| 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 | 35.6 | Very low | 75.2 | Confident | 236 Ų | 236 | 97.4 Ų | 97.4 | 100% | 1.163 | 52% | 0.516 | S | S | * | . | 0 | 130.3 | 0 | -70.2 | 176.3 | -163 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | A | 32.7 | Very low | 77.2 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 86% | 0.86 | 47% | 0.473 | S | S | * | . | trans | -54.7 | 118 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | E4 | A2-E4 PolarHBondContact O-N 3.08Š| ||
| 3 | T | 45.2 | Very low | 78.8 | Confident | 132 Ų | 132 | 82.8 Ų | 82.8 | 81% | 0.81 | 44% | 0.439 | S | S | * | . | trans | -63.1 | 106 | 171.6 | 41.8 | 0 | 0 | 0 | 0 | 106.7 | M1 Q5 | M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-Q5 PolarHBondContact O-N 3.02Å; T3-Q5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | E | 58.9 | Low | 80.2 | Confident | 178 Ų | 178 | 77.6 Ų | 77.6 | 83% | 0.832 | 42% | 0.415 | S | S | * | . | trans | -48.1 | 121.8 | 159.7 | -77.6 | -174.7 | 158.3 | 0 | 0 | 106.9 | A2 R6 | A2-E4 PolarHBondContact O-N 3.08Å; E4-R6 PolarHBondContact O-N 2.92Å | ||
| 5 | Q | 78.2 | Confident | 81.4 | Confident | 189 Ų | 189 | 72.5 Ų | 72.5 | 88% | 0.883 | 39% | 0.388 | S | S | * | . | trans | -66 | 105.3 | -173.9 | -167.4 | 171.3 | 11.2 | 0 | 0 | 107.7 | T3 | T3-Q5 PolarHBondContact O-N 3.02Å; T3-Q5 VanDerWaalsContact O-N 3.08Å | ||
| 6 | R | 91.4 | Very high | 82.4 | Confident | 68 Ų | 68 | 70.5 Ų | 70.5 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | trans | -63.6 | 135.4 | -178.8 | -62.5 | -175.7 | -178.6 | -106.8 | -16.1 | 109.2 | E4 F8 A89 K90 A92 N116 G117 | E4-R6 PolarHBondContact O-N 2.92Å; R6-F8 PolarHBondContact O-N 3.26Å; R6-A89 PolarHBondContact NH1-O 2.97Å; R6-K90 PolarHBondContact NH1-O 3.25Å; R6-A92 VanDerWaalsContact CD-C 3.44Å; R6-A92 WeakPolarHBondContact CD-O 3.36Å; R6-A92 PolarHBondContact NH1-O 3.21Å; R6-N116 PolarHBondContact NH1-O 2.74Å; R6-N116 PolarHBondContact NH2-O 2.76Å; R6-G117 VanDerWaalsContact NH2-C 3.3Å; R6-G117 PolarHBondContact NH2-O 3.15Å | ||
| 7 | P | 95.3 | Very high | 83.2 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -65.5 | -26.4 | -176.5 | 26 | -35 | 0 | 0 | 0 | 112.8 | P41 Q91 | P7-P41 WeakPolarHBondContact O-CB 3.35Å; P7-Q91 WeakPolarHBondContact CD-O 3.48Å; P7-Q91 HydrophobicContact CG-CB 3.77Å; P7-Q91 HydrophobicContact CG-CG 3.95Å; P7-Q91 WeakPolarHBondContact CG-O 3.37Å |
| 8 | F | 97.5 | Very high | 83.9 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 14% | 0.14 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.2 | -179.2 | -52.6 | -64 | 0 | 0 | 0 | 112.1 | R6 V11 P41 A43 I75 Q91 A92 T93 | R6-F8 PolarHBondContact O-N 3.26Å; F8-V11 HydrophobicContact CB-CG2 3.89Å; F8-V11 HydrophobicContact CD2-CG2 4.29Å; F8-V11 HydrophobicContact CG-CG2 4.35Å; F8-P41 HydrophobicContact CD1-CB 4.39Å; F8-A43 HydrophobicContact CD1-CB 3.94Å; F8-A43 HydrophobicContact CD2-CB 3.89Å; F8-A43 HydrophobicContact CE1-CB 3.96Å; F8-A43 HydrophobicContact CE2-CB 3.93Å; F8-A43 HydrophobicContact CG-CB 3.91Å; F8-A43 HydrophobicContact CZ-CB 3.96Å; F8-I75 HydrophobicContact CD2-CD1 4Å; F8-I75 HydrophobicContact CE2-CD1 3.95Å; F8-I75 HydrophobicContact CE2-CG1 4.34Å; F8-Q91 HydrophobicContact CD2-CB 4.07Å; F8-Q91 HydrophobicContact CE2-CB 4.46Å; F8-Q91 PolarHBondContact N-O 3.14Å; F8-A92 CarbonylContact O-C 3.53Å; F8-A92 WeakPolarHBondContact O-CA 3.29Å; F8-T93 PolarHBondContact O-N 2.77Å; F8-T93 PolarHBondContact O-OG1 2.91Å |
| 9 | H | 96.1 | Very high | 84.6 | Confident | 65 Ų | 65 | 64.9 Ų | 64.9 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -39.8 | 168.4 | -68.9 | 78.9 | 0 | 0 | 0 | 110.4 | L40 P41 T93 V94 L386 | H9-L40 HydrophobicContact CB-CB 4.21Å; H9-L40 HydrophobicContact CB-CD1 4.43Å; H9-L40 HydrophobicContact CB-CD2 4.37Å; H9-P41 PolarHBondContact N-O 3.23Å; H9-T93 WeakPolarHBondContact O-CB 3.36Å; H9-V94 PolarHBondContact O-N 3.47Å; H9-L386 HydrophobicContact CB-CD1 4.15Å |
| 10 | L | 97.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.7 | -178.7 | -60.5 | 177.3 | 0 | 0 | 0 | 111.1 | V27 L40 W42 A43 V94 A382 M383 L386 | L10-V27 HydrophobicContact CD1-CG1 4.19Å; L10-L40 HydrophobicContact CD1-CD1 4.46Å; L10-W42 HydrophobicContact CB-CB 3.93Å; L10-W42 CarbonylContact O-C 3.43Å; L10-W42 WeakPolarHBondContact O-CA 3.16Å; L10-W42 VanDerWaalsContact O-CB 3.31Å; L10-W42 WeakPolarHBondContact O-CB 3.43Å; L10-A43 PolarHBondContact O-N 3.29Å; L10-V94 CarbonylContact C-O 3.55Å; L10-V94 WeakPolarHBondContact CA-O 3.37Å; L10-V94 HydrophobicContact CD2-CB 3.98Å; L10-V94 HydrophobicContact CD2-CG2 4.44Å; L10-A382 HydrophobicContact CD2-CB 3.88Å; L10-M383 HydrophobicContact CD1-SD 4.1Å; L10-L386 HydrophobicContact CD2-CD1 3.73Å; L10-L386 HydrophobicContact CG-CD1 4.13Å |
| 11 | V | 98.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.1 | 167.8 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | F8 F13 A43 A45 I75 M88 A92 V94 V95 L96 | F8-V11 HydrophobicContact CB-CG2 3.89Å; F8-V11 HydrophobicContact CD2-CG2 4.29Å; F8-V11 HydrophobicContact CG-CG2 4.35Å; V11-F13 PolarHBondContact O-N 3.02Å; V11-A43 CarbonylContact C-O 3.58Å; V11-A43 WeakPolarHBondContact CA-O 3.43Å; V11-A43 HydrophobicContact CG2-CB 4.21Å; V11-A45 HydrophobicContact CG1-CB 3.65Å; V11-I75 HydrophobicContact CG1-CD1 4.16Å; V11-I75 HydrophobicContact CG2-CD1 4.06Å; V11-M88 HydrophobicContact CG1-CG 3.89Å; V11-M88 HydrophobicContact CG1-SD 4.04Å; V11-A92 HydrophobicContact CB-CB 3.99Å; V11-A92 HydrophobicContact CG2-CB 3.47Å; V11-A92 VanDerWaalsContact CG2-CB 3.47Å; V11-V94 PolarHBondContact N-O 3.13Å; V11-V95 WeakPolarHBondContact O-CA 3.28Å; V11-L96 PolarHBondContact O-N 2.86Å |
| 12 | V | 98.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 102.1 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | A15 V23 V27 W42 A43 A45 L96 | V12-A15 HydrophobicContact CB-CB 4.29Å; V12-A15 HydrophobicContact CG1-CB 3.97Å; V12-V23 HydrophobicContact CG1-CB 4.29Å; V12-V23 HydrophobicContact CG1-CG1 3.9Å; V12-V23 HydrophobicContact CG2-CG1 4.22Å; V12-V27 HydrophobicContact CG2-CG2 3.92Å; V12-W42 HydrophobicContact CG2-CE3 4.33Å; V12-W42 HydrophobicContact CG2-CZ3 4.2Å; V12-A43 PolarHBondContact N-O 3.36Å; V12-A45 PolarHBondContact O-N 3.38Å; V12-L96 HydrophobicContact CG2-CD1 4.29Å |
| 13 | F | 98.8 | Very high | 92 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.4 | 178.6 | -178.1 | -132 | 0 | 0 | 0 | 111.7 | V11 A45 C77 I79 L85 M88 V95 L96 C98 V99 V109 | V11-F13 PolarHBondContact O-N 3.02Å; F13-A45 HydrophobicContact CB-CB 4.45Å; F13-A45 HydrophobicContact CD2-CB 3.94Å; F13-C77 HydrophobicContact CD2-CB 4.21Å; F13-C77 HydrophobicContact CE2-CB 3.78Å; F13-C77 WeakPolarHBondContact CE2-SG 3.25Å; F13-I79 HydrophobicContact CE1-CD1 3.99Å; F13-I79 HydrophobicContact CZ-CB 4.33Å; F13-I79 HydrophobicContact CZ-CD1 4.34Å; F13-L85 HydrophobicContact CE1-CD2 3.95Å; F13-L85 HydrophobicContact CZ-CD2 3.86Å; F13-M88 HydrophobicContact CB-CE 4.06Å; F13-M88 HydrophobicContact CB-SD 3.77Å; F13-M88 HydrophobicContact CD1-CE 4.07Å; F13-M88 HydrophobicContact CD1-SD 4.5Å; F13-M88 HydrophobicContact CD2-CE 4.2Å; F13-M88 HydrophobicContact CD2-SD 3.6Å; F13-M88 HydrophobicContact CE2-SD 4.34Å; F13-M88 HydrophobicContact CG-CE 3.85Å; F13-M88 HydrophobicContact CG-SD 3.71Å; F13-V95 HydrophobicContact CB-CG1 3.94Å; F13-L96 PolarHBondContact N-O 2.85Å; F13-C98 WeakPolarHBondContact O-CB 3.31Å; F13-C98 PolarHBondContact O-N 3.08Å; F13-V99 HydrophobicContact CD1-CB 4.33Å; F13-V99 HydrophobicContact CD1-CG2 3.54Å; F13-V99 HydrophobicContact CD2-CG2 4.41Å; F13-V99 HydrophobicContact CE1-CB 4.1Å; F13-V99 HydrophobicContact CE1-CG2 3.47Å; F13-V99 VanDerWaalsContact CE1-CG2 3.47Å; F13-V99 HydrophobicContact CE2-CG2 4.33Å; F13-V99 HydrophobicContact CG-CG2 4.03Å; F13-V99 HydrophobicContact CZ-CG2 3.9Å; F13-V109 HydrophobicContact CD1-CG1 4.29Å; F13-V109 HydrophobicContact CD1-CG2 3.96Å; F13-V109 HydrophobicContact CE1-CG2 3.63Å |
| 14 | G | 98.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 23.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S16 G17 A45 | G14-S16 PolarHBondContact O-N 3.43Å; G14-S16 VanDerWaalsContact O-N 3.15Å; G14-G17 WeakPolarHBondContact O-CA 3.32Å; G14-G17 PolarHBondContact O-N 3.34Å; G14-A45 PolarHBondContact N-O 3.49Å |
| 15 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V12 G17 G20 Q21 T24 V44 A45 L52 | V12-A15 HydrophobicContact CB-CB 4.29Å; V12-A15 HydrophobicContact CG1-CB 3.97Å; A15-G17 VanDerWaalsContact C-N 3.29Å; A15-G17 PolarHBondContact O-N 2.95Å; A15-G20 CarbonylContact O-C 3.59Å; A15-Q21 PolarHBondContact O-N 3.4Å; A15-Q21 VanDerWaalsContact O-N 3.13Å; A15-T24 WeakPolarHBondContact CB-OG1 3.21Å; A15-V44 HydrophobicContact CB-CB 3.7Å; A15-V44 HydrophobicContact CB-CG1 3.9Å; A15-A45 PolarHBondContact N-O 2.96Å; A15-L52 HydrophobicContact CB-CD2 3.72Å |
| 16 | S | 97.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 25.1 Ų | 25.1 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -2.8 | 174.5 | 67 | 0 | 0 | 0 | 0 | 114.7 | G14 | G14-S16 PolarHBondContact O-N 3.43Å; G14-S16 VanDerWaalsContact O-N 3.15Å |
| 17 | G | 96.1 | Very high | 97.6 | Very high | 30 Ų | 30 | 22 Ų | 22 | 31% | 0.309 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -71.3 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G14 A15 Q21 | G14-G17 WeakPolarHBondContact O-CA 3.32Å; G14-G17 PolarHBondContact O-N 3.34Å; A15-G17 VanDerWaalsContact C-N 3.29Å; A15-G17 PolarHBondContact O-N 2.95Å; G17-Q21 WeakPolarHBondContact O-CG 3.38Å; G17-Q21 PolarHBondContact O-N 2.76Å; G17-Q21 PolarHBondContact O-NE2 3.43Å |
| 18 | F | 95.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 18.8 Ų | 18.8 | 19% | 0.193 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -60.1 | -178.5 | -166.9 | -92.5 | 0 | 0 | 0 | 111.3 | G20 Q21 F22 H193 Q324 Y371 | F18-G20 PolarHBondContact O-N 2.84Å; F18-Q21 PolarHBondContact O-N 3Å; F18-F22 HydrophobicContact CD1-CE2 4.17Å; F18-F22 AromaticContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CZ 4.45Å; F18-F22 HydrophobicContact CZ-CE2 4.06Å; F18-F22 HydrophobicContact CZ-CZ 4.47Å; F18-F22 VanDerWaalsContact O-CD2 3.26Å; F18-F22 WeakPolarHBondContact O-CD2 3.32Å; F18-H193 HydrophobicContact CB-CB 4.45Å; F18-H193 HydrophobicContact CD1-CB 3.54Å; F18-H193 AromaticContact CD1-CD2 3.97Å; F18-H193 AromaticContact CD1-CG 3.71Å; F18-H193 AromaticContact CD2-CD2 3.45Å; F18-H193 VanDerWaalsContact CD2-CD2 3.45Å; F18-H193 WeakPolarHBondContact CD2-CD2 3.44Å; F18-H193 HydrophobicContact CE1-CB 3.87Å; F18-H193 HydrophobicContact CG-CB 3.91Å; F18-H193 AromaticContact CG-CD2 3.39Å; F18-H193 WeakPolarHBondContact CG-CD2 3.48Å; F18-H193 AromaticContact CG-CG 3.52Å; F18-H193 AromaticContact CG-NE2 3.96Å; F18-Q324 WeakPolarHBondContact CE2-O 3.11Å; F18-Y371 AromaticContact CD1-CD1 3.77Å; F18-Y371 HydrophobicContact CD1-CD1 3.77Å; F18-Y371 AromaticContact CD1-CE1 3.33Å; F18-Y371 HydrophobicContact CD1-CE1 3.33Å; F18-Y371 AromaticContact CD1-CZ 3.97Å; F18-Y371 AromaticContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD2 4.34Å; F18-Y371 AromaticContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE2 4.13Å; F18-Y371 HydrophobicContact CE1-CG 4.07Å; F18-Y371 AromaticContact CE1-CZ 3.59Å |
| 19 | T | 96.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67 | -35.6 | 176.9 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | Q21 F22 V23 I123 T374 | T19-Q21 PolarHBondContact O-N 3.4Å; T19-F22 PolarHBondContact O-N 2.7Å; T19-V23 HydrophobicContact CG2-CG2 4.39Å; T19-V23 PolarHBondContact O-N 3.18Å; T19-I123 HydrophobicContact CG2-CD1 3.44Å; T19-I123 VanDerWaalsContact CG2-CD1 3.44Å; T19-T374 HydrophobicContact CG2-CG2 4.32Å |
| 20 | G | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60 | -28.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A15 F18 V23 T24 | A15-G20 CarbonylContact O-C 3.59Å; F18-G20 PolarHBondContact O-N 2.84Å; G20-V23 PolarHBondContact O-N 2.95Å; G20-T24 WeakPolarHBondContact O-CB 3.14Å; G20-T24 PolarHBondContact O-N 3.06Å; G20-T24 PolarHBondContact O-OG1 3.37Å |
| 21 | Q | 98.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 20.3 Ų | 20.3 | 28% | 0.276 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -64.2 | -43.9 | 173.3 | -80.5 | 168.1 | 86.2 | 0 | 0 | 111.8 | A15 G17 F18 T19 T24 E25 V55 | A15-Q21 PolarHBondContact O-N 3.4Å; A15-Q21 VanDerWaalsContact O-N 3.13Å; G17-Q21 WeakPolarHBondContact O-CG 3.38Å; G17-Q21 PolarHBondContact O-N 2.76Å; G17-Q21 PolarHBondContact O-NE2 3.43Å; F18-Q21 PolarHBondContact O-N 3Å; T19-Q21 PolarHBondContact O-N 3.4Å; Q21-T24 WeakPolarHBondContact O-CB 3.29Å; Q21-T24 PolarHBondContact O-N 3.16Å; Q21-E25 PolarHBondContact O-N 3.04Å; Q21-V55 HydrophobicContact CB-CG1 4.36Å; Q21-V55 HydrophobicContact CG-CB 4.35Å; Q21-V55 HydrophobicContact CG-CG1 3.89Å; Q21-V55 HydrophobicContact CG-CG2 3.53Å |
| 22 | F | 98.4 | Very high | 96 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 15% | 0.145 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.9 | -36.8 | 178 | -62.9 | -90.8 | 0 | 0 | 0 | 111.9 | F18 T19 T24 E25 E26 I331 Y371 P375 | F18-F22 HydrophobicContact CD1-CE2 4.17Å; F18-F22 AromaticContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CZ 4.45Å; F18-F22 HydrophobicContact CZ-CE2 4.06Å; F18-F22 HydrophobicContact CZ-CZ 4.47Å; F18-F22 VanDerWaalsContact O-CD2 3.26Å; F18-F22 WeakPolarHBondContact O-CD2 3.32Å; T19-F22 PolarHBondContact O-N 2.7Å; F22-T24 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 2.9Å; F22-E25 PolarHBondContact O-N 2.83Å; F22-E26 WeakPolarHBondContact O-CB 3.44Å; F22-E26 PolarHBondContact O-N 2.8Å; F22-I331 HydrophobicContact CE1-CD1 3.99Å; F22-I331 HydrophobicContact CZ-CD1 3.88Å; F22-Y371 WeakPolarHBondContact CD1-O 3.49Å; F22-Y371 AromaticContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CG 4.32Å; F22-Y371 AromaticContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CG 4.09Å; F22-Y371 WeakPolarHBondContact CG-O 3.35Å; F22-Y371 HydrophobicContact CZ-CG 4.32Å; F22-P375 HydrophobicContact CB-CB 4.4Å; F22-P375 HydrophobicContact CB-CG 3.52Å |
| 23 | V | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 172.2 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | V12 T19 G20 E26 V27 L96 P375 M378 V379 | V12-V23 HydrophobicContact CG1-CB 4.29Å; V12-V23 HydrophobicContact CG1-CG1 3.9Å; V12-V23 HydrophobicContact CG2-CG1 4.22Å; T19-V23 HydrophobicContact CG2-CG2 4.39Å; T19-V23 PolarHBondContact O-N 3.18Å; G20-V23 PolarHBondContact O-N 2.95Å; V23-E26 PolarHBondContact O-N 3.21Å; V23-V27 HydrophobicContact CG1-CG2 4.46Å; V23-V27 WeakPolarHBondContact O-CG2 3.35Å; V23-V27 PolarHBondContact O-N 2.89Å; V23-L96 HydrophobicContact CG1-CD1 4.18Å; V23-P375 HydrophobicContact CG2-CB 4.23Å; V23-P375 HydrophobicContact CG2-CG 4.27Å; V23-M378 HydrophobicContact CG1-SD 3.97Å; V23-M378 HydrophobicContact CG2-SD 3.95Å; V23-V379 HydrophobicContact CG1-CG2 4.34Å |
| 24 | T | 98.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.8 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | A15 G20 Q21 F22 E26 A28 W42 V44 V55 L56 | A15-T24 WeakPolarHBondContact CB-OG1 3.21Å; G20-T24 WeakPolarHBondContact O-CB 3.14Å; G20-T24 PolarHBondContact O-N 3.06Å; G20-T24 PolarHBondContact O-OG1 3.37Å; Q21-T24 WeakPolarHBondContact O-CB 3.29Å; Q21-T24 PolarHBondContact O-N 3.16Å; F22-T24 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 2.9Å; T24-E26 VanDerWaalsContact C-N 3.34Å; T24-A28 WeakPolarHBondContact O-CB 3.41Å; T24-A28 PolarHBondContact O-N 2.87Å; T24-W42 HydrophobicContact CG2-CH2 3.77Å; T24-W42 HydrophobicContact CG2-CZ3 3.97Å; T24-V44 HydrophobicContact CG2-CG1 3.6Å; T24-V55 HydrophobicContact CG2-CG1 3.76Å; T24-L56 HydrophobicContact CG2-CD2 4Å |
| 25 | E | 97.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 174.7 | -173.5 | -172.1 | 146.6 | 0 | 0 | 111.6 | Q21 F22 A28 R29 K62 L63 | Q21-E25 PolarHBondContact O-N 3.04Å; F22-E25 PolarHBondContact O-N 2.83Å; E25-A28 WeakPolarHBondContact O-CB 3.37Å; E25-A28 PolarHBondContact O-N 3.04Å; E25-R29 PolarHBondContact O-N 2.82Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 3.31Å; E25-K62 WeakPolarHBondContact OE1-CD 3.43Å; E25-K62 WeakPolarHBondContact OE1-CE 3.48Å; E25-K62 IonicContact OE1-NZ 3.83Å; E25-K62 PolarHBondContact OE1-NZ 3.41Å; E25-K62 WeakPolarHBondContact OE2-CD 3.14Å; E25-K62 WeakPolarHBondContact OE2-CE 3.39Å; E25-K62 IonicContact OE2-NZ 3.95Å; E25-K62 PolarHBondContact OE2-NZ 3.48Å; E25-L63 HydrophobicContact CG-CD1 4.3Å; E25-L63 HydrophobicContact CG-CD2 4.29Å; E25-L63 HydrophobicContact CG-CG 4.32Å |
| 26 | E | 97.8 | Very high | 90.2 | Very high | 16 Ų | 16 | 41 Ų | 41 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.8 | -39.8 | -178.4 | -171.8 | 60.1 | -166.5 | 0 | 0 | 112.6 | F22 V23 T24 A28 R29 E30 P375 I376 V379 | F22-E26 WeakPolarHBondContact O-CB 3.44Å; F22-E26 PolarHBondContact O-N 2.8Å; V23-E26 PolarHBondContact O-N 3.21Å; T24-E26 VanDerWaalsContact C-N 3.34Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.22Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.5Å; E26-R29 IonicContact OE2-NE 2.83Å; E26-R29 PolarHBondContact OE2-NE 3.25Å; E26-E30 PolarHBondContact O-N 3.2Å; E26-P375 HydrophobicContact CB-CB 3.82Å; E26-P375 HydrophobicContact CG-CB 4.21Å; E26-I376 HydrophobicContact CG-CG1 4.36Å; E26-V379 HydrophobicContact CB-CG2 3.96Å; E26-V379 HydrophobicContact CG-CB 3.97Å; E26-V379 HydrophobicContact CG-CG1 4.38Å; E26-V379 HydrophobicContact CG-CG2 3.79Å |
| 27 | V | 97.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 170.7 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | L10 V12 V23 R29 E30 Q31 W42 L96 V379 | L10-V27 HydrophobicContact CD1-CG1 4.19Å; V12-V27 HydrophobicContact CG2-CG2 3.92Å; V23-V27 HydrophobicContact CG1-CG2 4.46Å; V23-V27 WeakPolarHBondContact O-CG2 3.35Å; V23-V27 PolarHBondContact O-N 2.89Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.06Å; V27-E30 PolarHBondContact O-N 3.49Å; V27-Q31 WeakPolarHBondContact O-CG 3.46Å; V27-Q31 PolarHBondContact O-N 3.33Å; V27-Q31 VanDerWaalsContact O-N 3.15Å; V27-W42 HydrophobicContact CB-CE3 4.23Å; V27-W42 HydrophobicContact CB-CH2 4.32Å; V27-W42 HydrophobicContact CB-CZ3 4.11Å; V27-W42 HydrophobicContact CG1-CB 4.47Å; V27-W42 HydrophobicContact CG1-CD2 3.48Å; V27-W42 VanDerWaalsContact CG1-CD2 3.48Å; V27-W42 HydrophobicContact CG1-CE3 3.52Å; V27-W42 HydrophobicContact CG1-CG 3.93Å; V27-W42 HydrophobicContact CG1-CH2 4.19Å; V27-W42 HydrophobicContact CG1-CZ2 4.17Å; V27-W42 HydrophobicContact CG1-CZ3 3.88Å; V27-L96 HydrophobicContact CG2-CD1 3.91Å; V27-V379 HydrophobicContact CG2-CG1 4.37Å; V27-V379 HydrophobicContact CG2-CG2 3.58Å |
| 28 | A | 95.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -32.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T24 E25 E26 W42 L63 R65 L68 | T24-A28 WeakPolarHBondContact O-CB 3.41Å; T24-A28 PolarHBondContact O-N 2.87Å; E25-A28 WeakPolarHBondContact O-CB 3.37Å; E25-A28 PolarHBondContact O-N 3.04Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.22Å; A28-W42 HydrophobicContact CB-CH2 4.21Å; A28-W42 HydrophobicContact CB-CZ2 3.9Å; A28-L63 HydrophobicContact CB-CD1 3.58Å; A28-R65 PolarHBondContact O-NH1 3.42Å; A28-L68 HydrophobicContact CB-CD1 3.85Å; A28-L68 HydrophobicContact CB-CD2 3.82Å; A28-L68 HydrophobicContact CB-CG 4.5Å |
