W1090 VanDerWaalsContact CD-CZ3 3.44Å; E1042-W1090 HydrophobicContact CG-CD2 4.42Å; E1042-W1090 HydrophobicContact CG-CE3 3.84Å; E1042-W1090 HydrophobicContact CG-CH2 3.59Å; E1042-W1090 HydrophobicContact CG-CZ2 4.21Å; E1042-W1090 HydrophobicContact CG-CZ3 3.37Å; E1042-W1090 WeakPolarHBondContact OE1-CZ3 3.32Å |
| 1043 | N | 79.6 | Confident | 89.3 | Confident | 107 Ų | 107 | 36.8 Ų | 36.8 | 57% | 0.572 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62 | -2.4 | 179.6 | -59.9 | -45.2 | 0 | 0 | 0 | 116.5 | C1045 G1046 A1047 | N1043-C1045 PolarHBondContact O-N 3.07Å; N1043-C1045 VanDerWaalsContact O-N 3.09Å; N1043-G1046 PolarHBondContact O-N 3.25Å; N1043-G1046 VanDerWaalsContact O-N 3.08Å; N1043-A1047 WeakPolarHBondContact CA-O 3.41Å; N1043-A1047 PolarHBondContact N-O 3.19Å |
| 1044 | I | 80.7 | Confident | 89.1 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.138 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.5 | 119.5 | 167.9 | -68.2 | -179.8 | 0 | 0 | 0 | 108.4 | Q1001 V1039 P1040 E1042 G1046 A1047 | Q1001-I1044 HydrophobicContact CB-CG2 3.65Å; Q1001-I1044 HydrophobicContact CG-CG2 4.42Å; V1039-I1044 HydrophobicContact CB-CB 4Å; V1039-I1044 HydrophobicContact CB-CG2 3.65Å; V1039-I1044 HydrophobicContact CG1-CG2 3.75Å; V1039-I1044 HydrophobicContact CG2-CB 3.81Å; V1039-I1044 HydrophobicContact CG2-CG2 3.96Å; P1040-I1044 HydrophobicContact CG-CD1 4.07Å; E1042-I1044 PolarHBondContact O-N 2.84Å; I1044-G1046 PolarHBondContact O-N 3.13Å; I1044-A1047 WeakPolarHBondContact O-CB 3.39Å; I1044-A1047 PolarHBondContact O-N 3.49Å |
| 1045 | C | 83.4 | Confident | 88.7 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 35% | 0.345 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | 52.2 | 28.3 | -178.2 | -49.4 | 0 | 0 | 0 | 0 | 114.2 | C999 N1043 A1047 W1092 | C999-C1045 VanDerWaalsContact CA-SG 3.5Å; C999-C1045 HydrophobicContact CB-CB 3.76Å; C999-C1045 WeakPolarHBondContact CB-SG 3.36Å; C999-C1045 WeakPolarHBondContact SG-CB 3.44Å; C999-C1045 CovalentContact SG-SG 2.02Å; C999-C1045 PolarHBondContact SG-SG 3.2Å; N1043-C1045 PolarHBondContact O-N 3.07Å; N1043-C1045 VanDerWaalsContact O-N 3.09Å; C1045-A1047 VanDerWaalsContact C-N 3.35Å; C1045-W1092 HydrophobicContact CB-CZ2 3.93Å; C1045-W1092 PolarHBondContact O-NE1 2.83Å |
| 1046 | G | 81.6 | Confident | 88.1 | Confident | 42 Ų | 42 | 36.3 Ų | 36.3 | 43% | 0.433 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | 79.3 | 4.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N1043 I1044 N1048 | N1043-G1046 PolarHBondContact O-N 3.25Å; N1043-G1046 VanDerWaalsContact O-N 3.08Å; I1044-G1046 PolarHBondContact O-N 3.13Å; G1046-N1048 PolarHBondContact O-N 3.14Å |
| 1047 | A | 87.7 | Confident | 87 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -72.5 | 111.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1039 N1043 I1044 C1045 W1090 M1091 W1092 | V1039-A1047 HydrophobicContact CG2-CB 3.4Å; N1043-A1047 WeakPolarHBondContact CA-O 3.41Å; N1043-A1047 PolarHBondContact N-O 3.19Å; I1044-A1047 WeakPolarHBondContact O-CB 3.39Å; I1044-A1047 PolarHBondContact O-N 3.49Å; C1045-A1047 VanDerWaalsContact C-N 3.35Å; A1047-W1090 HydrophobicContact CB-CB 4.25Å; A1047-M1091 CarbonylContact C-O 3.53Å; A1047-M1091 WeakPolarHBondContact CA-O 3.46Å; A1047-W1092 HydrophobicContact CB-CD2 4.01Å; A1047-W1092 HydrophobicContact CB-CE3 4.31Å; A1047-W1092 HydrophobicContact CB-CH2 4.25Å; A1047-W1092 HydrophobicContact CB-CZ2 3.97Å; A1047-W1092 HydrophobicContact CB-CZ3 4.42Å | ||
| 1048 | N | 86.8 | Confident | 85.9 | Confident | 84 Ų | 84 | 40.8 Ų | 40.8 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | trans | -127.5 | 12.2 | -174 | 62 | 12.5 | 0 | 0 | 0 | 113.5 | G1046 M1091 | G1046-N1048 PolarHBondContact O-N 3.14Å; N1048-M1091 PolarHBondContact N-O 3.01Å | ||
| 1049 | H | 92.7 | Very high | 84.9 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 106.1 | 179 | -154.3 | 58.6 | 0 | 0 | 0 | 110.4 | I988 M1091 | I988-H1049 PolarHBondContact O-CD2 3.21Å; I988-H1049 VanDerWaalsContact O-CD2 3.24Å; H1049-M1091 HydrophobicContact CB-CG 4.28Å; H1049-M1091 WeakPolarHBondContact CB-O 3.43Å; H1049-M1091 PolarHBondContact N-O 3.41Å; H1049-M1091 WeakPolarHBondContact O-CG 3.18Å; H1049-M1091 PolarHBondContact O-N 2.93Å |
| 1050 | P | 93.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 141.4 | -173.6 | 29.9 | -30.4 | 0 | 0 | 0 | 112.7 | R1066 F1087 W1090 | P1050-R1066 HydrophobicContact CG-CB 4.06Å; P1050-R1066 PolarHBondContact O-N 2.8Å; P1050-F1087 HydrophobicContact CB-CD1 3.52Å; P1050-F1087 HydrophobicContact CB-CE1 3.73Å; P1050-F1087 HydrophobicContact CB-CG 4.16Å; P1050-F1087 HydrophobicContact CG-CD1 4.26Å; P1050-F1087 HydrophobicContact CG-CE1 3.95Å; P1050-W1090 HydrophobicContact CB-CD2 3.82Å; P1050-W1090 HydrophobicContact CB-CE3 3.76Å; P1050-W1090 HydrophobicContact CB-CH2 3.8Å; P1050-W1090 HydrophobicContact CB-CZ2 3.84Å; P1050-W1090 HydrophobicContact CB-CZ3 3.76Å; P1050-W1090 HydrophobicContact CG-CE3 4.15Å; P1050-W1090 HydrophobicContact CG-CH2 3.79Å; P1050-W1090 HydrophobicContact CG-CZ2 4.31Å; P1050-W1090 HydrophobicContact CG-CZ3 3.7Å |
| 1051 | L | 94.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.6 | 161.6 | -169.5 | 66.8 | 0 | 0 | 0 | 109.3 | L968 I988 Q1063 F1087 S1088 F1089 M1091 | L968-L1051 HydrophobicContact CD1-CD1 4.34Å; L968-L1051 HydrophobicContact CD1-CD2 3.81Å; I988-L1051 HydrophobicContact CD1-CD1 3.86Å; L1051-Q1063 HydrophobicContact CD1-CB 4.04Å; L1051-Q1063 HydrophobicContact CD2-CB 4.01Å; L1051-Q1063 HydrophobicContact CG-CB 4.01Å; L1051-F1087 CarbonylContact O-C 3.53Å; L1051-F1087 VanDerWaalsContact O-CA 3.29Å; L1051-F1087 WeakPolarHBondContact O-CA 3.3Å; L1051-S1088 PolarHBondContact O-N 3.02Å; L1051-F1089 HydrophobicContact CB-CD2 4.38Å; L1051-F1089 HydrophobicContact CB-CE2 4.35Å; L1051-F1089 HydrophobicContact CB-CZ 4.46Å; L1051-F1089 HydrophobicContact CD2-CD1 4.06Å; L1051-F1089 HydrophobicContact CD2-CE1 3.39Å; L1051-F1089 HydrophobicContact CD2-CE2 4.16Å; L1051-F1089 HydrophobicContact CD2-CZ 3.46Å; L1051-F1089 VanDerWaalsContact CD2-CZ 3.46Å; L1051-F1089 PolarHBondContact N-O 3.2Å; L1051-M1091 HydrophobicContact CB-CE 3.79Å; L1051-M1091 HydrophobicContact CD1-CE 4.16Å; L1051-M1091 HydrophobicContact CG-CE 4.44Å |
| 1052 | M | 92.2 | Very high | 84.4 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134 | -178.9 | -54 | -165.7 | 67.7 | 0 | 0 | 110.9 | F1054 Q1063 L1064 R1066 L1074 Y1084 F1087 | M1052-F1054 HydrophobicContact CB-CD2 4.4Å; M1052-F1054 HydrophobicContact CB-CE2 3.62Å; M1052-F1054 HydrophobicContact CB-CZ 4.19Å; M1052-F1054 HydrophobicContact CE-CZ 4.46Å; M1052-Q1063 WeakPolarHBondContact O-CA 3.28Å; M1052-L1064 WeakPolarHBondContact CA-O 3.3Å; M1052-L1064 WeakPolarHBondContact CB-O 3.23Å; M1052-L1064 PolarHBondContact N-O 3.01Å; M1052-L1064 PolarHBondContact O-N 3.47Å; M1052-R1066 HydrophobicContact SD-CB 4.29Å; M1052-R1066 HydrophobicContact SD-CG 4.37Å; M1052-L1074 HydrophobicContact CE-CD1 3.82Å; M1052-L1074 HydrophobicContact SD-CD1 4.45Å; M1052-Y1084 HydrophobicContact CB-CE2 4.15Å; M1052-Y1084 HydrophobicContact CE-CD2 4.11Å; M1052-Y1084 HydrophobicContact CE-CE2 3.35Å; M1052-F1087 HydrophobicContact CE-CE1 3.86Å; M1052-F1087 HydrophobicContact CG-CD1 3.95Å; M1052-F1087 HydrophobicContact CG-CE1 3.9Å; M1052-F1087 HydrophobicContact SD-CE1 4.27Å |
| 1053 | E | 90.5 | Very high | 84.7 | Confident | 21 Ų | 21 | 36.3 Ų | 36.3 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 129 | -178.3 | -159.5 | 168 | 131.5 | 0 | 0 | 111.5 | Y1025 T1061 Q1063 Y1084 R1085 G1086 S1088 | Y1025-E1053 PolarHBondContact OH-OE1 3.44Å; Y1025-E1053 PolarHBondContact OH-OE2 3.31Å; E1053-T1061 HydrophobicContact CG-CG2 3.54Å; E1053-Q1063 HydrophobicContact CG-CG 4.3Å; E1053-Y1084 WeakPolarHBondContact O-CD2 3.37Å; E1053-R1085 HydrophobicContact CB-CB 4.14Å; E1053-R1085 HydrophobicContact CG-CB 4.19Å; E1053-R1085 PolarHBondContact O-N 3.17Å; E1053-G1086 PolarHBondContact N-O 3.02Å; E1053-S1088 WeakPolarHBondContact CB-OG 3.46Å; E1053-S1088 PolarHBondContact OE2-OG 2.82Å |
| 1054 | F | 88.7 | Confident | 85.2 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.8 | 178.5 | -64.6 | -85.8 | 0 | 0 | 0 | 109.9 | M1052 T1061 I1062 L1064 M1073 L1074 Y1082 E1083 Y1084 | M1052-F1054 HydrophobicContact CB-CD2 4.4Å; M1052-F1054 HydrophobicContact CB-CE2 3.62Å; M1052-F1054 HydrophobicContact CB-CZ 4.19Å; M1052-F1054 HydrophobicContact CE-CZ 4.46Å; F1054-T1061 CarbonylContact O-C 3.6Å; F1054-T1061 WeakPolarHBondContact O-CA 3.44Å; F1054-I1062 PolarHBondContact N-O 3.31Å; F1054-I1062 PolarHBondContact O-N 2.6Å; F1054-L1064 HydrophobicContact CD2-CB 4.46Å; F1054-L1064 HydrophobicContact CD2-CD1 3.83Å; F1054-L1064 HydrophobicContact CD2-CG 4.27Å; F1054-L1064 HydrophobicContact CE2-CB 4.22Å; F1054-L1064 HydrophobicContact CE2-CD1 3.85Å; F1054-L1064 HydrophobicContact CE2-CG 4.4Å; F1054-M1073 HydrophobicContact CD1-CB 3.85Å; F1054-M1073 HydrophobicContact CD1-CG 4.41Å; F1054-M1073 HydrophobicContact CE1-CB 3.56Å; F1054-M1073 HydrophobicContact CE1-CG 4.47Å; F1054-M1073 HydrophobicContact CE2-CB 4.34Å; F1054-M1073 HydrophobicContact CG-CB 4.36Å; F1054-M1073 HydrophobicContact CG-CG 4.46Å; F1054-M1073 HydrophobicContact CZ-CB 3.83Å; F1054-L1074 HydrophobicContact CE1-CD2 3.85Å; F1054-L1074 HydrophobicContact CE1-CG 3.92Å; F1054-L1074 HydrophobicContact CZ-CD1 4.46Å; F1054-L1074 HydrophobicContact CZ-CD2 4.2Å; F1054-L1074 HydrophobicContact CZ-CG 3.94Å; F1054-Y1082 HydrophobicContact CB-CD1 4.17Å; F1054-Y1082 HydrophobicContact CB-CG 4.49Å; F1054-E1083 CarbonylContact C-O 3.49Å; F1054-E1083 WeakPolarHBondContact CA-O 3.07Å; F1054-Y1084 HydrophobicContact CD1-CD2 4.28Å; F1054-Y1084 AromaticContact CE1-CD2 3.88Å; F1054-Y1084 HydrophobicContact CE1-CD2 3.88Å; F1054-Y1084 HydrophobicContact CE1-CG 4.39Å; F1054-Y1084 HydrophobicContact CZ-CD2 4.1Å |