| 29 | R | 93.8 | Very high | 86.4 | Confident | 115 Ų | 115 | 52 Ų | 52 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.2 | -48.4 | 173.2 | -172.4 | -175.1 | -55.1 | -71.9 | -5.3 | 111.1 | E25 E26 V27 Q31 V32 L63 | E25-R29 PolarHBondContact O-N 2.82Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 3.31Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.5Å; E26-R29 IonicContact OE2-NE 2.83Å; E26-R29 PolarHBondContact OE2-NE 3.25Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.06Å; R29-Q31 PolarHBondContact O-N 3.42Å; R29-V32 PolarHBondContact O-N 2.72Å; R29-V32 VanDerWaalsContact O-N 3.17Å; R29-L63 HydrophobicContact CB-CD2 4.36Å |
| 30 | E | 92.1 | Very high | 86 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -30.7 | 178.8 | -178.5 | 69.1 | -163.8 | 0 | 0 | 112.7 | E26 V27 V32 D33 V379 Q380 M383 R413 H417 | E26-E30 PolarHBondContact O-N 3.2Å; V27-E30 PolarHBondContact O-N 3.49Å; E30-V32 PolarHBondContact O-N 2.88Å; E30-V32 VanDerWaalsContact O-N 3.09Å; E30-D33 PolarHBondContact O-N 2.81Å; E30-V379 HydrophobicContact CB-CG1 4.04Å; E30-V379 HydrophobicContact CG-CG1 4.17Å; E30-Q380 PolarHBondContact OE2-NE2 2.59Å; E30-M383 HydrophobicContact CG-CE 3.84Å; E30-M383 HydrophobicContact CG-CG 3.9Å; E30-M383 HydrophobicContact CG-SD 4.02Å; E30-M383 WeakPolarHBondContact OE1-CE 3.36Å; E30-R413 IonicContact OE1-CZ 2.72Å; E30-R413 IonicContact OE1-NH2 2.81Å; E30-R413 PolarHBondContact OE1-NH2 3.48Å; E30-R413 IonicContact OE2-NH2 3.78Å; E30-H417 IonicContact OE2-CE1 3.36Å; E30-H417 IonicContact OE2-NE2 3.82Å; E30-H417 PolarHBondContact OE2-NE2 3.13Å |
| 31 | Q | 87.3 | Confident | 85.8 | Confident | 9 Ų | 9 | 54 Ų | 54 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.4 | 178.3 | -69 | -44.2 | -53 | 0 | 0 | 115 | V27 R29 L40 | V27-Q31 WeakPolarHBondContact O-CG 3.46Å; V27-Q31 PolarHBondContact O-N 3.33Å; V27-Q31 VanDerWaalsContact O-N 3.15Å; R29-Q31 PolarHBondContact O-N 3.42Å; Q31-L40 PolarHBondContact OE1-O 2.97Å; Q31-L40 VanDerWaalsContact OE1-O 3.13Å |
| 32 | V | 81.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 14.5 | -177.4 | -157.5 | 0 | 0 | 0 | 0 | 111.7 | R29 E30 P34 | R29-V32 PolarHBondContact O-N 2.72Å; R29-V32 VanDerWaalsContact O-N 3.17Å; E30-V32 PolarHBondContact O-N 2.88Å; E30-V32 VanDerWaalsContact O-N 3.09Å; V32-P34 VanDerWaalsContact O-CD 3.25Å; V32-P34 WeakPolarHBondContact O-CD 3.4Å; V32-P34 VanDerWaalsContact O-N 3.12Å |
| 33 | D | 72.7 | Confident | 85.8 | Confident | 44 Ų | 44 | 50 Ų | 50 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | trans | -56.3 | 117.5 | 174.2 | -173.8 | -14.3 | 0 | 0 | 0 | 110 | E30 E35 R36 | E30-D33 PolarHBondContact O-N 2.81Å; D33-E35 PolarHBondContact O-N 3Å; D33-E35 PolarHBondContact OD1-N 3.4Å; D33-R36 HydrophobicContact CB-CB 4.31Å; D33-R36 VanDerWaalsContact O-CB 3.32Å; D33-R36 WeakPolarHBondContact O-CB 3.17Å; D33-R36 PolarHBondContact O-N 2.95Å | ||
| 34 | P | 64.7 | Low | 85.8 | Confident | 130 Ų | 130 | 50 Ų | 50 | 84% | 0.844 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.5 | -180 | -21.9 | 32.8 | 0 | 0 | 0 | 113.7 | V32 R36 | V32-P34 VanDerWaalsContact O-CD 3.25Å; V32-P34 WeakPolarHBondContact O-CD 3.4Å; V32-P34 VanDerWaalsContact O-N 3.12Å; P34-R36 PolarHBondContact O-N 2.7Å |
| 35 | E | 67.4 | Low | 85.8 | Confident | 143 Ų | 143 | 50 Ų | 50 | 67% | 0.668 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.8 | 177.8 | -62.2 | -170.2 | 166.2 | 0 | 0 | 112.2 | D33 K416 | D33-E35 PolarHBondContact O-N 3Å; D33-E35 PolarHBondContact OD1-N 3.4Å; E35-K416 IonicContact OE1-NZ 2.95Å; E35-K416 IonicContact OE2-NZ 3.18Å; E35-K416 PolarHBondContact OE2-NZ 2.75Å |
| 36 | R | 69.4 | Low | 85.9 | Confident | 57 Ų | 57 | 49 Ų | 49 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | trans | -94.6 | 127 | -174.5 | -157 | 175.9 | -138.4 | -74.8 | -11.5 | 112.7 | D33 P34 S38 N387 | D33-R36 HydrophobicContact CB-CB 4.31Å; D33-R36 VanDerWaalsContact O-CB 3.32Å; D33-R36 WeakPolarHBondContact O-CB 3.17Å; D33-R36 PolarHBondContact O-N 2.95Å; P34-R36 PolarHBondContact O-N 2.7Å; R36-S38 VanDerWaalsContact C-N 3.35Å; R36-S38 WeakPolarHBondContact CD-O 3.41Å; R36-S38 WeakPolarHBondContact CG-O 3.18Å; R36-S38 PolarHBondContact NH1-O 2.86Å; R36-S38 PolarHBondContact O-N 3.1Å; R36-N387 PolarHBondContact NH2-OD1 2.88Å | ||
| 37 | S | 59.2 | Low | 85.8 | Confident | 129 Ų | 129 | 56.8 Ų | 56.8 | 90% | 0.902 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -72.3 | -23 | -178.5 | -38.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 38 | S | 69.8 | Low | 85.9 | Confident | 78 Ų | 78 | 58 Ų | 58 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -154.7 | 147.6 | 179.2 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | R36 | R36-S38 VanDerWaalsContact C-N 3.35Å; R36-S38 WeakPolarHBondContact CD-O 3.41Å; R36-S38 WeakPolarHBondContact CG-O 3.18Å; R36-S38 PolarHBondContact NH1-O 2.86Å; R36-S38 PolarHBondContact O-N 3.1Å |
| 39 | R | 80.2 | Confident | 86 | Confident | 139 Ų | 139 | 64.4 Ų | 64.4 | 53% | 0.525 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 141.2 | 173.3 | -63.6 | -176.6 | -177.4 | 175.5 | 5.1 | 110 | P41 E71 | R39-P41 WeakPolarHBondContact O-CD 3.42Å; R39-E71 IonicContact CZ-OE2 3.84Å; R39-E71 IonicContact NH1-OE1 3.89Å; R39-E71 PolarHBondContact NH1-OE1 2.73Å; R39-E71 IonicContact NH1-OE2 2.77Å; R39-E71 PolarHBondContact NH1-OE2 2.9Å |
| 40 | L | 87.9 | Confident | 86.2 | Confident | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 123.7 | 171 | -64.6 | 179.5 | 0 | 0 | 0 | 109.5 | H9 L10 Q31 W42 M383 L386 | H9-L40 HydrophobicContact CB-CB 4.21Å; H9-L40 HydrophobicContact CB-CD1 4.43Å; H9-L40 HydrophobicContact CB-CD2 4.37Å; L10-L40 HydrophobicContact CD1-CD1 4.46Å; Q31-L40 PolarHBondContact OE1-O 2.97Å; Q31-L40 VanDerWaalsContact OE1-O 3.13Å; L40-W42 PolarHBondContact O-N 3.32Å; L40-M383 HydrophobicContact CD1-CE 3.62Å; L40-M383 HydrophobicContact CD1-SD 3.73Å; L40-L386 HydrophobicContact CD1-CD1 3.83Å |
| 41 | P | 94.1 | Very high | 86.5 | Confident | 62 Ų | 62 | 69 Ų | 69 | 40% | 0.403 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 126.8 | 165.1 | -27.7 | 34.1 | 0 | 0 | 0 | 111 | P7 F8 H9 R39 | P7-P41 WeakPolarHBondContact O-CB 3.35Å; F8-P41 HydrophobicContact CD1-CB 4.39Å; H9-P41 PolarHBondContact N-O 3.23Å; R39-P41 WeakPolarHBondContact O-CD 3.42Å |
| 42 | W | 97.4 | Very high | 87 | Confident | 7 Ų | 7 | 68.6 Ų | 68.6 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 161.8 | 178.9 | 72.2 | -74.3 | 0 | 0 | 0 | 112.1 | L10 V12 T24 V27 A28 L40 V44 L56 L68 V72 G73 | L10-W42 HydrophobicContact CB-CB 3.93Å; L10-W42 CarbonylContact O-C 3.43Å; L10-W42 WeakPolarHBondContact O-CA 3.16Å; L10-W42 VanDerWaalsContact O-CB 3.31Å; L10-W42 WeakPolarHBondContact O-CB 3.43Å; V12-W42 HydrophobicContact CG2-CE3 4.33Å; V12-W42 HydrophobicContact CG2-CZ3 4.2Å; T24-W42 HydrophobicContact CG2-CH2 3.77Å; T24-W42 HydrophobicContact CG2-CZ3 3.97Å; V27-W42 HydrophobicContact CB-CE3 4.23Å; V27-W42 HydrophobicContact CB-CH2 4.32Å; V27-W42 HydrophobicContact CB-CZ3 4.11Å; V27-W42 HydrophobicContact CG1-CB 4.47Å; V27-W42 HydrophobicContact CG1-CD2 3.48Å; V27-W42 VanDerWaalsContact CG1-CD2 3.48Å; V27-W42 HydrophobicContact CG1-CE3 3.52Å; V27-W42 HydrophobicContact CG1-CG 3.93Å; V27-W42 HydrophobicContact CG1-CH2 4.19Å; V27-W42 HydrophobicContact CG1-CZ2 4.17Å; V27-W42 HydrophobicContact CG1-CZ3 3.88Å; A28-W42 HydrophobicContact CB-CH2 4.21Å; A28-W42 HydrophobicContact CB-CZ2 3.9Å; L40-W42 PolarHBondContact O-N 3.32Å; W42-V44 HydrophobicContact CE3-CG1 4.4Å; W42-V44 HydrophobicContact CH2-CG1 4.3Å; W42-V44 HydrophobicContact CZ3-CG1 3.64Å; W42-L56 HydrophobicContact CH2-CD2 4.25Å; W42-L68 HydrophobicContact CZ2-CD1 4.21Å; W42-V72 HydrophobicContact CD2-CG1 3.91Å; W42-V72 HydrophobicContact CD2-CG2 4.25Å; W42-V72 VanDerWaalsContact CE2-CG2 3.42Å; W42-V72 HydrophobicContact CE3-CG1 3.9Å; W42-V72 HydrophobicContact CH2-CG1 3.95Å; W42-V72 HydrophobicContact CH2-CG2 4.03Å; W42-V72 HydrophobicContact CZ2-CB 4.3Å; W42-V72 HydrophobicContact CZ2-CG1 3.94Å; W42-V72 HydrophobicContact CZ2-CG2 3.3Å; W42-V72 HydrophobicContact CZ3-CG1 3.93Å; W42-G73 PolarHBondContact O-N 2.93Å |
| 43 | A | 98.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F8 L10 V11 V12 G73 I75 | F8-A43 HydrophobicContact CD1-CB 3.94Å; F8-A43 HydrophobicContact CD2-CB 3.89Å; F8-A43 HydrophobicContact CE1-CB 3.96Å; F8-A43 HydrophobicContact CE2-CB 3.93Å; F8-A43 HydrophobicContact CG-CB 3.91Å; F8-A43 HydrophobicContact CZ-CB 3.96Å; L10-A43 PolarHBondContact O-N 3.29Å; V11-A43 CarbonylContact C-O 3.58Å; V11-A43 WeakPolarHBondContact CA-O 3.43Å; V11-A43 HydrophobicContact CG2-CB 4.21Å; V12-A43 PolarHBondContact N-O 3.36Å; A43-G73 CarbonylContact C-O 3.44Å; A43-G73 WeakPolarHBondContact CA-O 3.47Å; A43-G73 VanDerWaalsContact CB-O 3.28Å; A43-G73 WeakPolarHBondContact CB-O 3.35Å; A43-I75 HydrophobicContact CB-CD1 4Å; A43-I75 HydrophobicContact CB-CG1 4.15Å |
| 44 | V | 98.8 | Very high | 89 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140.1 | 165.5 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | A15 T24 W42 L52 L56 V72 G73 I74 I75 | A15-V44 HydrophobicContact CB-CB 3.7Å; A15-V44 HydrophobicContact CB-CG1 3.9Å; T24-V44 HydrophobicContact CG2-CG1 3.6Å; W42-V44 HydrophobicContact CE3-CG1 4.4Å; W42-V44 HydrophobicContact CH2-CG1 4.3Å; W42-V44 HydrophobicContact CZ3-CG1 3.64Å; V44-L52 HydrophobicContact CB-CD2 4.2Å; V44-L52 HydrophobicContact CG2-CB 4Å; V44-L52 HydrophobicContact CG2-CD2 4.18Å; V44-L52 HydrophobicContact CG2-CG 4.47Å; V44-L56 HydrophobicContact CG1-CD2 3.93Å; V44-L56 HydrophobicContact CG2-CD1 3.97Å; V44-L56 HydrophobicContact CG2-CD2 4.3Å; V44-L56 HydrophobicContact CG2-CG 4.22Å; V44-V72 HydrophobicContact CG1-CG1 4.25Å; V44-V72 HydrophobicContact CG2-CG1 4.48Å; V44-G73 PolarHBondContact N-O 2.89Å; V44-I74 HydrophobicContact CG2-CG1 3.97Å; V44-I74 WeakPolarHBondContact O-CA 3.33Å; V44-I75 PolarHBondContact O-N 3.44Å |
| 45 | A | 98.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V11 V12 F13 G14 A15 I75 C77 M88 | V11-A45 HydrophobicContact CG1-CB 3.65Å; V12-A45 PolarHBondContact O-N 3.38Å; F13-A45 HydrophobicContact CB-CB 4.45Å; F13-A45 HydrophobicContact CD2-CB 3.94Å; G14-A45 PolarHBondContact N-O 3.49Å; A15-A45 PolarHBondContact N-O 2.96Å; A45-I75 VanDerWaalsContact CA-O 3.24Å; A45-I75 WeakPolarHBondContact CA-O 3.31Å; A45-I75 HydrophobicContact CB-CB 4.03Å; A45-C77 HydrophobicContact CB-CB 4.33Å; A45-M88 HydrophobicContact CB-CG 4.23Å; A45-M88 HydrophobicContact CB-SD 3.55Å; A45-M88 VanDerWaalsContact CB-SD 3.55Å |
| 46 | G | 98.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -178.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I75 I76 C77 | G46-I75 PolarHBondContact N-O 2.93Å; G46-I76 WeakPolarHBondContact O-CA 3.32Å; G46-C77 CarbonylContact C-O 3.57Å; G46-C77 WeakPolarHBondContact CA-O 3.28Å; G46-C77 PolarHBondContact O-N 3.36Å |
| 47 | R | 97.1 | Very high | 93.4 | Very high | 180 Ų | 180 | 63.1 Ų | 63.1 | 68% | 0.679 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -77.4 | -26.5 | -168.4 | -64.4 | 180 | -65.9 | 173.8 | -2.1 | 115.6 | C77 D78 | R47-C77 PolarHBondContact N-O 3Å; R47-D78 VanDerWaalsContact CD-CG 3.46Å; R47-D78 WeakPolarHBondContact CD-OD1 3.2Å; R47-D78 WeakPolarHBondContact CD-OD2 3.39Å; R47-D78 HydrophobicContact CG-CB 3.9Å |
| 48 | S | 98.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 19% | 0.189 | 29% | 0.286 | C | S | . | . | trans | -125.4 | 117.1 | -174.1 | 160.1 | 0 | 0 | 0 | 0 | 110.1 | E50 K51 L52 | S48-E50 PolarHBondContact O-N 3.32Å; S48-E50 PolarHBondContact OG-OE2 3.41Å; S48-K51 PolarHBondContact O-N 2.72Å; S48-K51 WeakPolarHBondContact OG-CG 3.48Å; S48-K51 PolarHBondContact OG-N 2.82Å; S48-L52 WeakPolarHBondContact O-CG 3.18Å; S48-L52 PolarHBondContact O-N 3Å; S48-L52 VanDerWaalsContact O-N 3.11Å | ||
| 49 | R | 97.9 | Very high | 96.5 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 50% | 0.502 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.8 | -42.5 | 178.4 | -160.5 | 172.9 | -155.7 | 142.4 | 6.8 | 111.4 | K51 L52 Q53 I74 I76 | R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.75Å; R49-L52 WeakPolarHBondContact O-CB 3.41Å; R49-L52 PolarHBondContact O-N 2.96Å; R49-Q53 WeakPolarHBondContact O-CG 3.45Å; R49-Q53 PolarHBondContact O-N 3.42Å; R49-I74 HydrophobicContact CG-CG2 4.12Å; R49-I76 HydrophobicContact CB-CD1 3.76Å; R49-I76 HydrophobicContact CG-CD1 4.18Å |
| 50 | E | 98.2 | Very high | 97.2 | Very high | 110 Ų | 110 | 53.6 Ų | 53.6 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -67.8 | -33.9 | -176.6 | -50.5 | 70.4 | -149.6 | 0 | 0 | 111.4 | S48 R54 | S48-E50 PolarHBondContact O-N 3.32Å; S48-E50 PolarHBondContact OG-OE2 3.41Å; E50-R54 WeakPolarHBondContact O-CG 3.5Å; E50-R54 PolarHBondContact O-N 3.33Å; E50-R54 PolarHBondContact O-NE 2.99Å; E50-R54 VanDerWaalsContact O-NE 3.14Å |
| 51 | K | 98.3 | Very high | 97.6 | Very high | 108 Ų | 108 | 60 Ų | 60 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.2 | -42.5 | 173 | -72.6 | -178 | -176.3 | -179.1 | 0 | 110.9 | S48 R49 R54 V55 | S48-K51 PolarHBondContact O-N 2.72Å; S48-K51 WeakPolarHBondContact OG-CG 3.48Å; S48-K51 PolarHBondContact OG-N 2.82Å; R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.75Å; K51-R54 PolarHBondContact O-N 3.08Å; K51-V55 WeakPolarHBondContact O-CG2 3.21Å; K51-V55 PolarHBondContact O-N 3.37Å |
| 52 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.4 | -64.4 | 171.9 | 0 | 0 | 0 | 111.5 | A15 V44 S48 R49 R54 V55 L56 I74 I76 | A15-L52 HydrophobicContact CB-CD2 3.72Å; V44-L52 HydrophobicContact CB-CD2 4.2Å; V44-L52 HydrophobicContact CG2-CB 4Å; V44-L52 HydrophobicContact CG2-CD2 4.18Å; V44-L52 HydrophobicContact CG2-CG 4.47Å; S48-L52 WeakPolarHBondContact O-CG 3.18Å; S48-L52 PolarHBondContact O-N 3Å; S48-L52 VanDerWaalsContact O-N 3.11Å; R49-L52 WeakPolarHBondContact O-CB 3.41Å; R49-L52 PolarHBondContact O-N 2.96Å; L52-R54 PolarHBondContact O-N 3.05Å; L52-V55 WeakPolarHBondContact O-CB 3.37Å; L52-V55 PolarHBondContact O-N 2.82Å; L52-V55 VanDerWaalsContact O-N 3.11Å; L52-L56 PolarHBondContact O-N 3.36Å; L52-I74 HydrophobicContact CB-CG2 4.35Å; L52-I74 HydrophobicContact CD1-CG2 3.74Å; L52-I76 HydrophobicContact CD1-CD1 4.47Å |
| 53 | Q | 98.1 | Very high | 97.4 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 39% | 0.388 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 174.3 | -74.2 | 171.4 | -40.2 | 0 | 0 | 111.9 | R49 V55 L56 E57 I74 | R49-Q53 WeakPolarHBondContact O-CG 3.45Å; R49-Q53 PolarHBondContact O-N 3.42Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 PolarHBondContact O-N 2.92Å; Q53-L56 PolarHBondContact O-N 3.27Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; Q53-E57 WeakPolarHBondContact O-CG 3.36Å; Q53-E57 PolarHBondContact O-N 3.3Å; Q53-I74 HydrophobicContact CG-CD1 3.72Å |
| 54 | R | 98 | Very high | 97.3 | Very high | 132 Ų | 132 | 66.5 Ų | 66.5 | 50% | 0.498 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -32.3 | 175.9 | -76.8 | -177.4 | -71.7 | 175.9 | -10.3 | 113.7 | E50 K51 L52 K58 | E50-R54 WeakPolarHBondContact O-CG 3.5Å; E50-R54 PolarHBondContact O-N 3.33Å; E50-R54 PolarHBondContact O-NE 2.99Å; E50-R54 VanDerWaalsContact O-NE 3.14Å; K51-R54 PolarHBondContact O-N 3.08Å; L52-R54 PolarHBondContact O-N 3.05Å; R54-K58 WeakPolarHBondContact O-CB 3.47Å; R54-K58 VanDerWaalsContact O-CG 3.25Å; R54-K58 WeakPolarHBondContact O-CG 3.33Å; R54-K58 PolarHBondContact O-N 2.94Å; R54-K58 VanDerWaalsContact O-N 3.11Å |
| 55 | V | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.5 | -46.2 | 173.3 | 176 | 0 | 0 | 0 | 0 | 110.3 | Q21 T24 K51 L52 Q53 K58 A59 | Q21-V55 HydrophobicContact CB-CG1 4.36Å; Q21-V55 HydrophobicContact CG-CB 4.35Å; Q21-V55 HydrophobicContact CG-CG1 3.89Å; Q21-V55 HydrophobicContact CG-CG2 3.53Å; T24-V55 HydrophobicContact CG2-CG1 3.76Å; K51-V55 WeakPolarHBondContact O-CG2 3.21Å; K51-V55 PolarHBondContact O-N 3.37Å; L52-V55 WeakPolarHBondContact O-CB 3.37Å; L52-V55 PolarHBondContact O-N 2.82Å; L52-V55 VanDerWaalsContact O-N 3.11Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 PolarHBondContact O-N 2.92Å; V55-K58 PolarHBondContact O-N 3.04Å; V55-A59 WeakPolarHBondContact O-CB 3.39Å; V55-A59 PolarHBondContact O-N 2.92Å |
| 56 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.2 | -64.2 | 174.7 | 0 | 0 | 0 | 112 | T24 W42 V44 L52 Q53 K58 A59 A60 V72 I74 | T24-L56 HydrophobicContact CG2-CD2 4Å; W42-L56 HydrophobicContact CH2-CD2 4.25Å; V44-L56 HydrophobicContact CG1-CD2 3.93Å; V44-L56 HydrophobicContact CG2-CD1 3.97Å; V44-L56 HydrophobicContact CG2-CD2 4.3Å; V44-L56 HydrophobicContact CG2-CG 4.22Å; L52-L56 PolarHBondContact O-N 3.36Å; Q53-L56 PolarHBondContact O-N 3.27Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; L56-K58 PolarHBondContact O-N 3.01Å; L56-A59 PolarHBondContact O-N 3.22Å; L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.1Å; L56-V72 HydrophobicContact CD1-CB 4.16Å; L56-V72 HydrophobicContact CD1-CG1 4.25Å; L56-V72 HydrophobicContact CD2-CB 4.06Å; L56-V72 HydrophobicContact CD2-CG1 3.84Å; L56-V72 HydrophobicContact CD2-CG2 4.21Å; L56-I74 HydrophobicContact CD1-CD1 4.12Å; L56-I74 HydrophobicContact CD1-CG1 4.15Å |
| 57 | E | 97.4 | Very high | 96.3 | Very high | 110 Ų | 110 | 76.7 Ų | 76.7 | 51% | 0.514 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.2 | -72.2 | 164.1 | -170.7 | 0 | 0 | 112.2 | Q53 A60 L61 | Q53-E57 WeakPolarHBondContact O-CG 3.36Å; Q53-E57 PolarHBondContact O-N 3.3Å; E57-A60 WeakPolarHBondContact O-CB 3.48Å; E57-A60 PolarHBondContact O-N 2.98Å; E57-L61 WeakPolarHBondContact O-CB 3.5Å; E57-L61 PolarHBondContact O-N 3.24Å |
| 58 | K | 96.2 | Very high | 96.1 | Very high | 132 Ų | 132 | 68.1 Ų | 68.1 | 57% | 0.574 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 176.2 | -75.4 | 176 | -179.1 | -173.6 | 0 | 111.9 | R54 V55 L56 A60 L61 K62 | R54-K58 WeakPolarHBondContact O-CB 3.47Å; R54-K58 VanDerWaalsContact O-CG 3.25Å; R54-K58 WeakPolarHBondContact O-CG 3.33Å; R54-K58 PolarHBondContact O-N 2.94Å; R54-K58 VanDerWaalsContact O-N 3.11Å; V55-K58 PolarHBondContact O-N 3.04Å; L56-K58 PolarHBondContact O-N 3.01Å; K58-A60 VanDerWaalsContact C-N 3.35Å; K58-L61 PolarHBondContact O-N 3.05Å; K58-K62 WeakPolarHBondContact O-CB 3.43Å; K58-K62 PolarHBondContact O-N 2.84Å |
| 59 | A | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V55 L56 L61 K62 L63 L68 | V55-A59 WeakPolarHBondContact O-CB 3.39Å; V55-A59 PolarHBondContact O-N 2.92Å; L56-A59 PolarHBondContact O-N 3.22Å; A59-L61 PolarHBondContact O-N 2.89Å; A59-K62 PolarHBondContact O-N 3.42Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.24Å; A59-L63 VanDerWaalsContact O-CG 3.28Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.4Å; A59-L68 HydrophobicContact CB-CD2 3.82Å |
| 60 | A | 96.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 67.7 Ų | 67.7 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L56 E57 K58 G64 R65 L68 | L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.1Å; E57-A60 WeakPolarHBondContact O-CB 3.48Å; E57-A60 PolarHBondContact O-N 2.98Å; K58-A60 VanDerWaalsContact C-N 3.35Å; A60-G64 CarbonylContact O-C 3.48Å; A60-G64 PolarHBondContact O-N 3.32Å; A60-R65 WeakPolarHBondContact CA-O 3.41Å; A60-R65 WeakPolarHBondContact CB-O 3.39Å; A60-R65 PolarHBondContact O-N 2.9Å; A60-L68 HydrophobicContact CB-CB 3.96Å; A60-L68 HydrophobicContact CB-CD2 4.26Å |
| 61 | L | 96.2 | Very high | 95.1 | Very high | 151 Ų | 151 | 65.6 Ų | 65.6 | 79% | 0.791 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.1 | -48.7 | 178.5 | -177.8 | 65.1 | 0 | 0 | 0 | 111.6 | E57 K58 A59 L63 G64 | E57-L61 WeakPolarHBondContact O-CB 3.5Å; E57-L61 PolarHBondContact O-N 3.24Å; K58-L61 PolarHBondContact O-N 3.05Å; A59-L61 PolarHBondContact O-N 2.89Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.93Å; L61-G64 PolarHBondContact O-N 2.94Å |
| 62 | K | 94.2 | Very high | 95 | Very high | 106 Ų | 106 | 61 Ų | 61 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.2 | -33.2 | -176.6 | -173.9 | 168.8 | 170.1 | -162.8 | 0 | 113 | E25 K58 A59 | E25-K62 WeakPolarHBondContact OE1-CD 3.43Å; E25-K62 WeakPolarHBondContact OE1-CE 3.48Å; E25-K62 IonicContact OE1-NZ 3.83Å; E25-K62 PolarHBondContact OE1-NZ 3.41Å; E25-K62 WeakPolarHBondContact OE2-CD 3.14Å; E25-K62 WeakPolarHBondContact OE2-CE 3.39Å; E25-K62 IonicContact OE2-NZ 3.95Å; E25-K62 PolarHBondContact OE2-NZ 3.48Å; K58-K62 WeakPolarHBondContact O-CB 3.43Å; K58-K62 PolarHBondContact O-N 2.84Å; A59-K62 PolarHBondContact O-N 3.42Å |
| 63 | L | 94.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -92.2 | -3.9 | 179.2 | -61.3 | 175.4 | 0 | 0 | 0 | 113.4 | E25 A28 R29 A59 L61 R65 | E25-L63 HydrophobicContact CG-CD1 4.3Å; E25-L63 HydrophobicContact CG-CD2 4.29Å; E25-L63 HydrophobicContact CG-CG 4.32Å; A28-L63 HydrophobicContact CB-CD1 3.58Å; R29-L63 HydrophobicContact CB-CD2 4.36Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.24Å; A59-L63 VanDerWaalsContact O-CG 3.28Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.4Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.93Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 HydrophobicContact CB-CB 4.45Å; L63-R65 HydrophobicContact CB-CG 3.97Å; L63-R65 PolarHBondContact O-N 2.92Å |
| 64 | G | 95.1 | Very high | 95 | Very high | 63 Ų | 63 | 60 Ų | 60 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 32.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A60 L61 P66 | A60-G64 CarbonylContact O-C 3.48Å; A60-G64 PolarHBondContact O-N 3.32Å; L61-G64 PolarHBondContact O-N 2.94Å; G64-P66 VanDerWaalsContact O-CD 3.3Å; G64-P66 WeakPolarHBondContact O-CD 3.31Å |
| 65 | R | 92.5 | Very high | 95 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | trans | -115.8 | 77.8 | -175.1 | -65.2 | -169.8 | 67.8 | -162.6 | -7.9 | 112.1 | A28 A60 L63 T67 L68 E71 | A28-R65 PolarHBondContact O-NH1 3.42Å; A60-R65 WeakPolarHBondContact CA-O 3.41Å; A60-R65 WeakPolarHBondContact CB-O 3.39Å; A60-R65 PolarHBondContact O-N 2.9Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 HydrophobicContact CB-CB 4.45Å; L63-R65 HydrophobicContact CB-CG 3.97Å; L63-R65 PolarHBondContact O-N 2.92Å; R65-T67 PolarHBondContact O-N 3.18Å; R65-T67 VanDerWaalsContact O-N 3.15Å; R65-L68 HydrophobicContact CB-CB 4.17Å; R65-L68 VanDerWaalsContact O-CB 3.28Å; R65-L68 WeakPolarHBondContact O-CB 3.14Å; R65-L68 PolarHBondContact O-N 2.86Å; R65-L68 VanDerWaalsContact O-N 3.08Å; R65-E71 IonicContact CZ-OE2 2.89Å; R65-E71 IonicContact NH2-OE1 3.94Å; R65-E71 IonicContact NH2-OE2 2.89Å; R65-E71 PolarHBondContact NH2-OE2 2.96Å | ||
| 66 | P | 91.3 | Very high | 95 | Very high | 118 Ų | 118 | 58 Ų | 58 | 77% | 0.766 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.5 | -173.5 | 25.1 | -34.7 | 0 | 0 | 0 | 114.1 | G64 L68 | G64-P66 VanDerWaalsContact O-CD 3.3Å; G64-P66 WeakPolarHBondContact O-CD 3.31Å; P66-L68 VanDerWaalsContact C-N 3.34Å |
| 67 | T | 91 | Very high | 95 | Very high | 72 Ų | 72 | 58 Ų | 58 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.2 | 179 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | R65 S69 S70 E71 | R65-T67 PolarHBondContact O-N 3.18Å; R65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.32Å; T67-S69 PolarHBondContact O-N 3Å; T67-S70 PolarHBondContact O-N 2.88Å; T67-S70 VanDerWaalsContact O-N 3.11Å; T67-S70 PolarHBondContact O-OG 3.26Å; T67-E71 WeakPolarHBondContact CB-OE1 3.15Å; T67-E71 WeakPolarHBondContact O-CG 3.28Å; T67-E71 PolarHBondContact O-N 3.36Å; T67-E71 PolarHBondContact OG1-OE1 3.5Å |
| 68 | L | 93.3 | Very high | 95 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.2 | -45.6 | -173.7 | -177.1 | 67 | 0 | 0 | 0 | 112.2 | A28 W42 A59 A60 R65 P66 S70 E71 V72 | A28-L68 HydrophobicContact CB-CD1 3.85Å; A28-L68 HydrophobicContact CB-CD2 3.82Å; A28-L68 HydrophobicContact CB-CG 4.5Å; W42-L68 HydrophobicContact CZ2-CD1 4.21Å; A59-L68 HydrophobicContact CB-CD2 3.82Å; A60-L68 HydrophobicContact CB-CB 3.96Å; A60-L68 HydrophobicContact CB-CD2 4.26Å; R65-L68 HydrophobicContact CB-CB 4.17Å; R65-L68 VanDerWaalsContact O-CB 3.28Å; R65-L68 WeakPolarHBondContact O-CB 3.14Å; R65-L68 PolarHBondContact O-N 2.86Å; R65-L68 VanDerWaalsContact O-N 3.08Å; P66-L68 VanDerWaalsContact C-N 3.34Å; L68-S70 PolarHBondContact O-N 3.28Å; L68-S70 VanDerWaalsContact O-N 3.17Å; L68-E71 PolarHBondContact O-N 3.07Å; L68-V72 HydrophobicContact CD1-CG2 3.89Å; L68-V72 HydrophobicContact CG-CG2 4.22Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 3Å |
| 69 | S | 91.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -25.6 | -177 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | T67 | T67-S69 VanDerWaalsContact C-N 3.32Å; T67-S69 PolarHBondContact O-N 3Å |
| 70 | S | 89.8 | Confident | 94.8 | Very high | 103 Ų | 103 | 54.4 Ų | 54.4 | 72% | 0.72 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -85.6 | -15.8 | 176 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | T67 L68 | T67-S70 PolarHBondContact O-N 2.88Å; T67-S70 VanDerWaalsContact O-N 3.11Å; T67-S70 PolarHBondContact O-OG 3.26Å; L68-S70 PolarHBondContact O-N 3.28Å; L68-S70 VanDerWaalsContact O-N 3.17Å |
| 71 | E | 91.3 | Very high | 94.9 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -93.1 | -14.4 | -177.3 | -65.5 | 173 | -163.7 | 0 | 0 | 112.9 | R39 R65 T67 L68 | R39-E71 IonicContact CZ-OE2 3.84Å; R39-E71 IonicContact NH1-OE1 3.89Å; R39-E71 PolarHBondContact NH1-OE1 2.73Å; R39-E71 IonicContact NH1-OE2 2.77Å; R39-E71 PolarHBondContact NH1-OE2 2.9Å; R65-E71 IonicContact CZ-OE2 2.89Å; R65-E71 IonicContact NH2-OE1 3.94Å; R65-E71 IonicContact NH2-OE2 2.89Å; R65-E71 PolarHBondContact NH2-OE2 2.96Å; T67-E71 WeakPolarHBondContact CB-OE1 3.15Å; T67-E71 WeakPolarHBondContact O-CG 3.28Å; T67-E71 PolarHBondContact O-N 3.36Å; T67-E71 PolarHBondContact OG1-OE1 3.5Å; L68-E71 PolarHBondContact O-N 3.07Å |
| 72 | V | 96.8 | Very high | 95 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -110.6 | 127.8 | -170.1 | -176 | 0 | 0 | 0 | 0 | 110.9 | W42 V44 L56 L68 | W42-V72 HydrophobicContact CD2-CG1 3.91Å; W42-V72 HydrophobicContact CD2-CG2 4.25Å; W42-V72 VanDerWaalsContact CE2-CG2 3.42Å; W42-V72 HydrophobicContact CE3-CG1 3.9Å; W42-V72 HydrophobicContact CH2-CG1 3.95Å; W42-V72 HydrophobicContact CH2-CG2 4.03Å; W42-V72 HydrophobicContact CZ2-CB 4.3Å; W42-V72 HydrophobicContact CZ2-CG1 3.94Å; W42-V72 HydrophobicContact CZ2-CG2 3.3Å; W42-V72 HydrophobicContact CZ3-CG1 3.93Å; V44-V72 HydrophobicContact CG1-CG1 4.25Å; V44-V72 HydrophobicContact CG2-CG1 4.48Å; L56-V72 HydrophobicContact CD1-CB 4.16Å; L56-V72 HydrophobicContact CD1-CG1 4.25Å; L56-V72 HydrophobicContact CD2-CB 4.06Å; L56-V72 HydrophobicContact CD2-CG1 3.84Å; L56-V72 HydrophobicContact CD2-CG2 4.21Å; L68-V72 HydrophobicContact CD1-CG2 3.89Å; L68-V72 HydrophobicContact CG-CG2 4.22Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 3Å |
| 73 | G | 97.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 52.5 Ų | 52.5 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 150.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | W42 A43 V44 | W42-G73 PolarHBondContact O-N 2.93Å; A43-G73 CarbonylContact C-O 3.44Å; A43-G73 WeakPolarHBondContact CA-O 3.47Å; A43-G73 VanDerWaalsContact CB-O 3.28Å; A43-G73 WeakPolarHBondContact CB-O 3.35Å; V44-G73 PolarHBondContact N-O 2.89Å |
| 74 | I | 98.5 | Very high | 95.3 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 22% | 0.221 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122 | 172.5 | -64.4 | 174.4 | 0 | 0 | 0 | 108.6 | V44 R49 L52 Q53 L56 I76 | V44-I74 HydrophobicContact CG2-CG1 3.97Å; V44-I74 WeakPolarHBondContact O-CA 3.33Å; R49-I74 HydrophobicContact CG-CG2 4.12Å; L52-I74 HydrophobicContact CB-CG2 4.35Å; L52-I74 HydrophobicContact CD1-CG2 3.74Å; Q53-I74 HydrophobicContact CG-CD1 3.72Å; L56-I74 HydrophobicContact CD1-CD1 4.12Å; L56-I74 HydrophobicContact CD1-CG1 4.15Å; I74-I76 HydrophobicContact CG2-CD1 4.34Å |
| 75 | I | 98.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.1 | 177.8 | -57 | 173.6 | 0 | 0 | 0 | 108.9 | F8 V11 A43 V44 A45 G46 C77 M88 Q91 | F8-I75 HydrophobicContact CD2-CD1 4Å; F8-I75 HydrophobicContact CE2-CD1 3.95Å; F8-I75 HydrophobicContact CE2-CG1 4.34Å; V11-I75 HydrophobicContact CG1-CD1 4.16Å; V11-I75 HydrophobicContact CG2-CD1 4.06Å; A43-I75 HydrophobicContact CB-CD1 4Å; A43-I75 HydrophobicContact CB-CG1 4.15Å; V44-I75 PolarHBondContact O-N 3.44Å; A45-I75 VanDerWaalsContact CA-O 3.24Å; A45-I75 WeakPolarHBondContact CA-O 3.31Å; A45-I75 HydrophobicContact CB-CB 4.03Å; G46-I75 PolarHBondContact N-O 2.93Å; I75-C77 HydrophobicContact CG2-CB 4.48Å; I75-C77 PolarHBondContact O-N 3.36Å; I75-M88 HydrophobicContact CD1-CG 4.38Å; I75-M88 HydrophobicContact CG2-CB 4.08Å; I75-M88 HydrophobicContact CG2-CG 4.26Å; I75-Q91 HydrophobicContact CD1-CB 4.32Å |
| 76 | I | 98.4 | Very high | 95.8 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 45% | 0.446 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 116.8 | 172.1 | -55.3 | -55.4 | 0 | 0 | 0 | 108.3 | G46 R49 L52 I74 | G46-I76 WeakPolarHBondContact O-CA 3.32Å; R49-I76 HydrophobicContact CB-CD1 3.76Å; R49-I76 HydrophobicContact CG-CD1 4.18Å; L52-I76 HydrophobicContact CD1-CD1 4.47Å; I74-I76 HydrophobicContact CG2-CD1 4.34Å |
| 77 | C | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | trans | -141.9 | 127.7 | -175.9 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | F13 A45 G46 R47 I75 L85 M88 | F13-C77 HydrophobicContact CD2-CB 4.21Å; F13-C77 HydrophobicContact CE2-CB 3.78Å; F13-C77 WeakPolarHBondContact CE2-SG 3.25Å; A45-C77 HydrophobicContact CB-CB 4.33Å; G46-C77 CarbonylContact C-O 3.57Å; G46-C77 WeakPolarHBondContact CA-O 3.28Å; G46-C77 PolarHBondContact O-N 3.36Å; R47-C77 PolarHBondContact N-O 3Å; I75-C77 HydrophobicContact CG2-CB 4.48Å; I75-C77 PolarHBondContact O-N 3.36Å; C77-L85 VanDerWaalsContact SG-CD2 3.55Å; C77-M88 HydrophobicContact CB-CB 4.39Å; C77-M88 HydrophobicContact CB-SD 4.09Å | ||
| 78 | D | 96.7 | Very high | 96.5 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | trans | -118.2 | 126.4 | 175.3 | -165.4 | -19.9 | 0 | 0 | 0 | 109.7 | R47 A80 N81 S84 | R47-D78 VanDerWaalsContact CD-CG 3.46Å; R47-D78 WeakPolarHBondContact CD-OD1 3.2Å; R47-D78 WeakPolarHBondContact CD-OD2 3.39Å; R47-D78 HydrophobicContact CG-CB 3.9Å; D78-A80 PolarHBondContact O-N 2.83Å; D78-A80 VanDerWaalsContact O-N 3.13Å; D78-A80 PolarHBondContact OD1-N 3.09Å; D78-N81 HydrophobicContact CB-CB 4.28Å; D78-N81 PolarHBondContact O-N 3.17Å; D78-S84 PolarHBondContact N-OG 2.96Å; D78-S84 PolarHBondContact O-OG 3.3Å | ||
| 79 | I | 95 | Very high | 96.7 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.5 | 176.6 | -165.9 | 71.6 | 0 | 0 | 0 | 112.8 | F13 N81 L85 Y105 P108 V109 | F13-I79 HydrophobicContact CE1-CD1 3.99Å; F13-I79 HydrophobicContact CZ-CB 4.33Å; F13-I79 HydrophobicContact CZ-CD1 4.34Å; I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 PolarHBondContact O-N 3.23Å; I79-L85 HydrophobicContact CD1-CD1 4.12Å; I79-L85 HydrophobicContact CD1-CD2 4.02Å; I79-Y105 WeakPolarHBondContact CD1-O 3.31Å; I79-Y105 HydrophobicContact CG1-CD1 4.24Å; I79-Y105 HydrophobicContact CG2-CD1 4.31Å; I79-P108 HydrophobicContact CD1-CB 4.27Å; I79-V109 HydrophobicContact CD1-CG2 3.41Å; I79-V109 VanDerWaalsContact CD1-CG2 3.41Å |
| 80 | A | 95.1 | Very high | 97 | Very high | 85 Ų | 85 | 47.7 Ų | 47.7 | 70% | 0.702 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D78 | D78-A80 PolarHBondContact O-N 2.83Å; D78-A80 VanDerWaalsContact O-N 3.13Å; D78-A80 PolarHBondContact OD1-N 3.09Å |
| 81 | N | 97.5 | Very high | 97.4 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | trans | -117.3 | 98.8 | 180 | -179.8 | -2 | 0 | 0 | 0 | 110.5 | D78 I79 A83 S84 L85 | D78-N81 HydrophobicContact CB-CB 4.28Å; D78-N81 PolarHBondContact O-N 3.17Å; I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 PolarHBondContact O-N 3.23Å; N81-A83 VanDerWaalsContact C-N 3.29Å; N81-A83 PolarHBondContact O-N 3.17Å; N81-A83 PolarHBondContact OD1-N 3.08Å; N81-S84 PolarHBondContact O-N 3.11Å; N81-S84 PolarHBondContact O-OG 2.74Å; N81-L85 PolarHBondContact O-N 3.18Å | ||
| 82 | P | 97.6 | Very high | 97.8 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 58% | 0.578 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -52.7 | -41.4 | -179.8 | -28.5 | 35.7 | 0 | 0 | 0 | 114.4 | S84 L85 D86 | P82-S84 PolarHBondContact O-N 3.24Å; P82-L85 WeakPolarHBondContact O-CB 3.49Å; P82-L85 PolarHBondContact O-N 3.15Å; P82-D86 PolarHBondContact O-N 3.4Å |
| 83 | A | 98.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 44.2 Ų | 44.2 | 48% | 0.479 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N81 L85 D86 E87 | N81-A83 VanDerWaalsContact C-N 3.29Å; N81-A83 PolarHBondContact O-N 3.17Å; N81-A83 PolarHBondContact OD1-N 3.08Å; A83-L85 VanDerWaalsContact C-N 3.33Å; A83-D86 PolarHBondContact O-N 3.46Å; A83-E87 WeakPolarHBondContact O-CG 3.3Å; A83-E87 PolarHBondContact O-N 2.91Å |
| 84 | S | 98.3 | Very high | 97.8 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.9 | -29.1 | 176.7 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | D78 N81 P82 M88 | D78-S84 PolarHBondContact N-OG 2.96Å; D78-S84 PolarHBondContact O-OG 3.3Å; N81-S84 PolarHBondContact O-N 3.11Å; N81-S84 PolarHBondContact O-OG 2.74Å; P82-S84 PolarHBondContact O-N 3.24Å; S84-M88 WeakPolarHBondContact O-CB 3.24Å; S84-M88 PolarHBondContact O-N 2.92Å; S84-M88 VanDerWaalsContact O-N 3.1Å |
| 85 | L | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.8 | -41.3 | 173.1 | -63.1 | 169.3 | 0 | 0 | 0 | 110.7 | F13 C77 I79 N81 P82 A83 M88 A89 P108 V109 A112 | F13-L85 HydrophobicContact CE1-CD2 3.95Å; F13-L85 HydrophobicContact CZ-CD2 3.86Å; C77-L85 VanDerWaalsContact SG-CD2 3.55Å; I79-L85 HydrophobicContact CD1-CD1 4.12Å; I79-L85 HydrophobicContact CD1-CD2 4.02Å; N81-L85 PolarHBondContact O-N 3.18Å; P82-L85 WeakPolarHBondContact O-CB 3.49Å; P82-L85 PolarHBondContact O-N 3.15Å; A83-L85 VanDerWaalsContact C-N 3.33Å; L85-M88 HydrophobicContact CD2-CE 4.44Å; L85-M88 PolarHBondContact O-N 3.2Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.18Å; L85-A89 PolarHBondContact O-N 3.14Å; L85-P108 HydrophobicContact CD1-CB 3.81Å; L85-V109 HydrophobicContact CD2-CG2 4.31Å; L85-A112 HydrophobicContact CB-CB 3.72Å |
| 86 | D | 98.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.9 | -67.5 | -31.6 | 0 | 0 | 0 | 111.3 | P82 A83 M88 A89 K90 N116 | P82-D86 PolarHBondContact O-N 3.4Å; A83-D86 PolarHBondContact O-N 3.46Å; D86-M88 VanDerWaalsContact C-N 3.33Å; D86-M88 PolarHBondContact O-N 3.29Å; D86-A89 PolarHBondContact O-N 3.31Å; D86-A89 VanDerWaalsContact O-N 3.16Å; D86-K90 WeakPolarHBondContact O-CG 3.32Å; D86-K90 PolarHBondContact O-N 3.14Å; D86-N116 PolarHBondContact OD1-ND2 3.32Å |
| 87 | E | 97.9 | Very high | 97.9 | Very high | 95 Ų | 95 | 36.6 Ų | 36.6 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -37.9 | 177.6 | -71.5 | -52 | 121.3 | 0 | 0 | 112.9 | A83 K90 Q91 | A83-E87 WeakPolarHBondContact O-CG 3.3Å; A83-E87 PolarHBondContact O-N 2.91Å; E87-K90 IonicContact OE1-NZ 2.76Å; E87-K90 PolarHBondContact OE1-NZ 2.83Å; E87-Q91 WeakPolarHBondContact O-CG 3.04Å; E87-Q91 PolarHBondContact O-NE2 2.64Å |
| 88 | M | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -46.2 | 172.2 | -178.4 | -172.6 | 69.8 | 0 | 0 | 111.3 | V11 F13 A45 I75 C77 S84 L85 D86 K90 Q91 A92 V95 | V11-M88 HydrophobicContact CG1-CG 3.89Å; V11-M88 HydrophobicContact CG1-SD 4.04Å; F13-M88 HydrophobicContact CB-CE 4.06Å; F13-M88 HydrophobicContact CB-SD 3.77Å; F13-M88 HydrophobicContact CD1-CE 4.07Å; F13-M88 HydrophobicContact CD1-SD 4.5Å; F13-M88 HydrophobicContact CD2-CE 4.2Å; F13-M88 HydrophobicContact CD2-SD 3.6Å; F13-M88 HydrophobicContact CE2-SD 4.34Å; F13-M88 HydrophobicContact CG-CE 3.85Å; F13-M88 HydrophobicContact CG-SD 3.71Å; A45-M88 HydrophobicContact CB-CG 4.23Å; A45-M88 HydrophobicContact CB-SD 3.55Å; A45-M88 VanDerWaalsContact CB-SD 3.55Å; I75-M88 HydrophobicContact CD1-CG 4.38Å; I75-M88 HydrophobicContact CG2-CB 4.08Å; I75-M88 HydrophobicContact CG2-CG 4.26Å; C77-M88 HydrophobicContact CB-CB 4.39Å; C77-M88 HydrophobicContact CB-SD 4.09Å; S84-M88 WeakPolarHBondContact O-CB 3.24Å; S84-M88 PolarHBondContact O-N 2.92Å; S84-M88 VanDerWaalsContact O-N 3.1Å; L85-M88 HydrophobicContact CD2-CE 4.44Å; L85-M88 PolarHBondContact O-N 3.2Å; D86-M88 VanDerWaalsContact C-N 3.33Å; D86-M88 PolarHBondContact O-N 3.29Å; M88-K90 PolarHBondContact O-N 2.82Å; M88-Q91 PolarHBondContact O-N 3.44Å; M88-A92 PolarHBondContact O-N 3.26Å; M88-V95 HydrophobicContact CE-CG1 3.89Å; M88-V95 HydrophobicContact CE-CG2 4.31Å |
| 89 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R6 L85 D86 Q91 A92 A112 N116 A118 | R6-A89 PolarHBondContact NH1-O 2.97Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.18Å; L85-A89 PolarHBondContact O-N 3.14Å; D86-A89 PolarHBondContact O-N 3.31Å; D86-A89 VanDerWaalsContact O-N 3.16Å; A89-Q91 PolarHBondContact O-N 3.13Å; A89-A92 PolarHBondContact O-N 3.15Å; A89-A112 HydrophobicContact CB-CB 4.42Å; A89-A112 WeakPolarHBondContact CB-O 3.43Å; A89-N116 HydrophobicContact CB-CB 3.85Å; A89-A118 HydrophobicContact CB-CB 4.46Å |
| 90 | K | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 36.3 Ų | 36.3 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.7 | -31.7 | 175.6 | -72.1 | 171.6 | -169.4 | 168 | 0 | 113.1 | R6 D86 E87 M88 N116 | R6-K90 PolarHBondContact NH1-O 3.25Å; D86-K90 WeakPolarHBondContact O-CG 3.32Å; D86-K90 PolarHBondContact O-N 3.14Å; E87-K90 IonicContact OE1-NZ 2.76Å; E87-K90 PolarHBondContact OE1-NZ 2.83Å; M88-K90 PolarHBondContact O-N 2.82Å; K90-N116 WeakPolarHBondContact CE-OD1 3.38Å; K90-N116 HydrophobicContact CG-CB 3.97Å; K90-N116 WeakPolarHBondContact CG-OD1 3.4Å |
| 91 | Q | 98.1 | Very high | 97.5 | Very high | 60 Ų | 60 | 33 Ų | 33 | 28% | 0.28 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -86.3 | -12.4 | -176.5 | -69.6 | 177.1 | 73.9 | 0 | 0 | 113.9 | P7 F8 I75 E87 M88 A89 | P7-Q91 WeakPolarHBondContact CD-O 3.48Å; P7-Q91 HydrophobicContact CG-CB 3.77Å; P7-Q91 HydrophobicContact CG-CG 3.95Å; P7-Q91 WeakPolarHBondContact CG-O 3.37Å; F8-Q91 HydrophobicContact CD2-CB 4.07Å; F8-Q91 HydrophobicContact CE2-CB 4.46Å; F8-Q91 PolarHBondContact N-O 3.14Å; I75-Q91 HydrophobicContact CD1-CB 4.32Å; E87-Q91 WeakPolarHBondContact O-CG 3.04Å; E87-Q91 PolarHBondContact O-NE2 2.64Å; M88-Q91 PolarHBondContact O-N 3.44Å; A89-Q91 PolarHBondContact O-N 3.13Å |