| 1055 | Y | 85.2 | Confident | 85.7 | Confident | 46 Ų | 46 | 31.9 Ų | 31.9 | 18% | 0.18 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.3 | -177.6 | 175 | -97.3 | 0 | 0 | 0 | 111.9 | P1057 G1060 E1083 | Y1055-P1057 HydrophobicContact CE1-CG 3.91Å; Y1055-G1060 WeakPolarHBondContact CA-O 3.41Å; Y1055-E1083 PolarHBondContact N-O 3.11Å; Y1055-E1083 PolarHBondContact O-N 3.31Å |
| 1056 | R | 81.1 | Confident | 85.8 | Confident | 79 Ų | 79 | 34.9 Ų | 34.9 | 30% | 0.298 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.9 | 173 | 178.2 | 164.2 | 170.7 | -166.6 | -7 | 110.8 | G1058 I1059 G1060 Y1079 K1081 Y1082 | R1056-G1058 PolarHBondContact O-N 3.46Å; R1056-I1059 HydrophobicContact CB-CB 4.44Å; R1056-I1059 HydrophobicContact CG-CB 4.45Å; R1056-I1059 HydrophobicContact CG-CD1 4.41Å; R1056-I1059 HydrophobicContact CG-CG1 4.33Å; R1056-I1059 PolarHBondContact O-N 2.88Å; R1056-G1060 PolarHBondContact N-O 3.08Å; R1056-G1060 PolarHBondContact O-N 2.98Å; R1056-Y1079 PolarHBondContact NH1-O 2.94Å; R1056-K1081 WeakPolarHBondContact CD-O 3.35Å; R1056-K1081 WeakPolarHBondContact CG-O 3.21Å; R1056-Y1082 HydrophobicContact CB-CD1 3.4Å; R1056-Y1082 HydrophobicContact CB-CD2 4.28Å; R1056-Y1082 HydrophobicContact CB-CE1 3.43Å; R1056-Y1082 VanDerWaalsContact CB-CE1 3.43Å; R1056-Y1082 HydrophobicContact CB-CE2 4.34Å; R1056-Y1082 HydrophobicContact CB-CG 3.83Å |
| 1057 | P | 72.2 | Confident | 86 | Confident | 65 Ų | 65 | 34.3 Ų | 34.3 | 42% | 0.422 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 125.3 | 175 | -26.4 | 33 | 0 | 0 | 0 | 112.3 | Y1055 I1059 | Y1055-P1057 HydrophobicContact CE1-CG 3.91Å; P1057-I1059 VanDerWaalsContact C-N 3.34Å; P1057-I1059 PolarHBondContact O-N 3.48Å |
| 1058 | G | 71.3 | Confident | 85.8 | Confident | 83 Ų | 83 | 41.9 Ų | 41.9 | 86% | 0.856 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -5.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R1056 | R1056-G1058 PolarHBondContact O-N 3.46Š|
| 1059 | I | 74.8 | Confident | 85.6 | Confident | 66 Ų | 66 | 40.2 Ų | 40.2 | 34% | 0.338 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -23.7 | 167.3 | -48.4 | -173.6 | 0 | 0 | 0 | 111 | T1015 R1056 P1057 Y1082 | T1015-I1059 WeakPolarHBondContact CG2-O 3.45Å; R1056-I1059 HydrophobicContact CB-CB 4.44Å; R1056-I1059 HydrophobicContact CG-CB 4.45Å; R1056-I1059 HydrophobicContact CG-CD1 4.41Å; R1056-I1059 HydrophobicContact CG-CG1 4.33Å; R1056-I1059 PolarHBondContact O-N 2.88Å; P1057-I1059 VanDerWaalsContact C-N 3.34Å; P1057-I1059 PolarHBondContact O-N 3.48Å; I1059-Y1082 WeakPolarHBondContact CG2-OH 3.26Å |
| 1060 | G | 78.6 | Confident | 85.4 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.1 | -148.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1055 R1056 | Y1055-G1060 WeakPolarHBondContact CA-O 3.41Å; R1056-G1060 PolarHBondContact N-O 3.08Å; R1056-G1060 PolarHBondContact O-N 2.98Å |
| 1061 | T | 84.6 | Confident | 84.9 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.7 | -172.9 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | I1017 E1053 F1054 Q1063 | I1017-T1061 HydrophobicContact CD1-CG2 3.79Å; I1017-T1061 HydrophobicContact CG1-CG2 4.27Å; E1053-T1061 HydrophobicContact CG-CG2 3.54Å; F1054-T1061 CarbonylContact O-C 3.6Å; F1054-T1061 WeakPolarHBondContact O-CA 3.44Å; T1061-Q1063 HydrophobicContact CG2-CG 4.07Å |
| 1062 | I | 87.1 | Confident | 84.3 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.082 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.2 | 165.2 | -72.1 | -171 | 0 | 0 | 0 | 107.4 | F1054 L1064 M1073 Y1082 | F1054-I1062 PolarHBondContact N-O 3.31Å; F1054-I1062 PolarHBondContact O-N 2.6Å; I1062-L1064 HydrophobicContact CG2-CD1 4.01Å; I1062-L1064 HydrophobicContact CG2-CD2 3.81Å; I1062-L1064 HydrophobicContact CG2-CG 3.72Å; I1062-M1073 HydrophobicContact CD1-CE 4.28Å; I1062-M1073 HydrophobicContact CG2-CE 4.39Å; I1062-Y1082 HydrophobicContact CB-CE1 4.29Å; I1062-Y1082 HydrophobicContact CD1-CE1 3.9Å; I1062-Y1082 HydrophobicContact CD1-CE2 4.47Å; I1062-Y1082 VanDerWaalsContact CD1-OH 3.28Å; I1062-Y1082 WeakPolarHBondContact CD1-OH 3.42Å; I1062-Y1082 HydrophobicContact CG1-CE1 3.96Å |
| 1063 | Q | 91 | Very high | 83.8 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.7 | 177.4 | -66.3 | 178.3 | -79.4 | 0 | 0 | 109.6 | Y1018 L1051 M1052 E1053 T1061 S1088 | Y1018-Q1063 PolarHBondContact O-NE2 3.21Å; L1051-Q1063 HydrophobicContact CD1-CB 4.04Å; L1051-Q1063 HydrophobicContact CD2-CB 4.01Å; L1051-Q1063 HydrophobicContact CG-CB 4.01Å; M1052-Q1063 WeakPolarHBondContact O-CA 3.28Å; E1053-Q1063 HydrophobicContact CG-CG 4.3Å; T1061-Q1063 HydrophobicContact CG2-CG 4.07Å; Q1063-S1088 PolarHBondContact NE2-OG 3.15Å |