| 92 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R6 F8 V11 M88 A89 V95 A118 | R6-A92 VanDerWaalsContact CD-C 3.44Å; R6-A92 WeakPolarHBondContact CD-O 3.36Å; R6-A92 PolarHBondContact NH1-O 3.21Å; F8-A92 CarbonylContact O-C 3.53Å; F8-A92 WeakPolarHBondContact O-CA 3.29Å; V11-A92 HydrophobicContact CB-CB 3.99Å; V11-A92 HydrophobicContact CG2-CB 3.47Å; V11-A92 VanDerWaalsContact CG2-CB 3.47Å; M88-A92 PolarHBondContact O-N 3.26Å; A89-A92 PolarHBondContact O-N 3.15Å; A92-V95 HydrophobicContact CB-CG2 3.7Å; A92-A118 VanDerWaalsContact O-CB 3.29Å; A92-A118 WeakPolarHBondContact O-CB 3.5Å |
| 93 | T | 97.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 27.7 Ų | 27.7 | 29% | 0.294 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -45.7 | 164.2 | -54 | 0 | 0 | 0 | 0 | 110.3 | F8 H9 S119 L386 | F8-T93 PolarHBondContact O-N 2.77Å; F8-T93 PolarHBondContact O-OG1 2.91Å; H9-T93 WeakPolarHBondContact O-CB 3.36Å; T93-S119 PolarHBondContact O-N 2.91Å; T93-L386 HydrophobicContact CG2-CD2 3.84Å |
| 94 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.6 | 175.3 | -169 | 0 | 0 | 0 | 0 | 110.2 | H9 L10 V11 L96 S119 I121 L385 L386 | H9-V94 PolarHBondContact O-N 3.47Å; L10-V94 CarbonylContact C-O 3.55Å; L10-V94 WeakPolarHBondContact CA-O 3.37Å; L10-V94 HydrophobicContact CD2-CB 3.98Å; L10-V94 HydrophobicContact CD2-CG2 4.44Å; V11-V94 PolarHBondContact N-O 3.13Å; V94-L96 HydrophobicContact CG1-CD2 4.09Å; V94-S119 CarbonylContact C-O 3.52Å; V94-S119 WeakPolarHBondContact CA-O 3.35Å; V94-I121 HydrophobicContact CG1-CD1 4.13Å; V94-I121 HydrophobicContact CG1-CG1 4.03Å; V94-L385 HydrophobicContact CG1-CD2 4.24Å; V94-L385 HydrophobicContact CG2-CD2 3.48Å; V94-L385 VanDerWaalsContact CG2-CD2 3.48Å; V94-L386 HydrophobicContact CG2-CD2 3.83Å; V94-L386 HydrophobicContact CG2-CG 4.15Å |
| 95 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.9 | 169.9 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | V11 F13 M88 A92 N97 V109 S119 C120 I121 | V11-V95 WeakPolarHBondContact O-CA 3.28Å; F13-V95 HydrophobicContact CB-CG1 3.94Å; M88-V95 HydrophobicContact CE-CG1 3.89Å; M88-V95 HydrophobicContact CE-CG2 4.31Å; A92-V95 HydrophobicContact CB-CG2 3.7Å; V95-N97 PolarHBondContact O-N 2.95Å; V95-V109 HydrophobicContact CG1-CG1 4.3Å; V95-S119 PolarHBondContact N-O 2.96Å; V95-C120 WeakPolarHBondContact O-CA 3.5Å; V95-I121 PolarHBondContact O-N 3.19Å |
| 96 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 97.1 | 169.6 | -54.6 | -171.6 | 0 | 0 | 0 | 108.1 | V11 V12 F13 V23 V27 V94 C98 I121 M378 A382 | V11-L96 PolarHBondContact O-N 2.86Å; V12-L96 HydrophobicContact CG2-CD1 4.29Å; F13-L96 PolarHBondContact N-O 2.85Å; V23-L96 HydrophobicContact CG1-CD1 4.18Å; V27-L96 HydrophobicContact CG2-CD1 3.91Å; V94-L96 HydrophobicContact CG1-CD2 4.09Å; L96-C98 PolarHBondContact O-N 2.88Å; L96-I121 HydrophobicContact CD2-CB 3.98Å; L96-I121 HydrophobicContact CD2-CD1 4.47Å; L96-M378 HydrophobicContact CB-CE 3.55Å; L96-M378 HydrophobicContact CB-SD 4.19Å; L96-M378 HydrophobicContact CD2-CE 4.28Å; L96-M378 HydrophobicContact CG-CE 4.43Å; L96-A382 HydrophobicContact CD1-CB 4.45Å; L96-A382 HydrophobicContact CD2-CB 3.59Å |
| 97 | N | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.3 | -176.3 | -176.5 | 12.8 | 0 | 0 | 0 | 111.2 | V95 V99 Y102 V109 I121 D122 | V95-N97 PolarHBondContact O-N 2.95Å; N97-V99 WeakPolarHBondContact OD1-CB 3.45Å; N97-V99 PolarHBondContact OD1-N 3.01Å; N97-Y102 PolarHBondContact O-OH 3.31Å; N97-V109 HydrophobicContact CB-CG1 4.31Å; N97-I121 PolarHBondContact N-O 3.4Å; N97-D122 HydrophobicContact CB-CB 4.29Å |
| 98 | C | 97.9 | Very high | 96.7 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 11% | 0.108 | 16% | 0.162 | C | C | . | . | trans | -109.3 | 16.2 | 174.7 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | F13 L96 G100 | F13-C98 WeakPolarHBondContact O-CB 3.31Å; F13-C98 PolarHBondContact O-N 3.08Å; L96-C98 PolarHBondContact O-N 2.88Å; C98-G100 PolarHBondContact O-N 2.73Å | ||
| 99 | V | 95.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | trans | -93.9 | 93.3 | -175.8 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | F13 N97 Y105 | F13-V99 HydrophobicContact CD1-CB 4.33Å; F13-V99 HydrophobicContact CD1-CG2 3.54Å; F13-V99 HydrophobicContact CD2-CG2 4.41Å; F13-V99 HydrophobicContact CE1-CB 4.1Å; F13-V99 HydrophobicContact CE1-CG2 3.47Å; F13-V99 VanDerWaalsContact CE1-CG2 3.47Å; F13-V99 HydrophobicContact CE2-CG2 4.33Å; F13-V99 HydrophobicContact CG-CG2 4.03Å; F13-V99 HydrophobicContact CZ-CG2 3.9Å; N97-V99 WeakPolarHBondContact OD1-CB 3.45Å; N97-V99 PolarHBondContact OD1-N 3.01Å; V99-Y105 HydrophobicContact CG1-CG 4.41Å | ||
| 100 | G | 89.9 | Confident | 96.7 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 40% | 0.402 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -104.6 | 169.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | C98 | C98-G100 PolarHBondContact O-N 2.73Š|
| 101 | P | 93.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 31 Ų | 31 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | cis | -68.5 | 135.7 | -2.9 | -19.8 | 33.9 | 0 | 0 | 0 | 113.1 | R103 F104 Y105 K198 | P101-R103 PolarHBondContact O-N 2.85Å; P101-F104 HydrophobicContact CB-CD2 3.97Å; P101-F104 HydrophobicContact CB-CE2 4.31Å; P101-F104 HydrophobicContact CG-CD2 4.32Å; P101-F104 PolarHBondContact O-N 2.94Å; P101-Y105 WeakPolarHBondContact O-CD2 3.31Å; P101-Y105 PolarHBondContact O-N 2.83Å; P101-K198 HydrophobicContact CG-CB 4.11Å | ||
| 102 | Y | 94.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 5% | 0.051 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.9 | -29.2 | -165.3 | -70.1 | -85.8 | 0 | 0 | 0 | 113.2 | N97 F104 Y105 G106 D122 I123 S124 E126 F129 | N97-Y102 PolarHBondContact O-OH 3.31Å; Y102-F104 PolarHBondContact O-N 3.34Å; Y102-F104 VanDerWaalsContact O-N 3.09Å; Y102-Y105 PolarHBondContact O-N 3.5Å; Y102-G106 WeakPolarHBondContact O-CA 3.33Å; Y102-G106 PolarHBondContact O-N 2.81Å; Y102-D122 HydrophobicContact CD1-CB 4.27Å; Y102-D122 HydrophobicContact CE1-CB 3.73Å; Y102-I123 HydrophobicContact CE2-CG1 4.43Å; Y102-I123 WeakPolarHBondContact OH-CG1 3.45Å; Y102-S124 VanDerWaalsContact CD2-CB 3.46Å; Y102-E126 PolarHBondContact N-OE1 2.78Å; Y102-F129 HydrophobicContact CD1-CE1 4.39Å; Y102-F129 HydrophobicContact CG-CE1 4.39Å; Y102-F129 VanDerWaalsContact O-CD2 3.3Å; Y102-F129 WeakPolarHBondContact O-CD2 3.37Å; Y102-F129 WeakPolarHBondContact O-CE2 3.46Å |
| 103 | R | 93.5 | Very high | 96.8 | Very high | 43 Ų | 43 | 28.4 Ų | 28.4 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.1 | -28.7 | 172.3 | -177.7 | -176.3 | -36.1 | -98.1 | -19.5 | 114 | P101 E126 D206 | P101-R103 PolarHBondContact O-N 2.85Å; R103-E126 WeakPolarHBondContact CB-OE2 3.45Å; R103-E126 PolarHBondContact N-OE2 3.46Å; R103-E126 VanDerWaalsContact N-OE2 3.07Å; R103-E126 IonicContact NE-OE2 3.71Å; R103-E126 IonicContact NH2-OE2 2.63Å; R103-D206 IonicContact CZ-OD2 3.82Å; R103-D206 IonicContact NH1-OD2 2.64Å; R103-D206 PolarHBondContact NH1-OD2 3.4Å |
| 104 | F | 93.6 | Very high | 96.9 | Very high | 95 Ų | 95 | 26.4 Ų | 26.4 | 42% | 0.417 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -100.1 | -34.4 | -179.3 | -53.7 | -57.7 | 0 | 0 | 0 | 112.8 | P101 Y102 Y202 | P101-F104 HydrophobicContact CB-CD2 3.97Å; P101-F104 HydrophobicContact CB-CE2 4.31Å; P101-F104 HydrophobicContact CG-CD2 4.32Å; P101-F104 PolarHBondContact O-N 2.94Å; Y102-F104 PolarHBondContact O-N 3.34Å; Y102-F104 VanDerWaalsContact O-N 3.09Å; F104-Y202 HydrophobicContact CE2-CD1 4.1Å; F104-Y202 AromaticContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CE1 4.26Å; F104-Y202 AromaticContact CE2-CE2 3.76Å; F104-Y202 HydrophobicContact CE2-CE2 3.76Å; F104-Y202 AromaticContact CE2-CG 3.76Å; F104-Y202 HydrophobicContact CE2-CG 3.76Å; F104-Y202 AromaticContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD2 4.07Å; F104-Y202 AromaticContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE2 4.29Å; F104-Y202 AromaticContact CZ-CG 3.79Å; F104-Y202 HydrophobicContact CZ-CG 3.79Å |
| 105 | Y | 95.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -118.9 | -11.3 | -167.1 | -55 | -51.8 | 0 | 0 | 0 | 114.3 | I79 V99 P101 Y102 | I79-Y105 WeakPolarHBondContact CD1-O 3.31Å; I79-Y105 HydrophobicContact CG1-CD1 4.24Å; I79-Y105 HydrophobicContact CG2-CD1 4.31Å; V99-Y105 HydrophobicContact CG1-CG 4.41Å; P101-Y105 WeakPolarHBondContact O-CD2 3.31Å; P101-Y105 PolarHBondContact O-N 2.83Å; Y102-Y105 PolarHBondContact O-N 3.5Å |
| 106 | G | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -76.5 | -40.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y102 V109 I110 | Y102-G106 WeakPolarHBondContact O-CA 3.33Å; Y102-G106 PolarHBondContact O-N 2.81Å; G106-V109 WeakPolarHBondContact O-CB 3.49Å; G106-V109 PolarHBondContact O-N 2.72Å; G106-I110 PolarHBondContact O-N 2.89Å; G106-I110 VanDerWaalsContact O-N 3.13Å |
| 107 | E | 97.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 33.8 Ų | 33.8 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.4 | -44.7 | -174.1 | 175.3 | 170.5 | -160.4 | 0 | 0 | 113.8 | V109 I110 K111 M133 K136 Y137 | E107-V109 PolarHBondContact O-N 3.02Å; E107-I110 PolarHBondContact O-N 3.4Å; E107-K111 WeakPolarHBondContact O-CB 3.41Å; E107-K111 PolarHBondContact O-N 3.39Å; E107-M133 HydrophobicContact CB-CE 3.88Å; E107-M133 HydrophobicContact CB-SD 3.81Å; E107-M133 HydrophobicContact CG-CE 3.95Å; E107-M133 HydrophobicContact CG-SD 3.99Å; E107-K136 WeakPolarHBondContact OE1-CD 3.29Å; E107-K136 VanDerWaalsContact OE1-CE 3.26Å; E107-K136 WeakPolarHBondContact OE1-CE 3.4Å; E107-K136 IonicContact OE1-NZ 2.72Å; E107-K136 PolarHBondContact OE1-NZ 3.43Å; E107-Y137 HydrophobicContact CG-CE2 3.94Å; E107-Y137 WeakPolarHBondContact OE1-CE2 3.2Å; E107-Y137 PolarHBondContact OE1-OH 2.64Å |
| 108 | P | 98.3 | Very high | 96.7 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.1 | -36.1 | 176.3 | -26.3 | 35.2 | 0 | 0 | 0 | 113.3 | I79 L85 A112 | I79-P108 HydrophobicContact CD1-CB 4.27Å; L85-P108 HydrophobicContact CD1-CB 3.81Å; P108-A112 WeakPolarHBondContact O-CB 3.38Å; P108-A112 PolarHBondContact O-N 3.05Å; P108-A112 VanDerWaalsContact O-N 3.08Å |
| 109 | V | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.6 | -47.6 | 177.3 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | F13 I79 L85 V95 N97 G106 E107 K111 A112 C113 | F13-V109 HydrophobicContact CD1-CG1 4.29Å; F13-V109 HydrophobicContact CD1-CG2 3.96Å; F13-V109 HydrophobicContact CE1-CG2 3.63Å; I79-V109 HydrophobicContact CD1-CG2 3.41Å; I79-V109 VanDerWaalsContact CD1-CG2 3.41Å; L85-V109 HydrophobicContact CD2-CG2 4.31Å; V95-V109 HydrophobicContact CG1-CG1 4.3Å; N97-V109 HydrophobicContact CB-CG1 4.31Å; G106-V109 WeakPolarHBondContact O-CB 3.49Å; G106-V109 PolarHBondContact O-N 2.72Å; E107-V109 PolarHBondContact O-N 3.02Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 3.46Å; V109-A112 PolarHBondContact O-N 3.36Å; V109-C113 WeakPolarHBondContact O-CB 3.49Å; V109-C113 PolarHBondContact O-N 3.44Å; V109-C113 PolarHBondContact O-SG 3.3Å |
| 110 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 178.4 | -73 | 171.1 | 0 | 0 | 0 | 110.5 | G106 E107 C113 I114 F129 M133 Y137 I148 | G106-I110 PolarHBondContact O-N 2.89Å; G106-I110 VanDerWaalsContact O-N 3.13Å; E107-I110 PolarHBondContact O-N 3.4Å; I110-C113 PolarHBondContact O-N 2.97Å; I110-I114 HydrophobicContact CG2-CD1 3.68Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.34Å; I110-I114 PolarHBondContact O-N 3.11Å; I110-F129 HydrophobicContact CD1-CE1 4.39Å; I110-F129 HydrophobicContact CD1-CE2 4.25Å; I110-F129 HydrophobicContact CD1-CZ 3.58Å; I110-M133 HydrophobicContact CD1-CB 4.06Å; I110-M133 HydrophobicContact CD1-CG 3.51Å; I110-M133 HydrophobicContact CD1-SD 3.69Å; I110-Y137 HydrophobicContact CG2-CD2 4.13Å; I110-Y137 HydrophobicContact CG2-CG 4.2Å; I110-I148 HydrophobicContact CD1-CG2 3.85Å; I110-I148 HydrophobicContact CG1-CG2 3.91Å; I110-I148 HydrophobicContact CG2-CD1 4.27Å; I110-I148 HydrophobicContact CG2-CG1 4.27Å; I110-I148 HydrophobicContact CG2-CG2 4.2Å |
| 111 | K | 98.5 | Very high | 97.3 | Very high | 88 Ų | 88 | 30.6 Ų | 30.6 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.1 | -51.1 | 177.8 | -178.8 | -179.8 | 176 | -66 | 0 | 111.4 | E107 V109 C113 I114 E115 Y137 | E107-K111 WeakPolarHBondContact O-CB 3.41Å; E107-K111 PolarHBondContact O-N 3.39Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 3.46Å; K111-C113 VanDerWaalsContact C-N 3.32Å; K111-C113 PolarHBondContact O-N 2.88Å; K111-I114 PolarHBondContact O-N 3.07Å; K111-E115 WeakPolarHBondContact CE-OE1 3.42Å; K111-E115 HydrophobicContact CG-CG 4.44Å; K111-E115 WeakPolarHBondContact CG-OE1 3.46Å; K111-E115 IonicContact NZ-OE1 2.89Å; K111-E115 PolarHBondContact NZ-OE1 3.43Å; K111-E115 IonicContact NZ-OE2 2.7Å; K111-E115 PolarHBondContact NZ-OE2 2.89Å; K111-E115 WeakPolarHBondContact O-CB 3.5Å; K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 2.7Å; K111-Y137 HydrophobicContact CB-CE1 4.5Å |
| 112 | A | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L85 A89 P108 V109 N116 | L85-A112 HydrophobicContact CB-CB 3.72Å; A89-A112 HydrophobicContact CB-CB 4.42Å; A89-A112 WeakPolarHBondContact CB-O 3.43Å; P108-A112 WeakPolarHBondContact O-CB 3.38Å; P108-A112 PolarHBondContact O-N 3.05Å; P108-A112 VanDerWaalsContact O-N 3.08Å; V109-A112 PolarHBondContact O-N 3.36Å; A112-N116 WeakPolarHBondContact O-CB 3.45Å; A112-N116 PolarHBondContact O-N 3.22Å; A112-N116 PolarHBondContact O-ND2 3.37Å |
| 113 | C | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 176.5 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | V109 I110 K111 E115 N116 G117 A118 C120 | V109-C113 WeakPolarHBondContact O-CB 3.49Å; V109-C113 PolarHBondContact O-N 3.44Å; V109-C113 PolarHBondContact O-SG 3.3Å; I110-C113 PolarHBondContact O-N 2.97Å; K111-C113 VanDerWaalsContact C-N 3.32Å; K111-C113 PolarHBondContact O-N 2.88Å; C113-E115 PolarHBondContact O-N 3.34Å; C113-N116 CarbonylContact O-C 3.51Å; C113-N116 PolarHBondContact O-N 2.96Å; C113-G117 PolarHBondContact O-N 3.36Å; C113-A118 CarbonylContact C-O 3.49Å; C113-A118 HydrophobicContact CB-CB 4.2Å; C113-A118 WeakPolarHBondContact CB-O 3.41Å; C113-A118 PolarHBondContact O-N 3.18Å; C113-C120 HydrophobicContact CB-CB 4.16Å |
| 114 | I | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.036 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 179.4 | -65.5 | 168.1 | 0 | 0 | 0 | 111.5 | I110 K111 N116 G117 Y137 K140 A141 K144 V146 I148 | I110-I114 HydrophobicContact CG2-CD1 3.68Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.34Å; I110-I114 PolarHBondContact O-N 3.11Å; K111-I114 PolarHBondContact O-N 3.07Å; I114-N116 VanDerWaalsContact C-N 3.28Å; I114-N116 PolarHBondContact O-N 3.05Å; I114-G117 PolarHBondContact O-N 3.44Å; I114-Y137 HydrophobicContact CD1-CD1 3.71Å; I114-Y137 HydrophobicContact CD1-CG 3.91Å; I114-K140 HydrophobicContact CG2-CB 4.19Å; I114-A141 HydrophobicContact CD1-CB 4.05Å; I114-A141 HydrophobicContact CG1-CB 4.16Å; I114-K144 HydrophobicContact CG2-CB 4.44Å; I114-K144 HydrophobicContact CG2-CG 4.03Å; I114-V146 HydrophobicContact CB-CG2 4.45Å; I114-V146 HydrophobicContact CG1-CG2 4.04Å; I114-I148 HydrophobicContact CD1-CD1 4.36Å; I114-I148 HydrophobicContact CD1-CG1 4.12Å; I114-I148 HydrophobicContact CG1-CD1 3.91Å; I114-I148 HydrophobicContact CG1-CG1 4.1Å |
| 115 | E | 98.3 | Very high | 97.8 | Very high | 92 Ų | 92 | 25.4 Ų | 25.4 | 43% | 0.43 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.7 | -35.7 | -177.5 | -74.3 | 173.9 | 174.4 | 0 | 0 | 112.1 | K111 C113 | K111-E115 WeakPolarHBondContact CE-OE1 3.42Å; K111-E115 HydrophobicContact CG-CG 4.44Å; K111-E115 WeakPolarHBondContact CG-OE1 3.46Å; K111-E115 IonicContact NZ-OE1 2.89Å; K111-E115 PolarHBondContact NZ-OE1 3.43Å; K111-E115 IonicContact NZ-OE2 2.7Å; K111-E115 PolarHBondContact NZ-OE2 2.89Å; K111-E115 WeakPolarHBondContact O-CB 3.5Å; K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 2.7Å; C113-E115 PolarHBondContact O-N 3.34Å |
| 116 | N | 98.2 | Very high | 97.8 | Very high | 33 Ų | 33 | 20.9 Ų | 20.9 | 18% | 0.176 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 13.4 | -178.8 | -61.7 | -82.3 | 0 | 0 | 0 | 113.7 | R6 D86 A89 K90 A112 C113 I114 A118 | R6-N116 PolarHBondContact NH1-O 2.74Å; R6-N116 PolarHBondContact NH2-O 2.76Å; D86-N116 PolarHBondContact OD1-ND2 3.32Å; A89-N116 HydrophobicContact CB-CB 3.85Å; K90-N116 WeakPolarHBondContact CE-OD1 3.38Å; K90-N116 HydrophobicContact CG-CB 3.97Å; K90-N116 WeakPolarHBondContact CG-OD1 3.4Å; A112-N116 WeakPolarHBondContact O-CB 3.45Å; A112-N116 PolarHBondContact O-N 3.22Å; A112-N116 PolarHBondContact O-ND2 3.37Å; C113-N116 CarbonylContact O-C 3.51Å; C113-N116 PolarHBondContact O-N 2.96Å; I114-N116 VanDerWaalsContact C-N 3.28Å; I114-N116 PolarHBondContact O-N 3.05Å; N116-A118 PolarHBondContact O-N 3.46Å |
| 117 | G | 97.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 31% | 0.309 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 26 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R6 C113 I114 | R6-G117 VanDerWaalsContact NH2-C 3.3Å; R6-G117 PolarHBondContact NH2-O 3.15Å; C113-G117 PolarHBondContact O-N 3.36Å; I114-G117 PolarHBondContact O-N 3.44Å |
| 118 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -99.4 | 145.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A89 A92 C113 N116 | A89-A118 HydrophobicContact CB-CB 4.46Å; A92-A118 VanDerWaalsContact O-CB 3.29Å; A92-A118 WeakPolarHBondContact O-CB 3.5Å; C113-A118 CarbonylContact C-O 3.49Å; C113-A118 HydrophobicContact CB-CB 4.2Å; C113-A118 WeakPolarHBondContact CB-O 3.41Å; C113-A118 PolarHBondContact O-N 3.18Å; N116-A118 PolarHBondContact O-N 3.46Å | ||
| 119 | S | 98.7 | Very high | 97.4 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 155.7 | 167.1 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | T93 V94 V95 Y147 | T93-S119 PolarHBondContact O-N 2.91Å; V94-S119 CarbonylContact C-O 3.52Å; V94-S119 WeakPolarHBondContact CA-O 3.35Å; V95-S119 PolarHBondContact N-O 2.96Å; S119-Y147 CarbonylContact C-O 3.55Å; S119-Y147 WeakPolarHBondContact CA-O 3.28Å; S119-Y147 WeakPolarHBondContact CB-O 3.43Å; S119-Y147 PolarHBondContact OG-N 2.63Å |
| 120 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 133.1 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | V95 C113 Y147 I148 I149 | V95-C120 WeakPolarHBondContact O-CA 3.5Å; C113-C120 HydrophobicContact CB-CB 4.16Å; C120-Y147 PolarHBondContact N-O 3.19Å; C120-I148 HydrophobicContact CB-CD1 3.66Å; C120-I148 CarbonylContact O-C 3.54Å; C120-I148 WeakPolarHBondContact O-CA 3.46Å; C120-I149 PolarHBondContact O-N 2.99Å |
| 121 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.9 | 172.6 | -61.4 | -174.9 | 0 | 0 | 0 | 107.8 | V94 V95 L96 N97 I149 S152 M378 A381 A382 | V94-I121 HydrophobicContact CG1-CD1 4.13Å; V94-I121 HydrophobicContact CG1-CG1 4.03Å; V95-I121 PolarHBondContact O-N 3.19Å; L96-I121 HydrophobicContact CD2-CB 3.98Å; L96-I121 HydrophobicContact CD2-CD1 4.47Å; N97-I121 PolarHBondContact N-O 3.4Å; I121-I149 WeakPolarHBondContact CA-O 3.4Å; I121-I149 HydrophobicContact CG1-CB 4.29Å; I121-S152 WeakPolarHBondContact CG2-OG 3.35Å; I121-M378 HydrophobicContact CG2-CE 4.29Å; I121-M378 HydrophobicContact CG2-CG 4.03Å; I121-M378 WeakPolarHBondContact O-CE 3.49Å; I121-A381 HydrophobicContact CD1-CB 4.35Å; I121-A382 VanDerWaalsContact CD1-CA 3.5Å; I121-A382 HydrophobicContact CD1-CB 3.89Å |
| 122 | D | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 168.4 | 174.8 | 72.4 | 53.9 | 0 | 0 | 0 | 112.1 | N97 Y102 S124 I149 G150 S151 S152 | N97-D122 HydrophobicContact CB-CB 4.29Å; Y102-D122 HydrophobicContact CD1-CB 4.27Å; Y102-D122 HydrophobicContact CE1-CB 3.73Å; D122-S124 WeakPolarHBondContact OD1-CB 3.38Å; D122-S124 PolarHBondContact OD1-N 3.23Å; D122-I149 PolarHBondContact N-O 3.47Å; D122-I149 VanDerWaalsContact N-O 3.13Å; D122-G150 VanDerWaalsContact OD1-CA 3.31Å; D122-G150 WeakPolarHBondContact OD1-CA 3.44Å; D122-S151 PolarHBondContact O-N 3.14Å; D122-S151 PolarHBondContact OD1-N 2.74Å; D122-S152 WeakPolarHBondContact O-CA 3.23Å; D122-S152 WeakPolarHBondContact O-CB 3.25Å; D122-S152 PolarHBondContact O-N 3.06Å |
| 123 | I | 97.5 | Very high | 97 | Very high | 29 Ų | 29 | 18.3 Ų | 18.3 | 15% | 0.149 | 11% | 0.108 | C | C | . | . | trans | -113.3 | 33.3 | 176.3 | 56.6 | 169.6 | 0 | 0 | 0 | 111.1 | T19 Y102 G125 T374 M378 | T19-I123 HydrophobicContact CG2-CD1 3.44Å; T19-I123 VanDerWaalsContact CG2-CD1 3.44Å; Y102-I123 HydrophobicContact CE2-CG1 4.43Å; Y102-I123 WeakPolarHBondContact OH-CG1 3.45Å; I123-G125 PolarHBondContact O-N 3.06Å; I123-T374 HydrophobicContact CB-CG2 4.11Å; I123-T374 HydrophobicContact CD1-CG2 3.84Å; I123-T374 HydrophobicContact CG2-CG2 3.84Å; I123-M378 HydrophobicContact CG2-CB 3.89Å; I123-M378 HydrophobicContact CG2-CE 4.19Å; I123-M378 HydrophobicContact CG2-CG 3.84Å; I123-M378 HydrophobicContact CG2-SD 3.59Å; I123-M378 VanDerWaalsContact CG2-SD 3.59Å | ||
| 124 | S | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -71.1 | 126.3 | -175.5 | -177.2 | 0 | 0 | 0 | 0 | 112 | Y102 D122 E126 F129 S151 | Y102-S124 VanDerWaalsContact CD2-CB 3.46Å; D122-S124 WeakPolarHBondContact OD1-CB 3.38Å; D122-S124 PolarHBondContact OD1-N 3.23Å; S124-E126 PolarHBondContact OG-N 3.09Å; S124-F129 WeakPolarHBondContact OG-CD1 3.46Å; S124-S151 WeakPolarHBondContact O-CA 3.25Å; S124-S151 PolarHBondContact O-OG 2.62Å | ||
| 125 | G | 93.4 | Very high | 96.7 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 28% | 0.278 | 14% | 0.143 | S | C | . | . | trans | -97.1 | 25.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I123 P127 D155 | I123-G125 PolarHBondContact O-N 3.06Å; G125-P127 VanDerWaalsContact O-CD 3.31Å; G125-P127 WeakPolarHBondContact O-CD 3.41Å; G125-D155 VanDerWaalsContact CA-OD2 3.26Å; G125-D155 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 126 | E | 94.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | trans | -111.5 | 94.2 | -170.7 | -62 | 179.3 | -147.1 | 0 | 0 | 111.9 | Y102 R103 S124 Q128 F129 L130 S199 | Y102-E126 PolarHBondContact N-OE1 2.78Å; R103-E126 WeakPolarHBondContact CB-OE2 3.45Å; R103-E126 PolarHBondContact N-OE2 3.46Å; R103-E126 VanDerWaalsContact N-OE2 3.07Å; R103-E126 IonicContact NE-OE2 3.71Å; R103-E126 IonicContact NH2-OE2 2.63Å; S124-E126 PolarHBondContact OG-N 3.09Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.43Å; E126-Q128 VanDerWaalsContact O-N 3.08Å; E126-F129 HydrophobicContact CB-CB 4.12Å; E126-F129 WeakPolarHBondContact O-CB 3.36Å; E126-F129 PolarHBondContact O-N 3.31Å; E126-L130 WeakPolarHBondContact O-CG 3.21Å; E126-L130 PolarHBondContact O-N 3.27Å; E126-S199 WeakPolarHBondContact OE1-CB 3.36Å; E126-S199 PolarHBondContact OE1-OG 3.31Å | ||
| 127 | P | 94.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 25 Ų | 25 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53 | -37.8 | -173.2 | -32 | 36.8 | 0 | 0 | 0 | 115.6 | G125 L130 E131 L210 | G125-P127 VanDerWaalsContact O-CD 3.31Å; G125-P127 WeakPolarHBondContact O-CD 3.41Å; P127-L130 PolarHBondContact O-N 3.3Å; P127-E131 VanDerWaalsContact O-CB 3.32Å; P127-E131 WeakPolarHBondContact O-CB 3.37Å; P127-E131 WeakPolarHBondContact O-CG 3.34Å; P127-E131 PolarHBondContact O-N 2.86Å; P127-L210 HydrophobicContact CB-CD1 4.35Å; P127-L210 HydrophobicContact CB-CD2 4.05Å |
| 128 | Q | 94.4 | Very high | 96.6 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 13% | 0.126 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 179.4 | -178 | -83 | -13.9 | 0 | 0 | 111.9 | E126 L132 L210 | E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.43Å; E126-Q128 VanDerWaalsContact O-N 3.08Å; Q128-L132 WeakPolarHBondContact O-CB 3.37Å; Q128-L132 PolarHBondContact O-N 2.89Å; Q128-L210 HydrophobicContact CB-CB 4.14Å; Q128-L210 HydrophobicContact CB-CD1 4.1Å; Q128-L210 HydrophobicContact CG-CB 4.41Å |
| 129 | F | 95.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.3 | -50 | 176.4 | 165.8 | -99 | 0 | 0 | 0 | 109.7 | Y102 I110 S124 E126 E131 L132 M133 | Y102-F129 HydrophobicContact CD1-CE1 4.39Å; Y102-F129 HydrophobicContact CG-CE1 4.39Å; Y102-F129 VanDerWaalsContact O-CD2 3.3Å; Y102-F129 WeakPolarHBondContact O-CD2 3.37Å; Y102-F129 WeakPolarHBondContact O-CE2 3.46Å; I110-F129 HydrophobicContact CD1-CE1 4.39Å; I110-F129 HydrophobicContact CD1-CE2 4.25Å; I110-F129 HydrophobicContact CD1-CZ 3.58Å; S124-F129 WeakPolarHBondContact OG-CD1 3.46Å; E126-F129 HydrophobicContact CB-CB 4.12Å; E126-F129 WeakPolarHBondContact O-CB 3.36Å; E126-F129 PolarHBondContact O-N 3.31Å; F129-E131 PolarHBondContact O-N 3.11Å; F129-L132 PolarHBondContact O-N 2.78Å; F129-M133 HydrophobicContact CD1-CG 4.44Å; F129-M133 HydrophobicContact CD2-CE 4.41Å; F129-M133 HydrophobicContact CD2-CG 3.86Å; F129-M133 HydrophobicContact CD2-SD 4.35Å; F129-M133 HydrophobicContact CE1-CG 4.12Å; F129-M133 HydrophobicContact CE2-CE 4.35Å; F129-M133 HydrophobicContact CE2-CG 3.45Å; F129-M133 VanDerWaalsContact CE2-CG 3.45Å; F129-M133 HydrophobicContact CE2-SD 3.75Å; F129-M133 HydrophobicContact CG-CG 4.34Å; F129-M133 HydrophobicContact CZ-CG 3.62Å; F129-M133 HydrophobicContact CZ-SD 4.29Å; F129-M133 VanDerWaalsContact O-CG 3.29Å; F129-M133 WeakPolarHBondContact O-CG 3.46Å; F129-M133 PolarHBondContact O-N 3.41Å |
| 130 | L | 96.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | -177.1 | -65.6 | 165.4 | 0 | 0 | 0 | 112.7 | E126 P127 Q134 S151 V255 R258 | E126-L130 WeakPolarHBondContact O-CG 3.21Å; E126-L130 PolarHBondContact O-N 3.27Å; P127-L130 PolarHBondContact O-N 3.3Å; L130-Q134 PolarHBondContact O-N 3.32Å; L130-S151 WeakPolarHBondContact CD1-OG 3.49Å; L130-S151 VanDerWaalsContact CD2-OG 3.27Å; L130-S151 WeakPolarHBondContact CD2-OG 3.26Å; L130-V255 HydrophobicContact CD1-CG2 4.22Å; L130-R258 VanDerWaalsContact C-NH1 3.32Å; L130-R258 VanDerWaalsContact CB-NH1 3.32Å; L130-R258 PolarHBondContact O-NH1 3.07Å; L130-R258 PolarHBondContact O-NH2 2.76Å |
| 131 | E | 95.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 37 Ų | 37 | 14% | 0.14 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.5 | -36.1 | 177.6 | -72.9 | 175.5 | -140.9 | 0 | 0 | 111.8 | P127 F129 L135 L213 R214 S254 | P127-E131 VanDerWaalsContact O-CB 3.32Å; P127-E131 WeakPolarHBondContact O-CB 3.37Å; P127-E131 WeakPolarHBondContact O-CG 3.34Å; P127-E131 PolarHBondContact O-N 2.86Å; F129-E131 PolarHBondContact O-N 3.11Å; E131-L135 WeakPolarHBondContact O-CB 3.45Å; E131-L135 PolarHBondContact O-N 3.28Å; E131-L213 HydrophobicContact CB-CD2 3.69Å; E131-R214 IonicContact OE1-CZ 3.01Å; E131-R214 IonicContact OE1-NE 3.94Å; E131-R214 PolarHBondContact OE1-NE 3.09Å; E131-R214 IonicContact OE1-NH2 2.74Å; E131-R214 PolarHBondContact OE1-NH2 3.38Å; E131-R214 WeakPolarHBondContact OE2-CG 3.27Å; E131-R214 IonicContact OE2-CZ 2.69Å; E131-R214 IonicContact OE2-NE 3.37Å; E131-R214 PolarHBondContact OE2-NE 3.18Å; E131-R214 IonicContact OE2-NH2 3.85Å; E131-S254 PolarHBondContact OE1-OG 3.14Å |
| 132 | L | 96.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 25% | 0.251 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -67.7 | -43.2 | 179 | 177.9 | 64.4 | 0 | 0 | 0 | 111.2 | Q128 F129 Q134 L135 K136 L213 | Q128-L132 WeakPolarHBondContact O-CB 3.37Å; Q128-L132 PolarHBondContact O-N 2.89Å; F129-L132 PolarHBondContact O-N 2.78Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.48Å; L132-L135 PolarHBondContact O-N 3.02Å; L132-K136 WeakPolarHBondContact O-CB 3.34Å; L132-K136 PolarHBondContact O-N 3.47Å; L132-L213 HydrophobicContact CB-CD1 4.47Å; L132-L213 HydrophobicContact CB-CD2 3.95Å; L132-L213 HydrophobicContact CD1-CD1 3.92Å |
| 133 | M | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 179 | -66.5 | -56.5 | 95.2 | 0 | 0 | 111.1 | E107 I110 F129 K136 Y137 | E107-M133 HydrophobicContact CB-CE 3.88Å; E107-M133 HydrophobicContact CB-SD 3.81Å; E107-M133 HydrophobicContact CG-CE 3.95Å; E107-M133 HydrophobicContact CG-SD 3.99Å; I110-M133 HydrophobicContact CD1-CB 4.06Å; I110-M133 HydrophobicContact CD1-CG 3.51Å; I110-M133 HydrophobicContact CD1-SD 3.69Å; F129-M133 HydrophobicContact CD1-CG 4.44Å; F129-M133 HydrophobicContact CD2-CE 4.41Å; F129-M133 HydrophobicContact CD2-CG 3.86Å; F129-M133 HydrophobicContact CD2-SD 4.35Å; F129-M133 HydrophobicContact CE1-CG 4.12Å; F129-M133 HydrophobicContact CE2-CE 4.35Å; F129-M133 HydrophobicContact CE2-CG 3.45Å; F129-M133 VanDerWaalsContact CE2-CG 3.45Å; F129-M133 HydrophobicContact CE2-SD 3.75Å; F129-M133 HydrophobicContact CG-CG 4.34Å; F129-M133 HydrophobicContact CZ-CG 3.62Å; F129-M133 HydrophobicContact CZ-SD 4.29Å; F129-M133 VanDerWaalsContact O-CG 3.29Å; F129-M133 WeakPolarHBondContact O-CG 3.46Å; F129-M133 PolarHBondContact O-N 3.41Å; M133-K136 PolarHBondContact O-N 2.8Å; M133-Y137 HydrophobicContact CE-CD2 4.4Å; M133-Y137 HydrophobicContact CE-CE2 4.08Å; M133-Y137 WeakPolarHBondContact O-CB 3.48Å; M133-Y137 PolarHBondContact O-N 2.94Å; M133-Y137 HydrophobicContact SD-CD2 3.85Å; M133-Y137 HydrophobicContact SD-CE2 3.78Å |
| 134 | Q | 96.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 49 Ų | 49 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.3 | -48.8 | 174.1 | -176.1 | 177.7 | -5.9 | 0 | 0 | 111.7 | L130 L132 K136 H138 V398 | L130-Q134 PolarHBondContact O-N 3.32Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.48Å; Q134-K136 VanDerWaalsContact C-N 3.27Å; Q134-K136 PolarHBondContact O-N 3.3Å; Q134-H138 HydrophobicContact CG-CB 4.3Å; Q134-H138 WeakPolarHBondContact O-CB 3.24Å; Q134-H138 PolarHBondContact O-N 2.87Å; Q134-H138 VanDerWaalsContact O-N 3.14Å; Q134-V398 HydrophobicContact CB-CB 4.19Å; Q134-V398 HydrophobicContact CB-CG1 3.87Å; Q134-V398 HydrophobicContact CG-CB 4.34Å; Q134-V398 HydrophobicContact CG-CG1 4.46Å |
| 135 | L | 95.5 | Very high | 96.6 | Very high | 95 Ų | 95 | 51.2 Ų | 51.2 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.3 | -38.7 | -179.4 | -176.9 | 65.1 | 0 | 0 | 0 | 112.4 | E131 L132 L213 | E131-L135 WeakPolarHBondContact O-CB 3.45Å; E131-L135 PolarHBondContact O-N 3.28Å; L132-L135 PolarHBondContact O-N 3.02Å; L135-L213 HydrophobicContact CD2-CD1 3.55Å |
| 136 | K | 96.8 | Very high | 96.8 | Very high | 105 Ų | 105 | 50.2 Ų | 50.2 | 46% | 0.457 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -87.6 | -32.5 | -173.3 | -174.3 | 169.7 | 176.6 | 180 | 0 | 114 | E107 L132 M133 Q134 | E107-K136 WeakPolarHBondContact OE1-CD 3.29Å; E107-K136 VanDerWaalsContact OE1-CE 3.26Å; E107-K136 WeakPolarHBondContact OE1-CE 3.4Å; E107-K136 IonicContact OE1-NZ 2.72Å; E107-K136 PolarHBondContact OE1-NZ 3.43Å; L132-K136 WeakPolarHBondContact O-CB 3.34Å; L132-K136 PolarHBondContact O-N 3.47Å; M133-K136 PolarHBondContact O-N 2.8Å; Q134-K136 VanDerWaalsContact C-N 3.27Å; Q134-K136 PolarHBondContact O-N 3.3Å |
| 137 | Y | 98.3 | Very high | 97 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -123.2 | -4.5 | -165 | -66.1 | -74.8 | 0 | 0 | 0 | 115.3 | E107 I110 K111 I114 M133 E139 K140 A141 | E107-Y137 HydrophobicContact CG-CE2 3.94Å; E107-Y137 WeakPolarHBondContact OE1-CE2 3.2Å; E107-Y137 PolarHBondContact OE1-OH 2.64Å; I110-Y137 HydrophobicContact CG2-CD2 4.13Å; I110-Y137 HydrophobicContact CG2-CG 4.2Å; K111-Y137 HydrophobicContact CB-CE1 4.5Å; I114-Y137 HydrophobicContact CD1-CD1 3.71Å; I114-Y137 HydrophobicContact CD1-CG 3.91Å; M133-Y137 HydrophobicContact CE-CD2 4.4Å; M133-Y137 HydrophobicContact CE-CE2 4.08Å; M133-Y137 WeakPolarHBondContact O-CB 3.48Å; M133-Y137 PolarHBondContact O-N 2.94Å; M133-Y137 HydrophobicContact SD-CD2 3.85Å; M133-Y137 HydrophobicContact SD-CE2 3.78Å; Y137-E139 PolarHBondContact O-N 3.29Å; Y137-K140 HydrophobicContact CD1-CD 4.37Å; Y137-K140 PolarHBondContact O-N 3.48Å; Y137-A141 VanDerWaalsContact O-CB 3.32Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 2.89Å |
| 138 | H | 97.8 | Very high | 97.2 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.3 | -56.1 | -178.8 | -177.2 | 83 | 0 | 0 | 0 | 112.4 | Q134 K140 A141 A142 V398 F399 | Q134-H138 HydrophobicContact CG-CB 4.3Å; Q134-H138 WeakPolarHBondContact O-CB 3.24Å; Q134-H138 PolarHBondContact O-N 2.87Å; Q134-H138 VanDerWaalsContact O-N 3.14Å; H138-K140 PolarHBondContact O-N 3.33Å; H138-A141 PolarHBondContact O-N 3.01Å; H138-A142 PolarHBondContact O-N 3.11Å; H138-V398 HydrophobicContact CB-CB 4.39Å; H138-V398 HydrophobicContact CB-CG2 4.47Å; H138-V398 PolarHBondContact ND1-N 3.41Å; H138-V398 PolarHBondContact ND1-O 2.83Å; H138-F399 AromaticContact CE1-CE1 4Å |
| 139 | E | 97.8 | Very high | 97.4 | Very high | 129 Ų | 129 | 49.2 Ų | 49.2 | 60% | 0.603 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60 | -46.4 | 179.8 | -59 | -55.1 | 140.4 | 0 | 0 | 112.2 | Y137 A141 A142 D143 | Y137-E139 PolarHBondContact O-N 3.29Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 3.06Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 3.32Å; E139-A142 VanDerWaalsContact O-N 3.1Å; E139-D143 VanDerWaalsContact O-CG 3.31Å; E139-D143 PolarHBondContact O-N 3.45Å |
| 140 | K | 98.3 | Very high | 97.5 | Very high | 119 Ų | 119 | 49.3 Ų | 49.3 | 52% | 0.517 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | -179.6 | -67.8 | -175.6 | 176.9 | -175.4 | 0 | 112.8 | I114 Y137 H138 K144 | I114-K140 HydrophobicContact CG2-CB 4.19Å; Y137-K140 HydrophobicContact CD1-CD 4.37Å; Y137-K140 PolarHBondContact O-N 3.48Å; H138-K140 PolarHBondContact O-N 3.33Å; K140-K144 WeakPolarHBondContact O-CB 3.39Å; K140-K144 VanDerWaalsContact O-CG 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.31Å; K140-K144 PolarHBondContact O-N 2.94Å |
| 141 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.9 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I114 Y137 H138 E139 K144 G145 V146 I148 V398 | I114-A141 HydrophobicContact CD1-CB 4.05Å; I114-A141 HydrophobicContact CG1-CB 4.16Å; Y137-A141 VanDerWaalsContact O-CB 3.32Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 2.89Å; H138-A141 PolarHBondContact O-N 3.01Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 3.06Å; A141-K144 PolarHBondContact O-N 3.02Å; A141-G145 PolarHBondContact O-N 2.79Å; A141-V146 HydrophobicContact CB-CG2 4.02Å; A141-V146 PolarHBondContact O-N 3.02Å; A141-I148 HydrophobicContact CB-CG1 4.18Å; A141-V398 HydrophobicContact CB-CG2 4.5Å |
| 142 | A | 98.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -49.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H138 E139 K144 G145 A395 G396 | H138-A142 PolarHBondContact O-N 3.11Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 3.32Å; E139-A142 VanDerWaalsContact O-N 3.1Å; A142-K144 PolarHBondContact O-N 3.18Å; A142-G145 PolarHBondContact O-N 3.13Å; A142-A395 HydrophobicContact CB-CB 4.43Å; A142-G396 WeakPolarHBondContact CA-O 3.09Å; A142-G396 WeakPolarHBondContact CB-O 3.48Å |
| 143 | D | 98.1 | Very high | 97.7 | Very high | 136 Ų | 136 | 45.5 Ų | 45.5 | 73% | 0.727 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.4 | -35 | 176.9 | -69.9 | -22.1 | 0 | 0 | 0 | 112.4 | E139 | E139-D143 VanDerWaalsContact O-CG 3.31Å; E139-D143 PolarHBondContact O-N 3.45Å |
| 144 | K | 97.5 | Very high | 97.7 | Very high | 125 Ų | 125 | 46.9 Ų | 46.9 | 54% | 0.543 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -84.4 | -9.4 | 177.8 | -71.5 | -71.8 | -175.1 | 172.4 | 0 | 113.7 | I114 K140 A141 A142 V146 | I114-K144 HydrophobicContact CG2-CB 4.44Å; I114-K144 HydrophobicContact CG2-CG 4.03Å; K140-K144 WeakPolarHBondContact O-CB 3.39Å; K140-K144 VanDerWaalsContact O-CG 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.31Å; K140-K144 PolarHBondContact O-N 2.94Å; A141-K144 PolarHBondContact O-N 3.02Å; A142-K144 PolarHBondContact O-N 3.18Å; K144-V146 VanDerWaalsContact C-N 3.28Å; K144-V146 HydrophobicContact CB-CG1 4.42Å; K144-V146 HydrophobicContact CB-CG2 4.11Å; K144-V146 PolarHBondContact O-N 3.05Å |
| 145 | G | 97.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 46 Ų | 46 | 47% | 0.474 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 26.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A141 A142 | A141-G145 PolarHBondContact O-N 2.79Å; A142-G145 PolarHBondContact O-N 3.13Å |
| 146 | V | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | trans | -110 | 152.7 | 179.5 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | I114 A141 K144 G396 G397 | I114-V146 HydrophobicContact CB-CG2 4.45Å; I114-V146 HydrophobicContact CG1-CG2 4.04Å; A141-V146 HydrophobicContact CB-CG2 4.02Å; A141-V146 PolarHBondContact O-N 3.02Å; K144-V146 VanDerWaalsContact C-N 3.28Å; K144-V146 HydrophobicContact CB-CG1 4.42Å; K144-V146 HydrophobicContact CB-CG2 4.11Å; K144-V146 PolarHBondContact O-N 3.05Å; V146-G396 CarbonylContact O-C 3.58Å; V146-G396 WeakPolarHBondContact O-CA 3.43Å; V146-G397 PolarHBondContact O-N 2.96Å | ||
| 147 | Y | 98.7 | Very high | 97.4 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.4 | -178.2 | -60 | -93.4 | 0 | 0 | 0 | 110.8 | S119 C120 L385 L392 P393 A395 F399 | S119-Y147 CarbonylContact C-O 3.55Å; S119-Y147 WeakPolarHBondContact CA-O 3.28Å; S119-Y147 WeakPolarHBondContact CB-O 3.43Å; S119-Y147 PolarHBondContact OG-N 2.63Å; C120-Y147 PolarHBondContact N-O 3.19Å; Y147-L385 HydrophobicContact CD1-CD1 4.47Å; Y147-L385 HydrophobicContact CD2-CD1 4.05Å; Y147-L385 HydrophobicContact CG-CD1 3.81Å; Y147-L392 HydrophobicContact CD2-CD1 4.49Å; Y147-L392 HydrophobicContact CE1-CB 4.15Å; Y147-L392 HydrophobicContact CE1-CD1 4.32Å; Y147-L392 HydrophobicContact CE2-CD1 4.13Å; Y147-P393 HydrophobicContact CE1-CB 4.39Å; Y147-P393 PolarHBondContact OH-O 3.04Å; Y147-A395 WeakPolarHBondContact CE1-O 3.29Å; Y147-F399 HydrophobicContact CD1-CD2 4.01Å; Y147-F399 AromaticContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CE1-CE2 4.15Å |