| 1064 | L | 90.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134.3 | -170.1 | -58.8 | 169.6 | 0 | 0 | 0 | 109.4 | M1052 F1054 I1062 D1069 M1073 | M1052-L1064 WeakPolarHBondContact CA-O 3.3Å; M1052-L1064 WeakPolarHBondContact CB-O 3.23Å; M1052-L1064 PolarHBondContact N-O 3.01Å; M1052-L1064 PolarHBondContact O-N 3.47Å; F1054-L1064 HydrophobicContact CD2-CB 4.46Å; F1054-L1064 HydrophobicContact CD2-CD1 3.83Å; F1054-L1064 HydrophobicContact CD2-CG 4.27Å; F1054-L1064 HydrophobicContact CE2-CB 4.22Å; F1054-L1064 HydrophobicContact CE2-CD1 3.85Å; F1054-L1064 HydrophobicContact CE2-CG 4.4Å; I1062-L1064 HydrophobicContact CG2-CD1 4.01Å; I1062-L1064 HydrophobicContact CG2-CD2 3.81Å; I1062-L1064 HydrophobicContact CG2-CG 3.72Å; L1064-D1069 HydrophobicContact CD1-CB 4.02Å; L1064-D1069 HydrophobicContact CD2-CB 4.04Å; L1064-M1073 HydrophobicContact CD1-CE 4.33Å; L1064-M1073 HydrophobicContact CD1-CG 3.7Å |
| 1065 | Q | 91.3 | Very high | 82.7 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 157 | 165.6 | 79.8 | -67.9 | 6.4 | 0 | 0 | 110.5 | I988 G1067 S1070 | I988-Q1065 HydrophobicContact CB-CB 3.96Å; I988-Q1065 HydrophobicContact CB-CG 3.87Å; I988-Q1065 VanDerWaalsContact CG2-CD 3.49Å; I988-Q1065 HydrophobicContact CG2-CG 4.3Å; I988-Q1065 VanDerWaalsContact CG2-OE1 3.25Å; I988-Q1065 WeakPolarHBondContact O-CB 3.42Å; Q1065-G1067 PolarHBondContact O-N 3.04Å; Q1065-S1070 PolarHBondContact O-OG 2.81Å |
| 1066 | R | 85.4 | Confident | 81.5 | Confident | 114 Ų | 114 | 54.5 Ų | 54.5 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 109 | 179.8 | -171.9 | 173.5 | 178.6 | -162.8 | -6.9 | 111.4 | N867 P1050 M1052 S1070 | N867-R1066 PolarHBondContact OD1-NH1 3.42Å; N867-R1066 PolarHBondContact OD1-NH2 3.43Å; P1050-R1066 HydrophobicContact CG-CB 4.06Å; P1050-R1066 PolarHBondContact O-N 2.8Å; M1052-R1066 HydrophobicContact SD-CB 4.29Å; M1052-R1066 HydrophobicContact SD-CG 4.37Å; R1066-S1070 WeakPolarHBondContact CA-OG 3.49Å |
| 1067 | G | 85.2 | Confident | 80.3 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -174.2 | -161.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1065 D1069 S1070 D1071 | Q1065-G1067 PolarHBondContact O-N 3.04Å; G1067-D1069 PolarHBondContact O-N 2.95Å; G1067-S1070 PolarHBondContact N-OG 3.36Å; G1067-S1070 PolarHBondContact O-N 3.48Å; G1067-S1070 PolarHBondContact O-OG 3Å; G1067-D1071 WeakPolarHBondContact O-CB 3.11Å; G1067-D1071 PolarHBondContact O-N 3.44Å |
| 1068 | E | 83.5 | Confident | 79.7 | Confident | 158 Ų | 158 | 58.1 Ų | 58.1 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.1 | -43.5 | -174.3 | -160.5 | -157.6 | 149.3 | 0 | 0 | 112.9 | S1070 D1071 A1072 | E1068-S1070 PolarHBondContact O-N 3.19Å; E1068-D1071 PolarHBondContact O-N 3.43Å; E1068-A1072 VanDerWaalsContact O-CB 3.26Å; E1068-A1072 WeakPolarHBondContact O-CB 3.32Å; E1068-A1072 PolarHBondContact O-N 3.26Å |
| 1069 | D | 83.9 | Confident | 79.3 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 178.2 | -87.3 | -29.2 | 0 | 0 | 0 | 112.6 | R957 L1064 G1067 A1072 M1073 | R957-D1069 IonicContact CZ-OD2 2.85Å; R957-D1069 VanDerWaalsContact CZ-OD2 3.22Å; R957-D1069 IonicContact NH1-OD2 2.74Å; R957-D1069 PolarHBondContact NH1-OD2 3.17Å; R957-D1069 IonicContact NH2-OD2 3.92Å; R957-D1069 PolarHBondContact NH2-OD2 2.84Å; L1064-D1069 HydrophobicContact CD1-CB 4.02Å; L1064-D1069 HydrophobicContact CD2-CB 4.04Å; G1067-D1069 PolarHBondContact O-N 2.95Å; D1069-A1072 PolarHBondContact O-N 3.48Å; D1069-M1073 VanDerWaalsContact O-CG 3.3Å; D1069-M1073 WeakPolarHBondContact O-CG 3.49Å; D1069-M1073 PolarHBondContact O-N 2.97Å |
| 1070 | S | 86.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 179 | 64 | 0 | 0 | 0 | 0 | 111.2 | Q1065 R1066 G1067 E1068 A1072 M1073 L1074 | Q1065-S1070 PolarHBondContact O-OG 2.81Å; R1066-S1070 WeakPolarHBondContact CA-OG 3.49Å; G1067-S1070 PolarHBondContact N-OG 3.36Å; G1067-S1070 PolarHBondContact O-N 3.48Å; G1067-S1070 PolarHBondContact O-OG 3Å; E1068-S1070 PolarHBondContact O-N 3.19Å; S1070-A1072 VanDerWaalsContact C-N 3.35Å; S1070-M1073 WeakPolarHBondContact O-CB 3.09Å; S1070-M1073 PolarHBondContact O-N 3.37Å; S1070-L1074 WeakPolarHBondContact O-CB 3.21Å; S1070-L1074 VanDerWaalsContact O-CG 3.24Å; S1070-L1074 WeakPolarHBondContact O-CG 3.26Å; S1070-L1074 PolarHBondContact O-N 3.46Å |
| 1071 | D | 83.7 | Confident | 78.3 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.2 | -33.6 | 179.7 | -83.1 | 29.8 | 0 | 0 | 0 | 111.4 | G1067 E1068 L1074 R1075 | G1067-D1071 WeakPolarHBondContact O-CB 3.11Å; G1067-D1071 PolarHBondContact O-N 3.44Å; E1068-D1071 PolarHBondContact O-N 3.43Å; D1071-L1074 PolarHBondContact O-N 2.83Å; D1071-R1075 WeakPolarHBondContact O-CB 3.42Å; D1071-R1075 WeakPolarHBondContact O-CD 3.33Å; D1071-R1075 WeakPolarHBondContact O-CG 3.42Å; D1071-R1075 PolarHBondContact O-N 2.83Å; D1071-R1075 IonicContact OD2-CZ 3.76Å; D1071-R1075 IonicContact OD2-NE 2.84Å; D1071-R1075 IonicContact OD2-NH2 2.98Å; D1071-R1075 PolarHBondContact OD2-NH2 3.47Å |
| 1072 | A | 82.1 | Confident | 78.1 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.6 | -42.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1068 D1069 S1070 L1074 T1076 Y1079 | E1068-A1072 VanDerWaalsContact O-CB 3.26Å; E1068-A1072 WeakPolarHBondContact O-CB 3.32Å; E1068-A1072 PolarHBondContact O-N 3.26Å; D1069-A1072 PolarHBondContact O-N 3.48Å; S1070-A1072 VanDerWaalsContact C-N 3.35Å; A1072-L1074 VanDerWaalsContact C-N 3.32Å; A1072-L1074 PolarHBondContact O-N 3.1Å; A1072-T1076 WeakPolarHBondContact O-CB 3.3Å; A1072-T1076 PolarHBondContact O-N 2.75Å; A1072-T1076 PolarHBondContact O-OG1 3.48Å; A1072-Y1079 HydrophobicContact CB-CE2 3.75Å |
| 1073 | M | 82.7 | Confident | 77.9 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 172.8 | -73.5 | -76 | -175.2 | 0 | 0 | 112.6 | F1054 I1062 L1064 D1069 S1070 Y1079 Y1082 | F1054-M1073 HydrophobicContact CD1-CB 3.85Å; F1054-M1073 HydrophobicContact CD1-CG 4.41Å; F1054-M1073 HydrophobicContact CE1-CB 3.56Å; F1054-M1073 HydrophobicContact CE1-CG 4.47Å; F1054-M1073 HydrophobicContact CE2-CB 4.34Å; F1054-M1073 HydrophobicContact CG-CB 4.36Å; F1054-M1073 HydrophobicContact CG-CG 4.46Å; F1054-M1073 HydrophobicContact CZ-CB 3.83Å; I1062-M1073 HydrophobicContact CD1-CE 4.28Å; I1062-M1073 HydrophobicContact CG2-CE 4.39Å; L1064-M1073 HydrophobicContact CD1-CE 4.33Å; L1064-M1073 HydrophobicContact CD1-CG 3.7Å; D1069-M1073 VanDerWaalsContact O-CG 3.3Å; D1069-M1073 WeakPolarHBondContact O-CG 3.49Å; D1069-M1073 PolarHBondContact O-N 2.97Å; S1070-M1073 WeakPolarHBondContact O-CB 3.09Å; S1070-M1073 PolarHBondContact O-N 3.37Å; M1073-Y1079 HydrophobicContact CE-CD2 3.62Å; M1073-Y1079 HydrophobicContact CE-CG 3.88Å; M1073-Y1079 HydrophobicContact CG-CD2 3.91Å; M1073-Y1079 HydrophobicContact SD-CD2 3.67Å; M1073-Y1079 HydrophobicContact SD-CG 4.13Å; M1073-Y1082 HydrophobicContact CE-CD2 4Å; M1073-Y1082 HydrophobicContact CE-CE2 4.04Å; M1073-Y1082 HydrophobicContact CE-CG 4.45Å; M1073-Y1082 HydrophobicContact SD-CD2 3.65Å; M1073-Y1082 HydrophobicContact SD-CE2 4.3Å; M1073-Y1082 HydrophobicContact SD-CG 3.93Å |
| 1074 | L | 80.7 | Confident | 77.7 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.2 | -38.7 | -179.5 | -70.8 | 166.1 | 0 | 0 | 0 | 113.4 | M1052 F1054 S1070 D1071 A1072 Y1084 | M1052-L1074 HydrophobicContact CE-CD1 3.82Å; M1052-L1074 HydrophobicContact SD-CD1 4.45Å; F1054-L1074 HydrophobicContact CE1-CD2 3.85Å; F1054-L1074 HydrophobicContact CE1-CG 3.92Å; F1054-L1074 HydrophobicContact CZ-CD1 4.46Å; F1054-L1074 HydrophobicContact CZ-CD2 4.2Å; F1054-L1074 HydrophobicContact CZ-CG 3.94Å; S1070-L1074 WeakPolarHBondContact O-CB 3.21Å; S1070-L1074 VanDerWaalsContact O-CG 3.24Å; S1070-L1074 WeakPolarHBondContact O-CG 3.26Å; S1070-L1074 PolarHBondContact O-N 3.46Å; D1071-L1074 PolarHBondContact O-N 2.83Å; A1072-L1074 VanDerWaalsContact C-N 3.32Å; A1072-L1074 PolarHBondContact O-N 3.1Å; L1074-Y1084 HydrophobicContact CD2-CD1 4.45Å; L1074-Y1084 HydrophobicContact CD2-CD2 4.34Å; L1074-Y1084 HydrophobicContact CD2-CG 4.04Å |
| 1075 | R | 74.3 | Confident | 77.3 | Confident | 191 Ų | 191 | 75.9 Ų | 75.9 | 72% | 0.721 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -91.7 | -20.1 | -172.9 | -61.9 | 170.7 | -162.2 | -153.8 | 13.7 | 113.9 | D1071 | D1071-R1075 WeakPolarHBondContact O-CB 3.42Å; D1071-R1075 WeakPolarHBondContact O-CD 3.33Å; D1071-R1075 WeakPolarHBondContact O-CG 3.42Å; D1071-R1075 PolarHBondContact O-N 2.83Å; D1071-R1075 IonicContact OD2-CZ 3.76Å; D1071-R1075 IonicContact OD2-NE 2.84Å; D1071-R1075 IonicContact OD2-NH2 2.98Å; D1071-R1075 PolarHBondContact OD2-NH2 3.47Å |
| 1076 | T | 60.8 | Low | 77 | Confident | 63 Ų | 63 | 75 Ų | 75 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | trans | -140.1 | 149.4 | -166.5 | 76.7 | 0 | 0 | 0 | 0 | 113.3 | A1072 K1078 | A1072-T1076 WeakPolarHBondContact O-CB 3.3Å; A1072-T1076 PolarHBondContact O-N 2.75Å; A1072-T1076 PolarHBondContact O-OG1 3.48Å; T1076-K1078 PolarHBondContact O-N 3.42Å; T1076-K1078 WeakPolarHBondContact OG1-CB 3.36Å; T1076-K1078 PolarHBondContact OG1-N 3.44Å | ||
| 1077 | A | 56 | Low | 77.2 | Confident | 85 Ų | 85 | 74 Ų | 74 | 70% | 0.702 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -77.5 | 15.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y1079 G1080 | A1077-Y1079 PolarHBondContact O-N 2.83Å; A1077-G1080 WeakPolarHBondContact O-CA 3.46Å; A1077-G1080 PolarHBondContact O-N 2.83Å |
| 1078 | K | 59.6 | Low | 77.4 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 58% | 0.583 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -55 | -37.5 | -173.6 | -177.4 | -174.7 | 179.3 | -164.8 | 0 | 112.6 | T1076 | T1076-K1078 PolarHBondContact O-N 3.42Å; T1076-K1078 WeakPolarHBondContact OG1-CB 3.36Å; T1076-K1078 PolarHBondContact OG1-N 3.44Å |