| 148 | I | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 108.2 | 171.2 | -50.7 | -60.6 | 0 | 0 | 0 | 107.4 | I110 I114 C120 A141 G397 V398 F399 | I110-I148 HydrophobicContact CD1-CG2 3.85Å; I110-I148 HydrophobicContact CG1-CG2 3.91Å; I110-I148 HydrophobicContact CG2-CD1 4.27Å; I110-I148 HydrophobicContact CG2-CG1 4.27Å; I110-I148 HydrophobicContact CG2-CG2 4.2Å; I114-I148 HydrophobicContact CD1-CD1 4.36Å; I114-I148 HydrophobicContact CD1-CG1 4.12Å; I114-I148 HydrophobicContact CG1-CD1 3.91Å; I114-I148 HydrophobicContact CG1-CG1 4.1Å; C120-I148 HydrophobicContact CB-CD1 3.66Å; C120-I148 CarbonylContact O-C 3.54Å; C120-I148 WeakPolarHBondContact O-CA 3.46Å; A141-I148 HydrophobicContact CB-CG1 4.18Å; I148-G397 PolarHBondContact N-O 2.75Å; I148-V398 HydrophobicContact CB-CB 4.37Å; I148-V398 HydrophobicContact CB-CG1 4.35Å; I148-V398 HydrophobicContact CB-CG2 3.95Å; I148-V398 HydrophobicContact CG1-CG2 4.24Å; I148-V398 HydrophobicContact CG2-CG1 4.33Å; I148-V398 HydrophobicContact CG2-CG2 4.4Å; I148-V398 CarbonylContact O-C 3.38Å; I148-V398 VanDerWaalsContact O-CA 3.31Å; I148-V398 WeakPolarHBondContact O-CA 3.18Å; I148-F399 PolarHBondContact O-N 3.32Å |
| 149 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 103.6 | -174.6 | -47.6 | -179.7 | 0 | 0 | 0 | 109.4 | C120 I121 D122 S152 L385 F399 P401 A404 F405 | C120-I149 PolarHBondContact O-N 2.99Å; I121-I149 WeakPolarHBondContact CA-O 3.4Å; I121-I149 HydrophobicContact CG1-CB 4.29Å; D122-I149 PolarHBondContact N-O 3.47Å; D122-I149 VanDerWaalsContact N-O 3.13Å; I149-S152 WeakPolarHBondContact CG2-OG 3.31Å; I149-S152 PolarHBondContact O-OG 3.43Å; I149-L385 HydrophobicContact CD1-CD1 3.57Å; I149-F399 WeakPolarHBondContact CA-O 3.42Å; I149-P401 HydrophobicContact CG2-CG 4.48Å; I149-A404 HydrophobicContact CD1-CB 3.69Å; I149-A404 HydrophobicContact CG1-CB 4.25Å; I149-A404 HydrophobicContact CG2-CB 4.39Å; I149-F405 HydrophobicContact CD1-CE1 4.01Å; I149-F405 HydrophobicContact CD1-CE2 3.67Å; I149-F405 HydrophobicContact CD1-CZ 3.28Å; I149-F405 HydrophobicContact CG2-CE2 3.98Å |
| 150 | G | 97.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 7% | 0.072 | 15% | 0.149 | C | C | . | . | trans | -80.8 | 162.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D122 S152 F399 P401 | D122-G150 VanDerWaalsContact OD1-CA 3.31Å; D122-G150 WeakPolarHBondContact OD1-CA 3.44Å; G150-S152 VanDerWaalsContact C-N 3.26Å; G150-S152 PolarHBondContact O-N 3.22Å; G150-F399 PolarHBondContact N-O 3.21Å; G150-P401 VanDerWaalsContact O-CD 3.31Å; G150-P401 WeakPolarHBondContact O-CD 3.44Å; G150-P401 WeakPolarHBondContact O-CG 3.38Å | ||
| 151 | S | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | trans | 58.8 | 33 | 171.8 | -55.3 | 0 | 0 | 0 | 0 | 114.7 | D122 S124 L130 G153 D155 S156 P401 | D122-S151 PolarHBondContact O-N 3.14Å; D122-S151 PolarHBondContact OD1-N 2.74Å; S124-S151 WeakPolarHBondContact O-CA 3.25Å; S124-S151 PolarHBondContact O-OG 2.62Å; L130-S151 WeakPolarHBondContact CD1-OG 3.49Å; L130-S151 VanDerWaalsContact CD2-OG 3.27Å; L130-S151 WeakPolarHBondContact CD2-OG 3.26Å; S151-G153 PolarHBondContact O-N 3.24Å; S151-D155 WeakPolarHBondContact CB-O 3.35Å; S151-S156 PolarHBondContact O-N 3.38Å; S151-P401 WeakPolarHBondContact O-CG 3.42Å | ||
| 152 | S | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -85.6 | 40.2 | -179.8 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | I121 D122 I149 G150 A377 M378 | I121-S152 WeakPolarHBondContact CG2-OG 3.35Å; D122-S152 WeakPolarHBondContact O-CA 3.23Å; D122-S152 WeakPolarHBondContact O-CB 3.25Å; D122-S152 PolarHBondContact O-N 3.06Å; I149-S152 WeakPolarHBondContact CG2-OG 3.31Å; I149-S152 PolarHBondContact O-OG 3.43Å; G150-S152 VanDerWaalsContact C-N 3.26Å; G150-S152 PolarHBondContact O-N 3.22Å; S152-A377 CarbonylContact O-C 3.6Å; S152-M378 WeakPolarHBondContact O-CA 3.43Å; S152-M378 WeakPolarHBondContact O-CB 3.07Å; S152-M378 PolarHBondContact O-N 3.24Å; S152-M378 VanDerWaalsContact O-N 3.1Å | ||
| 153 | G | 97.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -127 | -160.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | S151 D155 S156 I157 | S151-G153 PolarHBondContact O-N 3.24Å; G153-D155 VanDerWaalsContact C-N 3.26Å; G153-D155 PolarHBondContact O-N 3.39Å; G153-S156 PolarHBondContact O-N 3.13Å; G153-S156 VanDerWaalsContact O-N 3.1Å; G153-I157 WeakPolarHBondContact O-CB 3.39Å; G153-I157 PolarHBondContact O-N 2.87Å |
| 154 | F | 96.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 14.5 Ų | 14.5 | 15% | 0.145 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38 | 172.2 | 173.5 | -95.9 | 0 | 0 | 0 | 112.6 | S156 P158 L181 I183 F336 A369 T374 | F154-S156 WeakPolarHBondContact O-CA 3.44Å; F154-S156 PolarHBondContact O-N 3.1Å; F154-S156 VanDerWaalsContact O-N 3.16Å; F154-P158 HydrophobicContact CD2-CG 3.92Å; F154-P158 HydrophobicContact CE2-CG 4.36Å; F154-P158 VanDerWaalsContact O-CD 3.3Å; F154-P158 WeakPolarHBondContact O-CD 3.39Å; F154-L181 HydrophobicContact CE1-CD2 4.15Å; F154-L181 HydrophobicContact CE2-CD1 4.41Å; F154-L181 HydrophobicContact CZ-CD1 3.69Å; F154-L181 HydrophobicContact CZ-CD2 3.91Å; F154-L181 HydrophobicContact CZ-CG 4.47Å; F154-I183 HydrophobicContact CZ-CD1 4.43Å; F154-F336 AromaticContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD2 4.5Å; F154-F336 AromaticContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE2 4.41Å; F154-F336 HydrophobicContact CD2-CG 4.25Å; F154-F336 HydrophobicContact CD2-CZ 4.07Å; F154-F336 HydrophobicContact CE2-CB 4.09Å; F154-F336 AromaticContact CE2-CD1 3.56Å; F154-F336 HydrophobicContact CE2-CD1 3.56Å; F154-F336 AromaticContact CE2-CD2 3.61Å; F154-F336 HydrophobicContact CE2-CD2 3.61Å; F154-F336 AromaticContact CE2-CE1 3.82Å; F154-F336 HydrophobicContact CE2-CE1 3.82Å; F154-F336 AromaticContact CE2-CE2 3.86Å; F154-F336 HydrophobicContact CE2-CE2 3.86Å; F154-F336 AromaticContact CE2-CG 3.46Å; F154-F336 HydrophobicContact CE2-CG 3.46Å; F154-F336 VanDerWaalsContact CE2-CG 3.46Å; F154-F336 AromaticContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CZ-CB 4.43Å; F154-F336 HydrophobicContact CZ-CD2 4.45Å; F154-F336 HydrophobicContact CZ-CG 4.25Å; F154-A369 HydrophobicContact CB-CB 4.35Å; F154-A369 WeakPolarHBondContact CB-O 3.48Å; F154-A369 HydrophobicContact CD1-CB 3.71Å; F154-A369 HydrophobicContact CD2-CB 3.7Å; F154-A369 HydrophobicContact CE1-CB 3.85Å; F154-A369 HydrophobicContact CE2-CB 3.87Å; F154-A369 HydrophobicContact CG-CB 3.62Å; F154-A369 HydrophobicContact CZ-CB 3.93Å; F154-T374 WeakPolarHBondContact CB-OG1 3.07Å; F154-T374 PolarHBondContact N-OG1 2.97Å |
| 155 | D | 88.6 | Confident | 97.6 | Very high | 42 Ų | 42 | 9.9 Ų | 9.9 | 23% | 0.225 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 57.5 | 169.8 | -163.6 | 3.2 | 0 | 0 | 0 | 109.1 | G125 S151 G153 S251 | G125-D155 VanDerWaalsContact CA-OD2 3.26Å; G125-D155 WeakPolarHBondContact CA-OD2 3.48Å; S151-D155 WeakPolarHBondContact CB-O 3.35Å; G153-D155 VanDerWaalsContact C-N 3.26Å; G153-D155 PolarHBondContact O-N 3.39Å; D155-S251 VanDerWaalsContact CG-OG 3.29Å; D155-S251 WeakPolarHBondContact OD1-CB 3.15Å; D155-S251 PolarHBondContact OD1-N 3.32Å; D155-S251 PolarHBondContact OD1-OG 3.2Å |
| 156 | S | 95.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | -176 | 0.8 | 86.9 | -80.1 | 0 | 0 | 0 | 0 | 113.4 | S151 G153 F154 A159 D160 S251 D252 | S151-S156 PolarHBondContact O-N 3.38Å; G153-S156 PolarHBondContact O-N 3.13Å; G153-S156 VanDerWaalsContact O-N 3.1Å; F154-S156 WeakPolarHBondContact O-CA 3.44Å; F154-S156 PolarHBondContact O-N 3.1Å; F154-S156 VanDerWaalsContact O-N 3.16Å; S156-A159 PolarHBondContact O-N 3.15Å; S156-A159 VanDerWaalsContact O-N 3.13Å; S156-D160 VanDerWaalsContact O-CB 3.3Å; S156-D160 WeakPolarHBondContact O-CB 3.39Å; S156-D160 PolarHBondContact O-N 2.86Å; S156-S251 PolarHBondContact OG-OG 2.8Å; S156-D252 WeakPolarHBondContact CA-OD1 3.4Å; S156-D252 WeakPolarHBondContact CB-OD1 3.49Å; S156-D252 WeakPolarHBondContact OG-CA 3.23Å; S156-D252 PolarHBondContact OG-N 2.97Å; S156-D252 PolarHBondContact OG-OD1 2.83Å | |
| 157 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -52 | -50.4 | -179.5 | -84.6 | 174.6 | 0 | 0 | 0 | 113 | G153 A159 D160 L161 A377 A381 P401 L414 | G153-I157 WeakPolarHBondContact O-CB 3.39Å; G153-I157 PolarHBondContact O-N 2.87Å; I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 2.96Å; I157-D160 PolarHBondContact O-N 2.84Å; I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CB 3.34Å; I157-L161 PolarHBondContact O-N 3.31Å; I157-A377 HydrophobicContact CB-CB 4.23Å; I157-A377 HydrophobicContact CD1-CB 3.84Å; I157-A377 HydrophobicContact CG2-CB 4.17Å; I157-A381 HydrophobicContact CD1-CB 4.14Å; I157-P401 HydrophobicContact CD1-CB 4.36Å; I157-P401 HydrophobicContact CG1-CB 3.61Å; I157-P401 HydrophobicContact CG1-CG 3.79Å; I157-L414 HydrophobicContact CG2-CD1 3.59Å |
| 158 | P | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -56.9 | -42.2 | 177.8 | -27.6 | 36.2 | 0 | 0 | 0 | 113.2 | F154 G162 F336 L338 F340 V364 | F154-P158 HydrophobicContact CD2-CG 3.92Å; F154-P158 HydrophobicContact CE2-CG 4.36Å; F154-P158 VanDerWaalsContact O-CD 3.3Å; F154-P158 WeakPolarHBondContact O-CD 3.39Å; P158-G162 VanDerWaalsContact O-CA 3.27Å; P158-G162 WeakPolarHBondContact O-CA 3.46Å; P158-G162 PolarHBondContact O-N 2.98Å; P158-F336 HydrophobicContact CB-CE2 4.2Å; P158-F336 HydrophobicContact CB-CZ 4.37Å; P158-F336 HydrophobicContact CG-CE2 4.37Å; P158-F336 HydrophobicContact CG-CZ 4.08Å; P158-L338 HydrophobicContact CB-CD2 4Å; P158-F340 WeakPolarHBondContact O-CZ 3.3Å; P158-V364 HydrophobicContact CB-CG1 4.06Å |
| 159 | A | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.3 | -47.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S156 I157 G162 V163 D252 L338 | S156-A159 PolarHBondContact O-N 3.15Å; S156-A159 VanDerWaalsContact O-N 3.13Å; I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 2.96Å; A159-G162 PolarHBondContact O-N 3.27Å; A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.3Å; A159-D252 HydrophobicContact CB-CB 3.85Å; A159-D252 WeakPolarHBondContact CB-OD2 3.46Å; A159-L338 HydrophobicContact CB-CD2 3.95Å |
| 160 | D | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.6 | -53.9 | -174.3 | -160.4 | 22.4 | 0 | 0 | 0 | 111.7 | S156 I157 G162 V163 I164 V255 V256 T259 G402 | S156-D160 VanDerWaalsContact O-CB 3.3Å; S156-D160 WeakPolarHBondContact O-CB 3.39Å; S156-D160 PolarHBondContact O-N 2.86Å; I157-D160 PolarHBondContact O-N 2.84Å; D160-G162 PolarHBondContact O-N 3.35Å; D160-V163 PolarHBondContact O-N 2.92Å; D160-I164 PolarHBondContact O-N 3.45Å; D160-V255 HydrophobicContact CB-CG1 4.1Å; D160-V255 WeakPolarHBondContact OD2-CG1 3.2Å; D160-V256 HydrophobicContact CB-CG2 4.32Å; D160-V256 WeakPolarHBondContact OD1-CA 3.5Å; D160-T259 WeakPolarHBondContact OD1-CB 3.21Å; D160-T259 WeakPolarHBondContact OD1-CG2 3.26Å; D160-T259 PolarHBondContact OD1-OG1 2.84Å; D160-T259 PolarHBondContact OD2-OG1 3.48Å; D160-G402 WeakPolarHBondContact OD2-CA 3.46Å; D160-G402 PolarHBondContact OD2-N 3.29Å |
| 161 | L | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.5 | -23.6 | 174.3 | -60.1 | -175.6 | 0 | 0 | 0 | 112.3 | I157 V163 I164 Y165 L410 I411 L414 F421 | I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CB 3.34Å; I157-L161 PolarHBondContact O-N 3.31Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 2.85Å; L161-I164 HydrophobicContact CD2-CG1 4.44Å; L161-I164 PolarHBondContact O-N 2.91Å; L161-Y165 VanDerWaalsContact O-CB 3.3Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 2.74Å; L161-L410 HydrophobicContact CD1-CB 4.37Å; L161-L410 HydrophobicContact CD1-CD2 3.59Å; L161-L410 HydrophobicContact CD1-CG 3.74Å; L161-I411 HydrophobicContact CB-CD1 4.32Å; L161-I411 HydrophobicContact CB-CG1 4.14Å; L161-I411 HydrophobicContact CD1-CG1 4.09Å; L161-L414 HydrophobicContact CD1-CD1 3.76Å; L161-F421 HydrophobicContact CB-CE1 4Å; L161-F421 HydrophobicContact CB-CZ 4.05Å |
| 162 | G | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P158 A159 D160 T166 | P158-G162 VanDerWaalsContact O-CA 3.27Å; P158-G162 WeakPolarHBondContact O-CA 3.46Å; P158-G162 PolarHBondContact O-N 2.98Å; A159-G162 PolarHBondContact O-N 3.27Å; D160-G162 PolarHBondContact O-N 3.35Å; G162-T166 WeakPolarHBondContact O-CB 3.47Å; G162-T166 PolarHBondContact O-N 3.13Å; G162-T166 PolarHBondContact O-OG1 3.44Å |
| 163 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.2 | -42.5 | 171.7 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | A159 D160 L161 T166 R167 V177 V256 V272 Y274 F340 | A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.3Å; D160-V163 PolarHBondContact O-N 2.92Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 2.85Å; V163-T166 PolarHBondContact O-N 3.34Å; V163-R167 PolarHBondContact O-N 3.19Å; V163-V177 HydrophobicContact CG2-CG1 4.23Å; V163-V256 HydrophobicContact CG2-CG1 4.12Å; V163-V256 HydrophobicContact CG2-CG2 4.44Å; V163-V272 HydrophobicContact CG1-CB 4.18Å; V163-V272 HydrophobicContact CG1-CG1 3.98Å; V163-Y274 HydrophobicContact CG2-CD2 3.74Å; V163-Y274 HydrophobicContact CG2-CE2 3.8Å; V163-F340 HydrophobicContact CG2-CD1 4.4Å; V163-F340 HydrophobicContact CG2-CE1 4.24Å |
| 164 | I | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 175.3 | -56.4 | -56.7 | 0 | 0 | 0 | 111 | D160 L161 T166 R167 N168 T259 L263 | D160-I164 PolarHBondContact O-N 3.45Å; L161-I164 HydrophobicContact CD2-CG1 4.44Å; L161-I164 PolarHBondContact O-N 2.91Å; I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 3.5Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.2Å; I164-N168 PolarHBondContact O-N 3.41Å; I164-N168 PolarHBondContact O-OD1 3.22Å; I164-T259 HydrophobicContact CD1-CG2 4.01Å; I164-L263 HydrophobicContact CD1-CD1 3.43Å; I164-L263 VanDerWaalsContact CD1-CD1 3.43Å |
| 165 | Y | 98.7 | Very high | 96.4 | Very high | 28 Ų | 28 | 24.8 Ų | 24.8 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 177.1 | -177.1 | -94.1 | 0 | 0 | 0 | 111.3 | L161 R167 N168 K169 T362 I411 F421 S422 V423 | L161-Y165 VanDerWaalsContact O-CB 3.3Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 2.74Å; Y165-R167 VanDerWaalsContact C-N 3.31Å; Y165-R167 PolarHBondContact O-N 3.46Å; Y165-N168 PolarHBondContact O-N 2.96Å; Y165-K169 HydrophobicContact CD1-CG 4.07Å; Y165-K169 HydrophobicContact CD2-CG 4.46Å; Y165-K169 HydrophobicContact CE1-CG 3.69Å; Y165-K169 HydrophobicContact CE2-CD 4.48Å; Y165-K169 VanDerWaalsContact CE2-CE 3.48Å; Y165-K169 HydrophobicContact CE2-CG 4.16Å; Y165-K169 HydrophobicContact CG-CG 4.44Å; Y165-K169 WeakPolarHBondContact O-CG 3.2Å; Y165-K169 PolarHBondContact O-N 3.26Å; Y165-T362 HydrophobicContact CD1-CG2 4.13Å; Y165-T362 HydrophobicContact CE1-CG2 4.15Å; Y165-I411 HydrophobicContact CD2-CD1 4.39Å; Y165-I411 HydrophobicContact CD2-CG2 4.02Å; Y165-I411 HydrophobicContact CE2-CG2 4.46Å; Y165-F421 HydrophobicContact CD1-CB 4.19Å; Y165-F421 HydrophobicContact CD1-CD1 4.38Å; Y165-F421 HydrophobicContact CD2-CB 3.72Å; Y165-F421 HydrophobicContact CD2-CD1 4.12Å; Y165-F421 HydrophobicContact CD2-CG 4.25Å; Y165-F421 HydrophobicContact CE1-CB 4.13Å; Y165-F421 HydrophobicContact CE2-CB 3.6Å; Y165-F421 HydrophobicContact CG-CB 3.99Å; Y165-F421 AromaticContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CG 4.35Å; Y165-F421 PolarHBondContact OH-O 3.28Å; Y165-F421 VanDerWaalsContact OH-O 3.07Å; Y165-S422 WeakPolarHBondContact OH-CA 3.46Å; Y165-V423 HydrophobicContact CE1-CG2 4.17Å |
| 166 | T | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | G162 V163 I164 M170 L174 V177 I360 T362 | G162-T166 WeakPolarHBondContact O-CB 3.47Å; G162-T166 PolarHBondContact O-N 3.13Å; G162-T166 PolarHBondContact O-OG1 3.44Å; V163-T166 PolarHBondContact O-N 3.34Å; I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 3.5Å; T166-M170 PolarHBondContact O-N 3.11Å; T166-L174 HydrophobicContact CG2-CD1 4.25Å; T166-L174 HydrophobicContact CG2-CD2 3.88Å; T166-V177 HydrophobicContact CG2-CG2 4.29Å; T166-I360 HydrophobicContact CG2-CG2 3.51Å; T166-T362 HydrophobicContact CG2-CG2 4.14Å; T166-T362 PolarHBondContact OG1-OG1 3.36Å |
| 167 | R | 97.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 23.1 Ų | 23.1 | 11% | 0.109 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.4 | -53.1 | 173.3 | 175.3 | -175.4 | -65.3 | 163.6 | 4.4 | 110.4 | V163 I164 Y165 K169 M170 L174 E269 S270 | V163-R167 PolarHBondContact O-N 3.19Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.2Å; Y165-R167 VanDerWaalsContact C-N 3.31Å; Y165-R167 PolarHBondContact O-N 3.46Å; R167-K169 PolarHBondContact O-N 3.22Å; R167-M170 PolarHBondContact O-N 3.22Å; R167-L174 HydrophobicContact CB-CB 4.48Å; R167-L174 HydrophobicContact CB-CD2 3.88Å; R167-E269 IonicContact CZ-OE2 3.73Å; R167-E269 IonicContact NH1-OE2 2.65Å; R167-E269 PolarHBondContact NH1-OE2 3.27Å; R167-S270 PolarHBondContact NH2-O 3.48Å; R167-S270 VanDerWaalsContact NH2-O 3.07Å |
| 168 | N | 96.6 | Very high | 96.9 | Very high | 102 Ų | 102 | 23.9 Ų | 23.9 | 55% | 0.545 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.2 | -23.7 | -174.4 | -66 | -3.8 | 0 | 0 | 0 | 113 | I164 Y165 | I164-N168 PolarHBondContact O-N 3.41Å; I164-N168 PolarHBondContact O-OD1 3.22Å; Y165-N168 PolarHBondContact O-N 2.96Å |
| 169 | K | 97.1 | Very high | 96.9 | Very high | 110 Ų | 110 | 23.9 Ų | 23.9 | 48% | 0.478 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -93 | -10.8 | 176.7 | -63.3 | -58.3 | -177.7 | -173.8 | 0 | 114.2 | Y165 R167 I360 V423 | Y165-K169 HydrophobicContact CD1-CG 4.07Å; Y165-K169 HydrophobicContact CD2-CG 4.46Å; Y165-K169 HydrophobicContact CE1-CG 3.69Å; Y165-K169 HydrophobicContact CE2-CD 4.48Å; Y165-K169 VanDerWaalsContact CE2-CE 3.48Å; Y165-K169 HydrophobicContact CE2-CG 4.16Å; Y165-K169 HydrophobicContact CG-CG 4.44Å; Y165-K169 WeakPolarHBondContact O-CG 3.2Å; Y165-K169 PolarHBondContact O-N 3.26Å; R167-K169 PolarHBondContact O-N 3.22Å; K169-I360 HydrophobicContact CB-CD1 3.87Å; K169-V423 HydrophobicContact CB-CG2 3.75Å; K169-V423 HydrophobicContact CD-CG2 4.14Å; K169-V423 HydrophobicContact CG-CG2 3.69Å |
| 170 | M | 94.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 5% | 0.054 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -83.3 | 123.8 | 174.6 | 179.9 | 173.4 | -74.3 | 0 | 0 | 109.9 | T166 R167 G172 L174 I358 I360 | T166-M170 PolarHBondContact O-N 3.11Å; R167-M170 PolarHBondContact O-N 3.22Å; M170-G172 VanDerWaalsContact C-N 3.28Å; M170-G172 PolarHBondContact O-N 3.4Å; M170-L174 HydrophobicContact CE-CB 4.43Å; M170-L174 HydrophobicContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact SD-CA 3.51Å; M170-L174 HydrophobicContact SD-CB 3.78Å; M170-L174 HydrophobicContact SD-CD1 3.93Å; M170-L174 HydrophobicContact SD-CG 4.48Å; M170-I358 HydrophobicContact CE-CB 4.33Å; M170-I358 HydrophobicContact CE-CG2 3.8Å; M170-I358 HydrophobicContact CG-CG2 4.16Å; M170-I358 HydrophobicContact SD-CB 4.46Å; M170-I358 HydrophobicContact SD-CG2 4.23Å; M170-I360 HydrophobicContact CB-CD1 4.4Å; M170-I360 HydrophobicContact CE-CB 4.04Å; M170-I360 HydrophobicContact CE-CG2 3.43Å; M170-I360 VanDerWaalsContact CE-CG2 3.43Å |
| 171 | N | 91.1 | Very high | 96.8 | Very high | 116 Ų | 116 | 24.4 Ų | 24.4 | 62% | 0.62 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -78.4 | 77.8 | 171.7 | -171.2 | 34 | 0 | 0 | 0 | 110.7 | I358 | N171-I358 WeakPolarHBondContact O-CD1 3.26Š|