| 1079 | Y | 63.3 | Low | 77.9 | Confident | 72 Ų | 72 | 65.4 Ų | 65.4 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -101.7 | 13.7 | 178.1 | -52.6 | -51.8 | 0 | 0 | 0 | 112.9 | R1056 A1072 M1073 A1077 Y1082 | R1056-Y1079 PolarHBondContact NH1-O 2.94Å; A1072-Y1079 HydrophobicContact CB-CE2 3.75Å; M1073-Y1079 HydrophobicContact CE-CD2 3.62Å; M1073-Y1079 HydrophobicContact CE-CG 3.88Å; M1073-Y1079 HydrophobicContact CG-CD2 3.91Å; M1073-Y1079 HydrophobicContact SD-CD2 3.67Å; M1073-Y1079 HydrophobicContact SD-CG 4.13Å; A1077-Y1079 PolarHBondContact O-N 2.83Å; Y1079-Y1082 WeakPolarHBondContact O-CD2 3.43Å; Y1079-Y1082 VanDerWaalsContact O-CE2 3.27Å; Y1079-Y1082 WeakPolarHBondContact O-CE2 3.49Å |
| 1080 | G | 62.4 | Low | 78.4 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 27% | 0.268 | 31% | 0.31 | S | S | . | . | trans | 76.1 | -173.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1077 Y1082 | A1077-G1080 WeakPolarHBondContact O-CA 3.46Å; A1077-G1080 PolarHBondContact O-N 2.83Å; G1080-Y1082 PolarHBondContact O-N 3.29Å | ||
| 1081 | K | 70 | Confident | 78.8 | Confident | 190 Ų | 190 | 63.9 Ų | 63.9 | 83% | 0.826 | 31% | 0.31 | S | S | * | . | trans | -75 | 82.8 | -178.3 | -65 | -171.4 | 178.1 | -172 | 0 | 111.8 | R1056 | R1056-K1081 WeakPolarHBondContact CD-O 3.35Å; R1056-K1081 WeakPolarHBondContact CG-O 3.21Å | ||
| 1082 | Y | 80.7 | Confident | 79.3 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 14% | 0.137 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 135.8 | 156.1 | -76.5 | -92.5 | 0 | 0 | 0 | 109.1 | F1054 R1056 I1059 I1062 M1073 Y1079 G1080 | F1054-Y1082 HydrophobicContact CB-CD1 4.17Å; F1054-Y1082 HydrophobicContact CB-CG 4.49Å; R1056-Y1082 HydrophobicContact CB-CD1 3.4Å; R1056-Y1082 HydrophobicContact CB-CD2 4.28Å; R1056-Y1082 HydrophobicContact CB-CE1 3.43Å; R1056-Y1082 VanDerWaalsContact CB-CE1 3.43Å; R1056-Y1082 HydrophobicContact CB-CE2 4.34Å; R1056-Y1082 HydrophobicContact CB-CG 3.83Å; I1059-Y1082 WeakPolarHBondContact CG2-OH 3.26Å; I1062-Y1082 HydrophobicContact CB-CE1 4.29Å; I1062-Y1082 HydrophobicContact CD1-CE1 3.9Å; I1062-Y1082 HydrophobicContact CD1-CE2 4.47Å; I1062-Y1082 VanDerWaalsContact CD1-OH 3.28Å; I1062-Y1082 WeakPolarHBondContact CD1-OH 3.42Å; I1062-Y1082 HydrophobicContact CG1-CE1 3.96Å; M1073-Y1082 HydrophobicContact CE-CD2 4Å; M1073-Y1082 HydrophobicContact CE-CE2 4.04Å; M1073-Y1082 HydrophobicContact CE-CG 4.45Å; M1073-Y1082 HydrophobicContact SD-CD2 3.65Å; M1073-Y1082 HydrophobicContact SD-CE2 4.3Å; M1073-Y1082 HydrophobicContact SD-CG 3.93Å; Y1079-Y1082 WeakPolarHBondContact O-CD2 3.43Å; Y1079-Y1082 VanDerWaalsContact O-CE2 3.27Å; Y1079-Y1082 WeakPolarHBondContact O-CE2 3.49Å; G1080-Y1082 PolarHBondContact O-N 3.29Å |
| 1083 | E | 81.9 | Confident | 79.6 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.5 | 169.1 | -65 | 155.3 | -141.1 | 0 | 0 | 108.8 | F1054 Y1055 R1085 | F1054-E1083 CarbonylContact C-O 3.49Å; F1054-E1083 WeakPolarHBondContact CA-O 3.07Å; Y1055-E1083 PolarHBondContact N-O 3.11Å; Y1055-E1083 PolarHBondContact O-N 3.31Å; E1083-R1085 PolarHBondContact O-N 3.13Å; E1083-R1085 IonicContact OE2-CZ 2.76Å; E1083-R1085 VanDerWaalsContact OE2-CZ 3.26Å; E1083-R1085 IonicContact OE2-NE 3.6Å; E1083-R1085 PolarHBondContact OE2-NE 2.93Å; E1083-R1085 IonicContact OE2-NH2 2.73Å; E1083-R1085 PolarHBondContact OE2-NH2 3.2Å |
| 1084 | Y | 86.5 | Confident | 79.7 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 37% | 0.373 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.8 | 166.2 | 175.7 | -121.4 | 0 | 0 | 0 | 109.6 | M1052 E1053 F1054 L1074 G1086 F1087 | M1052-Y1084 HydrophobicContact CB-CE2 4.15Å; M1052-Y1084 HydrophobicContact CE-CD2 4.11Å; M1052-Y1084 HydrophobicContact CE-CE2 3.35Å; E1053-Y1084 WeakPolarHBondContact O-CD2 3.37Å; F1054-Y1084 HydrophobicContact CD1-CD2 4.28Å; F1054-Y1084 AromaticContact CE1-CD2 3.88Å; F1054-Y1084 HydrophobicContact CE1-CD2 3.88Å; F1054-Y1084 HydrophobicContact CE1-CG 4.39Å; F1054-Y1084 HydrophobicContact CZ-CD2 4.1Å; L1074-Y1084 HydrophobicContact CD2-CD1 4.45Å; L1074-Y1084 HydrophobicContact CD2-CD2 4.34Å; L1074-Y1084 HydrophobicContact CD2-CG 4.04Å; Y1084-G1086 WeakPolarHBondContact CE2-O 3.19Å; Y1084-G1086 VanDerWaalsContact CZ-CA 3.45Å; Y1084-G1086 WeakPolarHBondContact OH-CA 3.46Å; Y1084-F1087 WeakPolarHBondContact OH-CD1 3.25Å; Y1084-F1087 VanDerWaalsContact OH-CE1 3.27Å; Y1084-F1087 WeakPolarHBondContact OH-CE1 3.38Å; Y1084-F1087 WeakPolarHBondContact OH-CZ 3.39Å |
| 1085 | R | 82.8 | Confident | 79.6 | Confident | 95 Ų | 95 | 71.4 Ų | 71.4 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | -0.6 | -176 | -68.8 | -58.6 | -171.2 | 107.8 | -11.4 | 114.2 | E2 E1053 E1083 | E2-R1085 IonicContact OE2-CZ 3.52Å; E2-R1085 IonicContact OE2-NH1 2.66Å; E2-R1085 PolarHBondContact OE2-NH1 2.84Å; E2-R1085 IonicContact OE2-NH2 2.7Å; E2-R1085 PolarHBondContact OE2-NH2 3.32Å; E1053-R1085 HydrophobicContact CB-CB 4.14Å; E1053-R1085 HydrophobicContact CG-CB 4.19Å; E1053-R1085 PolarHBondContact O-N 3.17Å; E1083-R1085 PolarHBondContact O-N 3.13Å; E1083-R1085 IonicContact OE2-CZ 2.76Å; E1083-R1085 VanDerWaalsContact OE2-CZ 3.26Å; E1083-R1085 IonicContact OE2-NE 3.6Å; E1083-R1085 PolarHBondContact OE2-NE 2.93Å; E1083-R1085 IonicContact OE2-NH2 2.73Å; E1083-R1085 PolarHBondContact OE2-NH2 3.2Å |
| 1086 | G | 85.7 | Confident | 79.9 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.2 | -160.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | E1053 Y1084 | E1053-G1086 PolarHBondContact N-O 3.02Å; Y1084-G1086 WeakPolarHBondContact CE2-O 3.19Å; Y1084-G1086 VanDerWaalsContact CZ-CA 3.45Å; Y1084-G1086 WeakPolarHBondContact OH-CA 3.46Å |
| 1087 | F | 89.3 | Confident | 81 | Confident | 93 Ų | 93 | 65.2 Ų | 65.2 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.2 | 172.1 | -53.5 | -61.1 | 0 | 0 | 0 | 110.1 | P1050 L1051 M1052 Y1084 W1090 | P1050-F1087 HydrophobicContact CB-CD1 3.52Å; P1050-F1087 HydrophobicContact CB-CE1 3.73Å; P1050-F1087 HydrophobicContact CB-CG 4.16Å; P1050-F1087 HydrophobicContact CG-CD1 4.26Å; P1050-F1087 HydrophobicContact CG-CE1 3.95Å; L1051-F1087 CarbonylContact O-C 3.53Å; L1051-F1087 VanDerWaalsContact O-CA 3.29Å; L1051-F1087 WeakPolarHBondContact O-CA 3.3Å; M1052-F1087 HydrophobicContact CE-CE1 3.86Å; M1052-F1087 HydrophobicContact CG-CD1 3.95Å; M1052-F1087 HydrophobicContact CG-CE1 3.9Å; M1052-F1087 HydrophobicContact SD-CE1 4.27Å; Y1084-F1087 WeakPolarHBondContact OH-CD1 3.25Å; Y1084-F1087 VanDerWaalsContact OH-CE1 3.27Å; Y1084-F1087 WeakPolarHBondContact OH-CE1 3.38Å; Y1084-F1087 WeakPolarHBondContact OH-CZ 3.39Å; F1087-W1090 AromaticContact CD2-CZ2 3.85Å; F1087-W1090 HydrophobicContact CD2-CZ2 3.85Å; F1087-W1090 AromaticContact CE2-CZ2 3.76Å; F1087-W1090 HydrophobicContact CE2-CZ2 3.76Å; F1087-W1090 HydrophobicContact CG-CZ2 4.29Å; F1087-W1090 HydrophobicContact CZ-CZ2 4.12Å |
| 1088 | S | 89.2 | Confident | 82.4 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -33.1 | 177.6 | -45.6 | 0 | 0 | 0 | 0 | 112.4 | L1051 E1053 Q1063 | L1051-S1088 PolarHBondContact O-N 3.02Å; E1053-S1088 WeakPolarHBondContact CB-OG 3.46Å; E1053-S1088 PolarHBondContact OE2-OG 2.82Å; Q1063-S1088 PolarHBondContact NE2-OG 3.15Å |
| 1089 | F | 94.6 | Very high | 83.9 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 167.4 | 168.6 | 51.8 | -93.4 | 0 | 0 | 0 | 111.4 | L955 I991 I1005 L1020 A1038 L1051 M1091 | L955-F1089 HydrophobicContact CD2-CE2 4.22Å; L955-F1089 HydrophobicContact CD2-CZ 4.08Å; I991-F1089 HydrophobicContact CG2-CE2 4.25Å; I1005-F1089 HydrophobicContact CB-CE1 4.42Å; I1005-F1089 HydrophobicContact CD1-CD2 4.35Å; I1005-F1089 HydrophobicContact CD1-CE1 4.24Å; I1005-F1089 HydrophobicContact CD1-CE2 3.78Å; I1005-F1089 HydrophobicContact CD1-CZ 3.71Å; I1005-F1089 HydrophobicContact CG1-CD1 4.26Å; I1005-F1089 HydrophobicContact CG1-CE1 4.03Å; I1005-F1089 HydrophobicContact CG1-CE2 4.28Å; I1005-F1089 HydrophobicContact CG1-CG 4.5Å; I1005-F1089 HydrophobicContact CG1-CZ 4.02Å; I1005-F1089 HydrophobicContact CG2-CD1 4.23Å; I1005-F1089 HydrophobicContact CG2-CE1 3.49Å; I1005-F1089 VanDerWaalsContact CG2-CE1 3.49Å; I1005-F1089 HydrophobicContact CG2-CZ 3.87Å; L1020-F1089 HydrophobicContact CD1-CB 3.68Å; L1020-F1089 HydrophobicContact CD2-CB 4.06Å; L1020-F1089 HydrophobicContact CD2-CD1 4.49Å; L1020-F1089 HydrophobicContact CD2-CG 4.45Å; L1020-F1089 HydrophobicContact CG-CB 3.78Å; A1038-F1089 HydrophobicContact CB-CB 4.1Å; A1038-F1089 HydrophobicContact CB-CD2 3.45Å; A1038-F1089 VanDerWaalsContact CB-CD2 3.45Å; A1038-F1089 HydrophobicContact CB-CE2 4.04Å; A1038-F1089 HydrophobicContact CB-CG 3.97Å; L1051-F1089 HydrophobicContact CB-CD2 4.38Å; L1051-F1089 HydrophobicContact CB-CE2 4.35Å; L1051-F1089 HydrophobicContact CB-CZ 4.46Å; L1051-F1089 HydrophobicContact CD2-CD1 4.06Å; L1051-F1089 HydrophobicContact CD2-CE1 3.39Å; L1051-F1089 HydrophobicContact CD2-CE2 4.16Å; L1051-F1089 HydrophobicContact CD2-CZ 3.46Å; L1051-F1089 VanDerWaalsContact CD2-CZ 3.46Å; L1051-F1089 PolarHBondContact N-O 3.2Å; F1089-M1091 HydrophobicContact CD2-CB 4.38Å; F1089-M1091 HydrophobicContact CD2-CE 4.3Å; F1089-M1091 HydrophobicContact CE2-CB 4.39Å; F1089-M1091 HydrophobicContact CE2-CE 3.71Å; F1089-M1091 HydrophobicContact CE2-SD 4.39Å; F1089-M1091 HydrophobicContact CZ-CE 4.48Å |