| 172 | G | 91.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 25.8 Ų | 25.8 | 29% | 0.289 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.8 | -154.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M170 Y345 | M170-G172 VanDerWaalsContact C-N 3.28Å; M170-G172 PolarHBondContact O-N 3.4Å; G172-Y345 CarbonylContact C-O 3.54Å; G172-Y345 VanDerWaalsContact CA-O 3.24Å; G172-Y345 WeakPolarHBondContact CA-O 2.98Å |
| 173 | T | 93.5 | Very high | 96.6 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 28% | 0.276 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 109 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | T175 G344 Y345 | T173-T175 HydrophobicContact CG2-CG2 4.13Å; T173-G344 CarbonylContact O-C 3.52Å; T173-G344 WeakPolarHBondContact O-CA 3.38Å; T173-Y345 PolarHBondContact N-O 3.14Å; T173-Y345 PolarHBondContact O-N 3.31Å |
| 174 | L | 95.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 127.5 | 170.7 | -177.9 | 69.7 | 0 | 0 | 0 | 110 | T166 R167 M170 V177 V272 I360 | T166-L174 HydrophobicContact CG2-CD1 4.25Å; T166-L174 HydrophobicContact CG2-CD2 3.88Å; R167-L174 HydrophobicContact CB-CB 4.48Å; R167-L174 HydrophobicContact CB-CD2 3.88Å; M170-L174 HydrophobicContact CE-CB 4.43Å; M170-L174 HydrophobicContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact SD-CA 3.51Å; M170-L174 HydrophobicContact SD-CB 3.78Å; M170-L174 HydrophobicContact SD-CD1 3.93Å; M170-L174 HydrophobicContact SD-CG 4.48Å; L174-V177 HydrophobicContact CD1-CG2 3.9Å; L174-V177 HydrophobicContact CD2-CG2 3.63Å; L174-V177 HydrophobicContact CG-CG2 4.04Å; L174-V272 HydrophobicContact CB-CG2 4.16Å; L174-V272 HydrophobicContact CD2-CG1 4.18Å; L174-V272 HydrophobicContact CD2-CG2 3.86Å; L174-V272 HydrophobicContact CG-CG1 4.22Å; L174-V272 HydrophobicContact CG-CG2 3.86Å; L174-V272 WeakPolarHBondContact O-CG2 3.33Å; L174-I360 HydrophobicContact CD1-CG2 4.49Å |
| 175 | T | 95.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -25.7 | -176.5 | 55 | 0 | 0 | 0 | 0 | 114 | T173 I225 Q273 Q343 Y345 | T173-T175 HydrophobicContact CG2-CG2 4.13Å; T175-I225 HydrophobicContact CG2-CB 4.21Å; T175-I225 HydrophobicContact CG2-CG2 3.72Å; T175-Q273 WeakPolarHBondContact O-CB 3.08Å; T175-Q273 PolarHBondContact O-N 3.28Å; T175-Q343 PolarHBondContact N-O 2.87Å; T175-Q343 PolarHBondContact OG1-O 2.83Å; T175-Q343 VanDerWaalsContact OG1-O 3.1Å; T175-Y345 HydrophobicContact CG2-CD2 3.72Å; T175-Y345 HydrophobicContact CG2-CE2 3.74Å |
| 176 | A | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 144.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L229 Q273 G342 Q343 | A176-L229 HydrophobicContact CB-CB 4.3Å; A176-L229 HydrophobicContact CB-CD1 4.19Å; A176-L229 HydrophobicContact CB-CD2 4.47Å; A176-Q273 CarbonylContact C-O 3.59Å; A176-Q273 VanDerWaalsContact CA-O 3.3Å; A176-Q273 WeakPolarHBondContact CA-O 3.28Å; A176-Q273 HydrophobicContact CB-CB 4.2Å; A176-G342 CarbonylContact O-C 3.29Å; A176-G342 WeakPolarHBondContact O-CA 3.33Å; A176-Q343 PolarHBondContact N-O 3.26Å; A176-Q343 VanDerWaalsContact N-O 3.09Å; A176-Q343 PolarHBondContact O-N 3.27Å |
| 177 | V | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.4 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | V163 T166 L174 V272 Q273 Y274 A275 F340 F341 | V163-V177 HydrophobicContact CG2-CG1 4.23Å; T166-V177 HydrophobicContact CG2-CG2 4.29Å; L174-V177 HydrophobicContact CD1-CG2 3.9Å; L174-V177 HydrophobicContact CD2-CG2 3.63Å; L174-V177 HydrophobicContact CG-CG2 4.04Å; V177-V272 HydrophobicContact CB-CG1 4.1Å; V177-V272 HydrophobicContact CG2-CG1 3.66Å; V177-Q273 PolarHBondContact N-O 2.99Å; V177-Y274 HydrophobicContact CB-CD2 4.26Å; V177-Y274 HydrophobicContact CG1-CD2 4.18Å; V177-Y274 HydrophobicContact CG1-CE2 4.36Å; V177-Y274 WeakPolarHBondContact O-CA 3.44Å; V177-A275 PolarHBondContact O-N 3.42Å; V177-F340 HydrophobicContact CG1-CB 4.04Å; V177-F340 HydrophobicContact CG1-CD1 3.74Å; V177-F340 HydrophobicContact CG1-CG 4.4Å; V177-F341 WeakPolarHBondContact CA-O 3.39Å |
| 178 | E | 98.1 | Very high | 95.5 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.5 | 161.9 | -60.4 | -168.5 | 106.6 | 0 | 0 | 109.2 | F180 L229 R232 A275 Y277 F340 F341 | E178-F180 HydrophobicContact CB-CE2 3.68Å; E178-F180 HydrophobicContact CB-CZ 4.35Å; E178-L229 HydrophobicContact CG-CD1 3.98Å; E178-L229 HydrophobicContact CG-CD2 4.47Å; E178-R232 IonicContact OE1-NE 3.04Å; E178-R232 PolarHBondContact OE1-NE 3.22Å; E178-R232 IonicContact OE2-CZ 3.37Å; E178-R232 IonicContact OE2-NE 3.03Å; E178-R232 PolarHBondContact OE2-NE 3.41Å; E178-R232 IonicContact OE2-NH2 2.82Å; E178-R232 PolarHBondContact OE2-NH2 2.78Å; E178-A275 CarbonylContact C-O 3.1Å; E178-A275 WeakPolarHBondContact CA-O 3.45Å; E178-A275 HydrophobicContact CG-CB 4.48Å; E178-Y277 HydrophobicContact CB-CD2 4.48Å; E178-Y277 HydrophobicContact CB-CE2 4.07Å; E178-Y277 HydrophobicContact CG-CE2 4.11Å; E178-Y277 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y277 PolarHBondContact OE1-OH 3Å; E178-F340 CarbonylContact O-C 3.58Å; E178-F340 WeakPolarHBondContact O-CA 3.29Å; E178-F341 PolarHBondContact N-O 3.05Å; E178-F341 PolarHBondContact O-N 2.95Å |
| 179 | S | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.6 | 172.1 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | Y274 A275 Y277 T339 | S179-Y274 WeakPolarHBondContact OG-CE2 3.37Å; S179-Y274 PolarHBondContact OG-OH 2.84Å; S179-A275 PolarHBondContact N-O 3.19Å; S179-Y277 PolarHBondContact O-N 2.88Å; S179-T339 CarbonylContact C-O 3.26Å; S179-T339 VanDerWaalsContact CA-O 3.26Å; S179-T339 WeakPolarHBondContact CA-O 3.4Å |
| 180 | F | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 109.7 | -177.8 | -68.1 | -97 | 0 | 0 | 0 | 110 | E178 C238 L241 Y277 L338 T339 F341 | E178-F180 HydrophobicContact CB-CE2 3.68Å; E178-F180 HydrophobicContact CB-CZ 4.35Å; F180-C238 HydrophobicContact CD1-CB 4.46Å; F180-C238 HydrophobicContact CE1-CB 4.09Å; F180-L241 HydrophobicContact CB-CD1 3.32Å; F180-L241 HydrophobicContact CD1-CD1 3.99Å; F180-L241 HydrophobicContact CD2-CD1 4.39Å; F180-L241 HydrophobicContact CG-CD1 3.66Å; F180-Y277 CarbonylContact C-O 3.37Å; F180-Y277 WeakPolarHBondContact CA-O 3.14Å; F180-Y277 HydrophobicContact CD1-CD2 4.35Å; F180-Y277 HydrophobicContact CD1-CG 4.38Å; F180-Y277 AromaticContact CE1-CD2 3.82Å; F180-Y277 HydrophobicContact CE1-CD2 3.82Å; F180-Y277 AromaticContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE2-CD2 4.12Å; F180-Y277 AromaticContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CE2 4.16Å; F180-Y277 HydrophobicContact CZ-CG 4.29Å; F180-L338 WeakPolarHBondContact O-CA 3.12Å; F180-T339 PolarHBondContact N-O 3.26Å; F180-T339 PolarHBondContact O-N 2.85Å; F180-F341 AromaticContact CD2-CD2 3.58Å; F180-F341 HydrophobicContact CD2-CD2 3.58Å; F180-F341 AromaticContact CD2-CE2 3.7Å; F180-F341 HydrophobicContact CD2-CE2 3.7Å; F180-F341 AromaticContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CD2 3.57Å; F180-F341 AromaticContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CG-CE2 4.48Å |
| 181 | L | 98.1 | Very high | 95 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 127.3 | 175.7 | 174.9 | 58.3 | 0 | 0 | 0 | 110.5 | F154 I183 Y277 V278 T279 F336 L338 | F154-L181 HydrophobicContact CE1-CD2 4.15Å; F154-L181 HydrophobicContact CE2-CD1 4.41Å; F154-L181 HydrophobicContact CZ-CD1 3.69Å; F154-L181 HydrophobicContact CZ-CD2 3.91Å; F154-L181 HydrophobicContact CZ-CG 4.47Å; L181-I183 HydrophobicContact CD1-CD1 3.8Å; L181-I183 HydrophobicContact CD2-CD1 4.15Å; L181-I183 HydrophobicContact CD2-CG1 4.49Å; L181-I183 HydrophobicContact CG-CD1 4.1Å; L181-I183 HydrophobicContact CG-CG1 4.38Å; L181-Y277 PolarHBondContact N-O 2.94Å; L181-V278 HydrophobicContact CB-CG2 4.34Å; L181-V278 HydrophobicContact CD2-CG2 4.45Å; L181-V278 CarbonylContact O-C 3.46Å; L181-V278 WeakPolarHBondContact O-CA 3.35Å; L181-V278 WeakPolarHBondContact O-CG1 3.25Å; L181-T279 PolarHBondContact O-N 3.21Å; L181-F336 HydrophobicContact CD1-CB 4.17Å; L181-L338 HydrophobicContact CB-CD1 3.8Å; L181-L338 HydrophobicContact CD1-CD1 4.47Å |
| 182 | T | 97.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.8 | 167.7 | -55.3 | 0 | 0 | 0 | 0 | 108.4 | T279 F336 T337 | T182-T279 WeakPolarHBondContact OG1-CB 3.2Å; T182-F336 WeakPolarHBondContact O-CA 3.37Å; T182-T337 PolarHBondContact N-O 3.29Å; T182-T337 PolarHBondContact O-N 2.99Å |
| 183 | I | 96.1 | Very high | 95.3 | Very high | 66 Ų | 66 | 37.6 Ų | 37.6 | 34% | 0.338 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.5 | 171.4 | -56 | -62.7 | 0 | 0 | 0 | 108.3 | F154 L181 L190 F336 | F154-I183 HydrophobicContact CZ-CD1 4.43Å; L181-I183 HydrophobicContact CD1-CD1 3.8Å; L181-I183 HydrophobicContact CD2-CD1 4.15Å; L181-I183 HydrophobicContact CD2-CG1 4.49Å; L181-I183 HydrophobicContact CG-CD1 4.1Å; L181-I183 HydrophobicContact CG-CG1 4.38Å; I183-L190 HydrophobicContact CB-CD1 4.4Å; I183-L190 HydrophobicContact CG2-CD1 3.55Å; I183-L190 HydrophobicContact CG2-CD2 4Å; I183-L190 HydrophobicContact CG2-CG 4.44Å; I183-F336 HydrophobicContact CD1-CB 3.85Å |
| 184 | H | 96.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 36 Ų | 36 | 37% | 0.366 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.5 | 175.1 | -51.3 | -73.7 | 0 | 0 | 0 | 108.9 | A334 S335 T337 | H184-A334 VanDerWaalsContact O-CA 3.3Å; H184-A334 WeakPolarHBondContact O-CA 3.25Å; H184-S335 WeakPolarHBondContact CB-OG 3.28Å; H184-S335 PolarHBondContact N-O 2.79Å; H184-S335 PolarHBondContact O-N 3.16Å; H184-T337 PolarHBondContact NE2-OG1 2.86Å |
| 185 | S | 94.7 | Very high | 95 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | trans | -132.2 | 148.8 | -177.1 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 186 | G | 93.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | trans | -74.1 | -177.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E188 G189 A333 | G186-E188 PolarHBondContact O-N 3.48Å; G186-G189 PolarHBondContact O-N 3.12Å; G186-A333 PolarHBondContact N-O 3.07Å | ||
| 187 | P | 93.4 | Very high | 94.6 | Very high | 140 Ų | 140 | 41.3 Ų | 41.3 | 91% | 0.909 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.6 | 178.9 | -24.9 | 34.7 | 0 | 0 | 0 | 114.4 | G189 | P187-G189 PolarHBondContact O-N 3.27Š|
| 188 | E | 91.5 | Very high | 94.3 | Very high | 124 Ų | 124 | 43.9 Ų | 43.9 | 58% | 0.579 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 2.7 | 178.3 | -59.3 | -64.5 | 158.2 | 0 | 0 | 113.2 | G186 Q330 | G186-E188 PolarHBondContact O-N 3.48Å; E188-Q330 HydrophobicContact CB-CG 3.7Å; E188-Q330 PolarHBondContact O-NE2 2.81Å |
| 189 | G | 91.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | trans | 72.2 | -158.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G186 P187 | G186-G189 PolarHBondContact O-N 3.12Å; P187-G189 PolarHBondContact O-N 3.27Å | ||
| 190 | L | 91.7 | Very high | 93.6 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 28% | 0.277 | 27% | 0.27 | S | S | . | . | trans | -118.9 | 146.9 | -179.2 | -65.9 | 167 | 0 | 0 | 0 | 110.4 | I183 Y320 A334 | I183-L190 HydrophobicContact CB-CD1 4.4Å; I183-L190 HydrophobicContact CG2-CD1 3.55Å; I183-L190 HydrophobicContact CG2-CD2 4Å; I183-L190 HydrophobicContact CG2-CG 4.44Å; L190-Y320 HydrophobicContact CB-CD1 4.42Å; L190-A334 HydrophobicContact CD2-CB 3.94Å | ||
| 191 | S | 93 | Very high | 93.4 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | trans | -146.4 | 143.3 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 109.2 | Y320 G325 P326 | S191-Y320 CarbonylContact C-O 3.14Å; S191-Y320 WeakPolarHBondContact CA-O 3.37Å; S191-G325 PolarHBondContact OG-O 2.84Å; S191-P326 WeakPolarHBondContact O-CB 3.24Å; S191-P326 WeakPolarHBondContact O-CG 3.48Å | ||
| 192 | I | 93.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 48.2 Ų | 48.2 | 29% | 0.292 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.6 | -179.6 | -55.2 | 173.2 | 0 | 0 | 0 | 107.8 | T196 Y320 F321 S322 Y371 | I192-T196 HydrophobicContact CG2-CG2 4.25Å; I192-Y320 PolarHBondContact N-O 2.92Å; I192-F321 HydrophobicContact CB-CD1 3.65Å; I192-F321 HydrophobicContact CB-CE1 3.65Å; I192-F321 HydrophobicContact CB-CG 4.43Å; I192-F321 HydrophobicContact CB-CZ 4.41Å; I192-F321 HydrophobicContact CD1-CE1 4.02Å; I192-F321 HydrophobicContact CD1-CZ 4Å; I192-F321 HydrophobicContact CG1-CE1 4.42Å; I192-F321 HydrophobicContact CG2-CD1 3.81Å; I192-F321 HydrophobicContact CG2-CE1 3.55Å; I192-F321 CarbonylContact O-C 3.18Å; I192-F321 WeakPolarHBondContact O-CA 3.47Å; I192-S322 PolarHBondContact O-N 3.33Å; I192-Y371 WeakPolarHBondContact CG2-OH 3.2Å |
| 193 | H | 95.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 146.7 | 175.6 | -176.1 | -94.7 | 0 | 0 | 0 | 111.8 | F18 G195 T196 S322 K323 Y371 | F18-H193 HydrophobicContact CB-CB 4.45Å; F18-H193 HydrophobicContact CD1-CB 3.54Å; F18-H193 AromaticContact CD1-CD2 3.97Å; F18-H193 AromaticContact CD1-CG 3.71Å; F18-H193 AromaticContact CD2-CD2 3.45Å; F18-H193 VanDerWaalsContact CD2-CD2 3.45Å; F18-H193 WeakPolarHBondContact CD2-CD2 3.44Å; F18-H193 HydrophobicContact CE1-CB 3.87Å; F18-H193 HydrophobicContact CG-CB 3.91Å; F18-H193 AromaticContact CG-CD2 3.39Å; F18-H193 WeakPolarHBondContact CG-CD2 3.48Å; F18-H193 AromaticContact CG-CG 3.52Å; F18-H193 AromaticContact CG-NE2 3.96Å; H193-G195 PolarHBondContact ND1-N 3.34Å; H193-G195 VanDerWaalsContact ND1-N 3.18Å; H193-G195 PolarHBondContact O-N 3.01Å; H193-T196 PolarHBondContact O-N 3.35Å; H193-S322 CarbonylContact C-O 3.51Å; H193-S322 WeakPolarHBondContact CA-O 3.43Å; H193-K323 PolarHBondContact CD2-O 3.49Å; H193-K323 PolarHBondContact NE2-O 3.06Å; H193-Y371 HydrophobicContact CB-CE1 4.41Å; H193-Y371 WeakPolarHBondContact CB-OH 3.3Å; H193-Y371 PolarHBondContact N-OH 2.89Å |
| 194 | D | 92.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.059 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.4 | -12.3 | -174.4 | 86.5 | -15.6 | 0 | 0 | 0 | 114.9 | W197 K198 P313 S322 K323 | D194-W197 WeakPolarHBondContact O-CB 3.36Å; D194-W197 PolarHBondContact O-N 3.46Å; D194-K198 WeakPolarHBondContact O-CG 3.23Å; D194-K198 PolarHBondContact O-N 2.93Å; D194-K198 IonicContact OD1-NZ 3.31Å; D194-K198 PolarHBondContact OD1-NZ 2.95Å; D194-K198 VanDerWaalsContact OD2-CE 3.25Å; D194-K198 WeakPolarHBondContact OD2-CE 3.49Å; D194-K198 IonicContact OD2-NZ 2.93Å; D194-K198 PolarHBondContact OD2-NZ 2.99Å; D194-P313 HydrophobicContact CB-CB 4.28Å; D194-P313 HydrophobicContact CB-CG 4.16Å; D194-S322 PolarHBondContact N-O 3.2Å; D194-K323 HydrophobicContact CB-CG 4.37Å |
| 195 | G | 90.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H193 W197 K198 S199 | H193-G195 PolarHBondContact ND1-N 3.34Å; H193-G195 VanDerWaalsContact ND1-N 3.18Å; H193-G195 PolarHBondContact O-N 3.01Å; G195-W197 VanDerWaalsContact C-N 3.29Å; G195-W197 PolarHBondContact O-N 2.93Å; G195-K198 PolarHBondContact O-N 3.31Å; G195-S199 PolarHBondContact O-N 2.89Å; G195-S199 VanDerWaalsContact O-N 3.09Å |
| 196 | T | 90.8 | Very high | 91.3 | Very high | 74 Ų | 74 | 43 Ų | 43 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 177 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | I192 H193 S199 A200 F321 | I192-T196 HydrophobicContact CG2-CG2 4.25Å; H193-T196 PolarHBondContact O-N 3.35Å; T196-S199 PolarHBondContact O-N 3.41Å; T196-A200 PolarHBondContact O-N 3.11Å; T196-F321 HydrophobicContact CG2-CE1 4.02Å |
| 197 | W | 93.1 | Very high | 90.8 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 175.9 | -173.5 | -121.9 | 0 | 0 | 0 | 112.4 | D194 G195 A200 I201 F296 L309 P313 F316 F321 | D194-W197 WeakPolarHBondContact O-CB 3.36Å; D194-W197 PolarHBondContact O-N 3.46Å; G195-W197 VanDerWaalsContact C-N 3.29Å; G195-W197 PolarHBondContact O-N 2.93Å; W197-A200 PolarHBondContact O-N 2.96Å; W197-I201 HydrophobicContact CD2-CD1 4.3Å; W197-I201 HydrophobicContact CG-CD1 4.08Å; W197-I201 VanDerWaalsContact O-CG1 3.27Å; W197-I201 WeakPolarHBondContact O-CG1 3.48Å; W197-I201 PolarHBondContact O-N 3.37Å; W197-F296 HydrophobicContact CE3-CE2 4.31Å; W197-F296 AromaticContact CH2-CD2 3.27Å; W197-F296 HydrophobicContact CH2-CD2 3.27Å; W197-F296 AromaticContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CG 4.32Å; W197-F296 AromaticContact CZ2-CD2 3.77Å; W197-F296 HydrophobicContact CZ2-CD2 3.77Å; W197-F296 AromaticContact CZ2-CE2 3.87Å; W197-F296 HydrophobicContact CZ2-CE2 3.87Å; W197-F296 AromaticContact CZ3-CD2 3.87Å; W197-F296 HydrophobicContact CZ3-CD2 3.87Å; W197-F296 AromaticContact CZ3-CE2 3.76Å; W197-F296 HydrophobicContact CZ3-CE2 3.76Å; W197-L309 HydrophobicContact CZ2-CB 4.45Å; W197-L309 HydrophobicContact CZ2-CD2 4.04Å; W197-L309 PolarHBondContact NE1-O 3.22Å; W197-P313 HydrophobicContact CG-CB 4.45Å; W197-F316 HydrophobicContact CZ2-CB 4.3Å; W197-F321 HydrophobicContact CB-CB 4.06Å; W197-F321 HydrophobicContact CB-CD1 3.6Å; W197-F321 HydrophobicContact CB-CE1 4.13Å; W197-F321 HydrophobicContact CB-CG 3.83Å; W197-F321 HydrophobicContact CD2-CB 4.42Å; W197-F321 HydrophobicContact CD2-CD2 4.11Å; W197-F321 HydrophobicContact CD2-CG 4.16Å; W197-F321 HydrophobicContact CE3-CD1 4.38Å; W197-F321 AromaticContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CD2 3.49Å; W197-F321 VanDerWaalsContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CE1 4.41Å; W197-F321 AromaticContact CE3-CE2 3.54Å; W197-F321 HydrophobicContact CE3-CE2 3.54Å; W197-F321 AromaticContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CZ 4.02Å; W197-F321 HydrophobicContact CG-CB 4.22Å; W197-F321 HydrophobicContact CG-CD1 4.4Å; W197-F321 HydrophobicContact CG-CG 4.17Å; W197-F321 AromaticContact CZ3-CD2 3.96Å; W197-F321 HydrophobicContact CZ3-CD2 3.96Å; W197-F321 AromaticContact CZ3-CE2 3.89Å; W197-F321 HydrophobicContact CZ3-CE2 3.89Å |
| 198 | K | 92.3 | Very high | 90.5 | Very high | 56 Ų | 56 | 44 Ų | 44 | 24% | 0.243 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 175.7 | -71.3 | 165.4 | -171.2 | 150.2 | 0 | 111.1 | P101 D194 G195 A200 I201 Y202 I310 | P101-K198 HydrophobicContact CG-CB 4.11Å; D194-K198 WeakPolarHBondContact O-CG 3.23Å; D194-K198 PolarHBondContact O-N 2.93Å; D194-K198 IonicContact OD1-NZ 3.31Å; D194-K198 PolarHBondContact OD1-NZ 2.95Å; D194-K198 VanDerWaalsContact OD2-CE 3.25Å; D194-K198 WeakPolarHBondContact OD2-CE 3.49Å; D194-K198 IonicContact OD2-NZ 2.93Å; D194-K198 PolarHBondContact OD2-NZ 2.99Å; G195-K198 PolarHBondContact O-N 3.31Å; K198-A200 VanDerWaalsContact C-N 3.29Å; K198-A200 PolarHBondContact O-N 3.41Å; K198-I201 PolarHBondContact O-N 3.49Å; K198-Y202 HydrophobicContact CB-CD2 4.48Å; K198-Y202 HydrophobicContact CB-CE2 4.49Å; K198-Y202 WeakPolarHBondContact O-CD2 3.12Å; K198-Y202 PolarHBondContact O-N 3.26Å; K198-I310 HydrophobicContact CG-CG1 4.31Å; K198-I310 HydrophobicContact CG-CG2 4.4Å |
| 199 | S | 90.3 | Very high | 90.3 | Very high | 25 Ų | 25 | 41.1 Ų | 41.1 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.9 | -41 | 176.1 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | E126 G195 T196 G203 | E126-S199 WeakPolarHBondContact OE1-CB 3.36Å; E126-S199 PolarHBondContact OE1-OG 3.31Å; G195-S199 PolarHBondContact O-N 2.89Å; G195-S199 VanDerWaalsContact O-N 3.09Å; T196-S199 PolarHBondContact O-N 3.41Å; S199-G203 PolarHBondContact O-N 3.5Å |