| 1090 | W | 94.3 | Very high | 85.2 | Confident | 16 Ų | 16 | 58.9 Ų | 58.9 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.9 | 170.1 | -67.2 | 77.5 | 0 | 0 | 0 | 110.2 | A1038 V1039 S1041 E1042 A1047 P1050 F1087 | A1038-W1090 WeakPolarHBondContact CB-O 3.29Å; V1039-W1090 HydrophobicContact CG2-CB 4.04Å; V1039-W1090 PolarHBondContact N-O 3.35Å; V1039-W1090 VanDerWaalsContact N-O 3.15Å; V1039-W1090 PolarHBondContact O-N 2.9Å; S1041-W1090 VanDerWaalsContact CA-CD1 3.41Å; E1042-W1090 HydrophobicContact CB-CD2 3.91Å; E1042-W1090 HydrophobicContact CB-CE3 3.85Å; E1042-W1090 HydrophobicContact CB-CH2 3.63Å; E1042-W1090 HydrophobicContact CB-CZ2 3.7Å; E1042-W1090 HydrophobicContact CB-CZ3 3.7Å; E1042-W1090 VanDerWaalsContact CD-CZ3 3.44Å; E1042-W1090 HydrophobicContact CG-CD2 4.42Å; E1042-W1090 HydrophobicContact CG-CE3 3.84Å; E1042-W1090 HydrophobicContact CG-CH2 3.59Å; E1042-W1090 HydrophobicContact CG-CZ2 4.21Å; E1042-W1090 HydrophobicContact CG-CZ3 3.37Å; E1042-W1090 WeakPolarHBondContact OE1-CZ3 3.32Å; A1047-W1090 HydrophobicContact CB-CB 4.25Å; P1050-W1090 HydrophobicContact CB-CD2 3.82Å; P1050-W1090 HydrophobicContact CB-CE3 3.76Å; P1050-W1090 HydrophobicContact CB-CH2 3.8Å; P1050-W1090 HydrophobicContact CB-CZ2 3.84Å; P1050-W1090 HydrophobicContact CB-CZ3 3.76Å; P1050-W1090 HydrophobicContact CG-CE3 4.15Å; P1050-W1090 HydrophobicContact CG-CH2 3.79Å; P1050-W1090 HydrophobicContact CG-CZ2 4.31Å; P1050-W1090 HydrophobicContact CG-CZ3 3.7Å; F1087-W1090 AromaticContact CD2-CZ2 3.85Å; F1087-W1090 HydrophobicContact CD2-CZ2 3.85Å; F1087-W1090 AromaticContact CE2-CZ2 3.76Å; F1087-W1090 HydrophobicContact CE2-CZ2 3.76Å; F1087-W1090 HydrophobicContact CG-CZ2 4.29Å; F1087-W1090 HydrophobicContact CZ-CZ2 4.12Å |
| 1091 | M | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 177.7 | 179 | 79.4 | -173 | 94.7 | 0 | 0 | 110.3 | L955 I988 K990 I991 A1047 N1048 H1049 L1051 F1089 | L955-M1091 HydrophobicContact CB-SD 4.43Å; L955-M1091 HydrophobicContact CD2-CE 4.15Å; L955-M1091 HydrophobicContact CD2-SD 3.92Å; I988-M1091 HydrophobicContact CD1-CE 4.34Å; K990-M1091 WeakPolarHBondContact O-CB 3.38Å; I991-M1091 HydrophobicContact CG2-CB 3.88Å; I991-M1091 HydrophobicContact CG2-SD 4.18Å; A1047-M1091 CarbonylContact C-O 3.53Å; A1047-M1091 WeakPolarHBondContact CA-O 3.46Å; N1048-M1091 PolarHBondContact N-O 3.01Å; H1049-M1091 HydrophobicContact CB-CG 4.28Å; H1049-M1091 WeakPolarHBondContact CB-O 3.43Å; H1049-M1091 PolarHBondContact N-O 3.41Å; H1049-M1091 WeakPolarHBondContact O-CG 3.18Å; H1049-M1091 PolarHBondContact O-N 2.93Å; L1051-M1091 HydrophobicContact CB-CE 3.79Å; L1051-M1091 HydrophobicContact CD1-CE 4.16Å; L1051-M1091 HydrophobicContact CG-CE 4.44Å; F1089-M1091 HydrophobicContact CD2-CB 4.38Å; F1089-M1091 HydrophobicContact CD2-CE 4.3Å; F1089-M1091 HydrophobicContact CE2-CB 4.39Å; F1089-M1091 HydrophobicContact CE2-CE 3.71Å; F1089-M1091 HydrophobicContact CE2-SD 4.39Å; F1089-M1091 HydrophobicContact CZ-CE 4.48Å |
| 1092 | W | 93.8 | Very high | 88.2 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 13% | 0.129 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -86.8 | 151.5 | 177.6 | -65.3 | -99.9 | 0 | 0 | 0 | 109.8 | F952 G989 K990 V992 L1002 V1039 C1045 A1047 | F952-W1092 HydrophobicContact CD1-CD2 4.39Å; F952-W1092 HydrophobicContact CD1-CE3 4.35Å; F952-W1092 AromaticContact CE1-CD2 3.52Å; F952-W1092 HydrophobicContact CE1-CD2 3.52Å; F952-W1092 AromaticContact CE1-CE2 3.79Å; F952-W1092 AromaticContact CE1-CE3 3.73Å; F952-W1092 HydrophobicContact CE1-CE3 3.73Å; F952-W1092 AromaticContact CE1-CG 3.89Å; F952-W1092 HydrophobicContact CE1-CG 3.89Å; F952-W1092 HydrophobicContact CE1-CH2 4.47Å; F952-W1092 HydrophobicContact CE1-CZ2 4.26Å; F952-W1092 HydrophobicContact CE1-CZ3 4.22Å; F952-W1092 HydrophobicContact CZ-CD2 4.26Å; F952-W1092 HydrophobicContact CZ-CG 4.46Å; G989-W1092 CarbonylContact C-O 3.52Å; G989-W1092 WeakPolarHBondContact CA-O 3.46Å; K990-W1092 HydrophobicContact CB-CB 4.33Å; K990-W1092 PolarHBondContact N-O 3.31Å; K990-W1092 PolarHBondContact O-N 3.31Å; V992-W1092 HydrophobicContact CG2-CE3 4.37Å; V992-W1092 HydrophobicContact CG2-CH2 3.95Å; V992-W1092 HydrophobicContact CG2-CZ3 3.77Å; L1002-W1092 HydrophobicContact CD2-CH2 3.81Å; L1002-W1092 HydrophobicContact CD2-CZ3 4.27Å; V1039-W1092 HydrophobicContact CG1-CH2 3.93Å; C1045-W1092 HydrophobicContact CB-CZ2 3.93Å; C1045-W1092 PolarHBondContact O-NE1 2.83Å; A1047-W1092 HydrophobicContact CB-CD2 4.01Å; A1047-W1092 HydrophobicContact CB-CE3 4.31Å; A1047-W1092 HydrophobicContact CB-CH2 4.25Å; A1047-W1092 HydrophobicContact CB-CZ2 3.97Å; A1047-W1092 HydrophobicContact CB-CZ3 4.42Å |
| 1093 | K | 88.5 | Confident | 88.8 | Confident | 152 Ų | 152 | 52.7 Ų | 52.7 | 66% | 0.661 | 25% | 0.254 | S | S | * | . | trans | -60.2 | 144.3 | 170 | -161.7 | -168.2 | 172.6 | -166.7 | 0 | 109.2 | ||||
| 1094 | A | 83.8 | Confident | 89.4 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | trans | -62.6 | 0 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I987 K990 | I987-A1094 HydrophobicContact CB-CB 4.48Å; I987-A1094 HydrophobicContact CG2-CB 3.6Å; K990-A1094 WeakPolarHBondContact CE-OXT 3.34Å; K990-A1094 PolarHBondContact NZ-OXT 3.05Å |
Retrieved 1,094 of 1,094 residues in 589.3 ms
(Link to these results)