| 200 | A | 92 | Very high | 90.1 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -50.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T196 W197 K198 Y202 G203 F204 F296 | T196-A200 PolarHBondContact O-N 3.11Å; W197-A200 PolarHBondContact O-N 2.96Å; K198-A200 VanDerWaalsContact C-N 3.29Å; K198-A200 PolarHBondContact O-N 3.41Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.91Å; A200-G203 PolarHBondContact O-N 2.7Å; A200-F204 VanDerWaalsContact O-CD2 3.28Å; A200-F204 WeakPolarHBondContact O-CD2 3.32Å; A200-F204 PolarHBondContact O-N 2.89Å; A200-F296 HydrophobicContact CB-CZ 4.28Å |
| 201 | I | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.5 | -49.3 | 179.7 | -69 | 163.7 | 0 | 0 | 0 | 111.3 | W197 K198 G205 F296 V300 R306 L309 I310 | W197-I201 HydrophobicContact CD2-CD1 4.3Å; W197-I201 HydrophobicContact CG-CD1 4.08Å; W197-I201 VanDerWaalsContact O-CG1 3.27Å; W197-I201 WeakPolarHBondContact O-CG1 3.48Å; W197-I201 PolarHBondContact O-N 3.37Å; K198-I201 PolarHBondContact O-N 3.49Å; I201-G205 PolarHBondContact O-N 3.07Å; I201-F296 HydrophobicContact CG1-CE2 3.7Å; I201-F296 HydrophobicContact CG1-CZ 4.11Å; I201-V300 HydrophobicContact CG2-CG2 4.4Å; I201-V300 WeakPolarHBondContact O-CG1 3.46Å; I201-R306 HydrophobicContact CG2-CB 3.89Å; I201-R306 HydrophobicContact CG2-CG 3.72Å; I201-L309 HydrophobicContact CD1-CB 3.47Å; I201-L309 VanDerWaalsContact CD1-CB 3.47Å; I201-L309 HydrophobicContact CD1-CD1 4.37Å; I201-L309 HydrophobicContact CG1-CB 4.09Å; I201-L309 HydrophobicContact CG1-CD1 4.07Å; I201-I310 HydrophobicContact CD1-CG1 3.68Å |
| 202 | Y | 92 | Very high | 89.9 | Confident | 65 Ų | 65 | 53 Ų | 53 | 26% | 0.255 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72 | -36.8 | -179.6 | -70.6 | -63.9 | 0 | 0 | 0 | 112.2 | F104 K198 A200 G205 D206 I310 | F104-Y202 HydrophobicContact CE2-CD1 4.1Å; F104-Y202 AromaticContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CE1 4.26Å; F104-Y202 AromaticContact CE2-CE2 3.76Å; F104-Y202 HydrophobicContact CE2-CE2 3.76Å; F104-Y202 AromaticContact CE2-CG 3.76Å; F104-Y202 HydrophobicContact CE2-CG 3.76Å; F104-Y202 AromaticContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD2 4.07Å; F104-Y202 AromaticContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE2 4.29Å; F104-Y202 AromaticContact CZ-CG 3.79Å; F104-Y202 HydrophobicContact CZ-CG 3.79Å; K198-Y202 HydrophobicContact CB-CD2 4.48Å; K198-Y202 HydrophobicContact CB-CE2 4.49Å; K198-Y202 WeakPolarHBondContact O-CD2 3.12Å; K198-Y202 PolarHBondContact O-N 3.26Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.91Å; Y202-G205 PolarHBondContact O-N 2.98Å; Y202-D206 WeakPolarHBondContact O-CB 3.4Å; Y202-D206 PolarHBondContact O-N 3.17Å; Y202-D206 VanDerWaalsContact O-N 3.08Å; Y202-I310 HydrophobicContact CE2-CD1 3.91Å; Y202-I310 WeakPolarHBondContact OH-CD1 3.22Å |
| 203 | G | 88.7 | Confident | 89.8 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 24% | 0.237 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S199 A200 D206 | S199-G203 PolarHBondContact O-N 3.5Å; A200-G203 PolarHBondContact O-N 2.7Å; G203-D206 PolarHBondContact O-N 2.8Å |
| 204 | F | 88 | Confident | 89.7 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 21% | 0.211 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.2 | -32.8 | 175.4 | -81.5 | -93.4 | 0 | 0 | 0 | 112.4 | A200 D206 M249 F296 L297 V300 | A200-F204 VanDerWaalsContact O-CD2 3.28Å; A200-F204 WeakPolarHBondContact O-CD2 3.32Å; A200-F204 PolarHBondContact O-N 2.89Å; F204-D206 PolarHBondContact O-N 3.05Å; F204-M249 HydrophobicContact CE1-CE 3.44Å; F204-M249 VanDerWaalsContact CE1-CE 3.44Å; F204-M249 HydrophobicContact CE1-SD 3.93Å; F204-M249 HydrophobicContact CZ-CB 3.85Å; F204-M249 HydrophobicContact CZ-CE 3.87Å; F204-M249 HydrophobicContact CZ-SD 3.9Å; F204-F296 HydrophobicContact CB-CE1 4.06Å; F204-F296 HydrophobicContact CD1-CE1 4.41Å; F204-F296 AromaticContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CZ 4.31Å; F204-F296 HydrophobicContact CE2-CE1 4.33Å; F204-F296 AromaticContact CG-CE1 3.85Å; F204-F296 HydrophobicContact CG-CE1 3.85Å; F204-L297 HydrophobicContact CD1-CD2 3.7Å; F204-L297 HydrophobicContact CE1-CD2 4.12Å; F204-V300 HydrophobicContact CB-CG1 3.88Å |
| 205 | G | 86.6 | Confident | 89.4 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -17.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I201 Y202 V300 | I201-G205 PolarHBondContact O-N 3.07Å; Y202-G205 PolarHBondContact O-N 2.98Å; G205-V300 VanDerWaalsContact N-CG1 3.32Å |
| 206 | D | 83.9 | Confident | 89.4 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 16% | 0.16 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 19.7 | -170.1 | -158.9 | 42.1 | 0 | 0 | 0 | 114.1 | R103 Y202 G203 F204 S208 N209 L210 | R103-D206 IonicContact CZ-OD2 3.82Å; R103-D206 IonicContact NH1-OD2 2.64Å; R103-D206 PolarHBondContact NH1-OD2 3.4Å; Y202-D206 WeakPolarHBondContact O-CB 3.4Å; Y202-D206 PolarHBondContact O-N 3.17Å; Y202-D206 VanDerWaalsContact O-N 3.08Å; G203-D206 PolarHBondContact O-N 2.8Å; F204-D206 PolarHBondContact O-N 3.05Å; D206-S208 PolarHBondContact O-N 3.39Å; D206-S208 VanDerWaalsContact O-N 3.16Å; D206-N209 PolarHBondContact O-N 3Å; D206-N209 VanDerWaalsContact O-N 3.14Å; D206-N209 WeakPolarHBondContact OD1-CB 3.32Å; D206-N209 PolarHBondContact OD1-ND2 3.02Å; D206-L210 PolarHBondContact O-N 2.82Å |
| 207 | Q | 83.1 | Confident | 89 | Confident | 105 Ų | 105 | 59.6 Ų | 59.6 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.3 | -29.4 | -179.9 | -71.1 | -174.7 | -3.6 | 0 | 0 | 113.7 | L210 R211 | Q207-L210 PolarHBondContact O-N 2.92Å; Q207-R211 PolarHBondContact O-N 3.18Å; Q207-R211 VanDerWaalsContact O-N 3.07Å |
| 208 | S | 86.6 | Confident | 88.4 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 178.4 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | D206 R211 K212 | D206-S208 PolarHBondContact O-N 3.39Å; D206-S208 VanDerWaalsContact O-N 3.16Å; S208-R211 PolarHBondContact O-N 2.93Å; S208-K212 WeakPolarHBondContact O-CG 3.32Å; S208-K212 PolarHBondContact O-N 3.29Å |
| 209 | N | 87.1 | Confident | 88.1 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 34% | 0.337 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72.9 | -35.5 | 178 | -75.1 | -30.7 | 0 | 0 | 0 | 111.9 | D206 R211 K212 L213 | D206-N209 PolarHBondContact O-N 3Å; D206-N209 VanDerWaalsContact O-N 3.14Å; D206-N209 WeakPolarHBondContact OD1-CB 3.32Å; D206-N209 PolarHBondContact OD1-ND2 3.02Å; N209-R211 VanDerWaalsContact C-N 3.31Å; N209-R211 PolarHBondContact O-N 3.23Å; N209-K212 PolarHBondContact O-N 3.34Å; N209-L213 WeakPolarHBondContact O-CB 3.46Å; N209-L213 PolarHBondContact O-N 3.44Å |
| 210 | L | 88.3 | Confident | 88 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 169.4 | 178.3 | 59.6 | 0 | 0 | 0 | 111.7 | P127 Q128 D206 Q207 L213 R214 | P127-L210 HydrophobicContact CB-CD1 4.35Å; P127-L210 HydrophobicContact CB-CD2 4.05Å; Q128-L210 HydrophobicContact CB-CB 4.14Å; Q128-L210 HydrophobicContact CB-CD1 4.1Å; Q128-L210 HydrophobicContact CG-CB 4.41Å; D206-L210 PolarHBondContact O-N 2.82Å; Q207-L210 PolarHBondContact O-N 2.92Å; L210-L213 PolarHBondContact O-N 3.24Å; L210-R214 HydrophobicContact CD1-CG 4.49Å; L210-R214 WeakPolarHBondContact O-CG 3Å; L210-R214 PolarHBondContact O-N 3.46Å |
| 211 | R | 89.6 | Confident | 87.8 | Confident | 182 Ų | 182 | 78.7 Ų | 78.7 | 69% | 0.687 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 176.2 | -173.9 | 178.4 | 179.6 | -176.2 | -1.5 | 111.8 | Q207 S208 N209 R214 N215 | Q207-R211 PolarHBondContact O-N 3.18Å; Q207-R211 VanDerWaalsContact O-N 3.07Å; S208-R211 PolarHBondContact O-N 2.93Å; N209-R211 VanDerWaalsContact C-N 3.31Å; N209-R211 PolarHBondContact O-N 3.23Å; R211-R214 PolarHBondContact O-N 3.06Å; R211-N215 VanDerWaalsContact O-CG 3.27Å; R211-N215 PolarHBondContact O-N 3.07Å; R211-N215 PolarHBondContact O-OD1 3.01Å |
| 212 | K | 91.5 | Very high | 87.7 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 58% | 0.578 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 175.5 | -72.4 | 175.5 | -175.4 | 175.2 | 0 | 111.6 | S208 N209 R214 N215 A216 | S208-K212 WeakPolarHBondContact O-CG 3.32Å; S208-K212 PolarHBondContact O-N 3.29Å; N209-K212 PolarHBondContact O-N 3.34Å; K212-R214 PolarHBondContact O-N 3.02Å; K212-N215 PolarHBondContact O-N 3.16Å; K212-A216 WeakPolarHBondContact O-CB 3.35Å; K212-A216 PolarHBondContact O-N 3.25Å |
| 213 | L | 91.9 | Very high | 87.7 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 177.5 | 178.1 | 66.5 | 0 | 0 | 0 | 111.7 | E131 L132 L135 N209 L210 N215 A216 S217 | E131-L213 HydrophobicContact CB-CD2 3.69Å; L132-L213 HydrophobicContact CB-CD1 4.47Å; L132-L213 HydrophobicContact CB-CD2 3.95Å; L132-L213 HydrophobicContact CD1-CD1 3.92Å; L135-L213 HydrophobicContact CD2-CD1 3.55Å; N209-L213 WeakPolarHBondContact O-CB 3.46Å; N209-L213 PolarHBondContact O-N 3.44Å; L210-L213 PolarHBondContact O-N 3.24Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 3.35Å; L213-A216 PolarHBondContact O-N 3.38Å; L213-S217 PolarHBondContact O-N 3.07Å |
| 214 | R | 91.5 | Very high | 87.8 | Confident | 115 Ų | 115 | 83.9 Ų | 83.9 | 43% | 0.434 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 178 | -73.1 | 173.9 | 176.5 | 168.3 | -0.8 | 113.5 | E131 L210 R211 K212 S217 | E131-R214 IonicContact OE1-CZ 3.01Å; E131-R214 IonicContact OE1-NE 3.94Å; E131-R214 PolarHBondContact OE1-NE 3.09Å; E131-R214 IonicContact OE1-NH2 2.74Å; E131-R214 PolarHBondContact OE1-NH2 3.38Å; E131-R214 WeakPolarHBondContact OE2-CG 3.27Å; E131-R214 IonicContact OE2-CZ 2.69Å; E131-R214 IonicContact OE2-NE 3.37Å; E131-R214 PolarHBondContact OE2-NE 3.18Å; E131-R214 IonicContact OE2-NH2 3.85Å; L210-R214 HydrophobicContact CD1-CG 4.49Å; L210-R214 WeakPolarHBondContact O-CG 3Å; L210-R214 PolarHBondContact O-N 3.46Å; R211-R214 PolarHBondContact O-N 3.06Å; K212-R214 PolarHBondContact O-N 3.02Å; R214-S217 PolarHBondContact O-OG 2.76Å; R214-S217 VanDerWaalsContact O-OG 3.07Å |
| 215 | N | 88.4 | Confident | 87.8 | Confident | 109 Ų | 109 | 83.4 Ų | 83.4 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -72.1 | -37.5 | 174.4 | -69.3 | -7.8 | 0 | 0 | 0 | 111.2 | R211 K212 L213 N218 | R211-N215 VanDerWaalsContact O-CG 3.27Å; R211-N215 PolarHBondContact O-N 3.07Å; R211-N215 PolarHBondContact O-OD1 3.01Å; K212-N215 PolarHBondContact O-N 3.16Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 3.35Å; N215-N218 PolarHBondContact O-OD1 3.44Å |
| 216 | A | 88.2 | Confident | 87.9 | Confident | 69 Ų | 69 | 83.2 Ų | 83.2 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -74.1 | -25 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K212 L213 N218 | K212-A216 WeakPolarHBondContact O-CB 3.35Å; K212-A216 PolarHBondContact O-N 3.25Å; L213-A216 PolarHBondContact O-N 3.38Å; A216-N218 PolarHBondContact O-N 2.75Å |
| 217 | S | 82.9 | Confident | 88.2 | Confident | 28 Ų | 28 | 85 Ų | 85 | 20% | 0.196 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.4 | -178.4 | 69.1 | 0 | 0 | 0 | 0 | 113.9 | L213 R214 L219 | L213-S217 PolarHBondContact O-N 3.07Å; R214-S217 PolarHBondContact O-OG 2.76Å; R214-S217 VanDerWaalsContact O-OG 3.07Å; S217-L219 PolarHBondContact O-N 3.41Å |
| 218 | N | 81.4 | Confident | 88.6 | Confident | 145 Ų | 145 | 87.8 Ų | 87.8 | 78% | 0.775 | 46% | 0.46 | S | S | * | . | trans | 49.9 | 22.5 | -179.5 | -66.9 | -37 | 0 | 0 | 0 | 114.5 | N215 A216 K220 | N215-N218 PolarHBondContact O-OD1 3.44Å; A216-N218 PolarHBondContact O-N 2.75Å; N218-K220 PolarHBondContact O-N 2.75Å | ||
| 219 | L | 85.5 | Confident | 88.9 | Confident | 100 Ų | 100 | 85.8 Ų | 85.8 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 124.8 | -177.6 | -67 | 175.8 | 0 | 0 | 0 | 110.2 | S217 | S217-L219 PolarHBondContact O-N 3.41Š|
| 220 | K | 87.4 | Confident | 89.1 | Confident | 171 Ų | 171 | 91.7 Ų | 91.7 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 141.5 | 173.6 | -68.1 | -178.8 | -179.6 | 175.7 | 0 | 110.1 | N218 V222 R261 | N218-K220 PolarHBondContact O-N 2.75Å; K220-V222 PolarHBondContact O-N 3.04Å; K220-R261 PolarHBondContact O-NH1 3.29Å; K220-R261 PolarHBondContact O-NH2 2.88Å |
| 221 | P | 88.1 | Confident | 89.2 | Confident | 117 Ų | 117 | 99.2 Ų | 99.2 | 76% | 0.76 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 141.1 | 173.5 | -24.5 | 34.4 | 0 | 0 | 0 | 111.6 | ||
| 222 | V | 90.9 | Very high | 89.4 | Confident | 37 Ų | 37 | 93.9 Ų | 93.9 | 22% | 0.224 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 134.1 | 170.7 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | K220 R261 P271 | K220-V222 PolarHBondContact O-N 3.04Å; V222-R261 HydrophobicContact CG2-CB 3.75Å; V222-R261 HydrophobicContact CG2-CG 4.26Å; V222-P271 HydrophobicContact CG1-CB 3.32Å; V222-P271 HydrophobicContact CG1-CG 3.73Å |
| 223 | P | 91.4 | Very high | 89.4 | Confident | 48 Ų | 48 | 97 Ų | 97 | 31% | 0.312 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 148.2 | -179.8 | -28.3 | 37.9 | 0 | 0 | 0 | 112.8 | Y264 P271 | P223-Y264 HydrophobicContact CG-CD1 4.35Å; P223-Y264 HydrophobicContact CG-CE1 3.69Å; P223-Y264 HydrophobicContact CG-CE2 4.02Å; P223-P271 VanDerWaalsContact O-CG 3.3Å; P223-P271 WeakPolarHBondContact O-CG 3.42Å |
| 224 | L | 90.7 | Very high | 89.3 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -95.5 | 119.4 | 175.2 | -63.7 | 174.4 | 0 | 0 | 0 | 108.6 | Q273 | L224-Q273 HydrophobicContact CD2-CG 3.94Š|
| 225 | I | 89.4 | Confident | 89.4 | Confident | 37 Ų | 37 | 95.9 Ų | 95.9 | 19% | 0.19 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -100.6 | 130.2 | 171.1 | -51.8 | -57.6 | 0 | 0 | 0 | 108.6 | T175 P271 Q273 T351 | T175-I225 HydrophobicContact CG2-CB 4.21Å; T175-I225 HydrophobicContact CG2-CG2 3.72Å; I225-P271 HydrophobicContact CG1-CG 4.05Å; I225-Q273 PolarHBondContact O-NE2 3.41Å; I225-Q273 VanDerWaalsContact O-NE2 3.13Å; I225-T351 HydrophobicContact CG2-CG2 3.65Å |
| 226 | G | 88.6 | Confident | 89.7 | Confident | 25 Ų | 25 | 91.6 Ų | 91.6 | 26% | 0.258 | 47% | 0.466 | S | S | . | . | S | Bend | trans | 70.6 | -166.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 227 | P | 89.6 | Confident | 90 | Very high | 67 Ų | 67 | 93.5 Ų | 93.5 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -65.9 | 144.9 | -179.3 | 27.4 | -34.9 | 0 | 0 | 0 | 111.5 | L229 Q273 Y345 P356 | P227-L229 PolarHBondContact O-N 2.96Å; P227-Q273 PolarHBondContact O-NE2 3.34Å; P227-Y345 VanDerWaalsContact CD-OH 3.25Å; P227-Y345 WeakPolarHBondContact CD-OH 3.25Å; P227-P356 HydrophobicContact CG-CG 3.79Å |
| 228 | K | 91.9 | Very high | 90.5 | Very high | 165 Ų | 165 | 92.2 Ų | 92.2 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | trans | -59.1 | 125.1 | 175.7 | -173.9 | 175.4 | -177.8 | 176 | 0 | 110.7 | K230 | K228-K230 PolarHBondContact O-N 2.92Š| ||
| 229 | L | 93.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 95.2 Ų | 95.2 | 16% | 0.157 | 45% | 0.451 | C | S | . | . | trans | -59 | 113 | 174.6 | 177.6 | 58.5 | 0 | 0 | 0 | 109.3 | A176 E178 P227 R231 Q273 A275 | A176-L229 HydrophobicContact CB-CB 4.3Å; A176-L229 HydrophobicContact CB-CD1 4.19Å; A176-L229 HydrophobicContact CB-CD2 4.47Å; E178-L229 HydrophobicContact CG-CD1 3.98Å; E178-L229 HydrophobicContact CG-CD2 4.47Å; P227-L229 PolarHBondContact O-N 2.96Å; L229-R231 PolarHBondContact O-N 3.2Å; L229-Q273 HydrophobicContact CB-CB 3.96Å; L229-Q273 HydrophobicContact CD2-CB 4.3Å; L229-A275 HydrophobicContact CD2-CB 3.83Å | ||
| 230 | K | 90.8 | Very high | 91.4 | Very high | 187 Ų | 187 | 96 Ų | 96 | 81% | 0.813 | 45% | 0.451 | S | S | * | . | trans | -75.2 | 114.5 | 176.6 | -67.1 | -175.3 | -178.8 | -179.2 | 0 | 108.5 | K228 | K228-K230 PolarHBondContact O-N 2.92Š| ||
| 231 | R | 91 | Very high | 91.7 | Very high | 185 Ų | 185 | 90.1 Ų | 90.1 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 138.9 | 172.5 | -67.1 | -173.4 | -179.3 | 176.5 | 1.1 | 109.7 | L229 | L229-R231 PolarHBondContact O-N 3.2Š|
| 232 | R | 92.9 | Very high | 92 | Very high | 69 Ų | 69 | 92.8 Ų | 92.8 | 26% | 0.26 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 155.5 | 172.5 | -65.1 | 174.4 | -179.4 | -110.4 | 2 | 110.1 | E178 S236 Y277 | E178-R232 IonicContact OE1-NE 3.04Å; E178-R232 PolarHBondContact OE1-NE 3.22Å; E178-R232 IonicContact OE2-CZ 3.37Å; E178-R232 IonicContact OE2-NE 3.03Å; E178-R232 PolarHBondContact OE2-NE 3.41Å; E178-R232 IonicContact OE2-NH2 2.82Å; E178-R232 PolarHBondContact OE2-NH2 2.78Å; R232-S236 WeakPolarHBondContact CB-OG 3.3Å; R232-Y277 HydrophobicContact CB-CE1 3.8Å; R232-Y277 HydrophobicContact CG-CE1 4.29Å; R232-Y277 WeakPolarHBondContact CG-OH 3.31Å; R232-Y277 PolarHBondContact N-OH 2.79Å |
| 233 | W | 91.8 | Very high | 92.2 | Very high | 198 Ų | 198 | 91.1 Ų | 91.1 | 75% | 0.75 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 145.3 | 169.1 | -163.9 | 51.3 | 0 | 0 | 0 | 109.3 | I235 | W233-I235 CarbonylContact O-C 3.46Å; W233-I235 PolarHBondContact O-N 3.17Å |
| 234 | P | 89.9 | Confident | 92.5 | Very high | 75 Ų | 75 | 92.2 Ų | 92.2 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -56.3 | -20.9 | -170.7 | -29.6 | 37.4 | 0 | 0 | 0 | 115.4 | I246 P247 | P234-I246 WeakPolarHBondContact O-CA 3.44Å; P234-I246 WeakPolarHBondContact O-CG2 3.49Å; P234-P247 HydrophobicContact CB-CG 4.43Å; P234-P247 WeakPolarHBondContact O-CD 3.35Å |
| 235 | I | 93.7 | Very high | 92.7 | Very high | 40 Ų | 40 | 86.9 Ų | 86.9 | 21% | 0.205 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -124.1 | 113.5 | 167.3 | -63.2 | 162.2 | 0 | 0 | 0 | 105.6 | W233 Y244 I246 V286 M290 | W233-I235 CarbonylContact O-C 3.46Å; W233-I235 PolarHBondContact O-N 3.17Å; I235-Y244 HydrophobicContact CG2-CD1 3.94Å; I235-Y244 HydrophobicContact CG2-CE1 4.48Å; I235-I246 HydrophobicContact CG1-CG2 4.21Å; I235-V286 HydrophobicContact CD1-CG1 3.86Å; I235-V286 HydrophobicContact CG1-CG1 4.01Å; I235-V286 HydrophobicContact CG2-CG1 3.83Å; I235-V286 HydrophobicContact CG2-CG2 4.49Å; I235-M290 HydrophobicContact CD1-CE 4.06Å; I235-M290 HydrophobicContact CD1-CG 4.31Å; I235-M290 HydrophobicContact CD1-SD 3.37Å; I235-M290 WeakPolarHBondContact CD1-SD 3.44Å |
| 236 | S | 94 | Very high | 93 | Very high | 18 Ų | 18 | 87.3 Ų | 87.3 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.1 | -178.5 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | R232 C238 Y244 S245 | R232-S236 WeakPolarHBondContact CB-OG 3.3Å; S236-C238 PolarHBondContact O-N 3.06Å; S236-Y244 CarbonylContact O-C 3.49Å; S236-S245 PolarHBondContact N-O 3.4Å; S236-S245 PolarHBondContact O-N 3.34Å; S236-S245 PolarHBondContact O-OG 2.98Å; S236-S245 PolarHBondContact OG-OG 3.1Å; S236-S245 VanDerWaalsContact OG-OG 3.04Å |
| 237 | Y | 94.9 | Very high | 93.3 | Very high | 110 Ų | 110 | 88.7 Ų | 88.7 | 43% | 0.431 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.8 | 173.9 | -169.7 | -99.1 | 0 | 0 | 0 | 109.6 | R239 K242 Y244 | Y237-R239 HydrophobicContact CD1-CG 4.11Å; Y237-R239 HydrophobicContact CE1-CG 4.31Å; Y237-K242 VanDerWaalsContact OH-C 3.24Å; Y237-K242 VanDerWaalsContact OH-CA 3.26Å; Y237-K242 WeakPolarHBondContact OH-CA 3.37Å; Y237-K242 PolarHBondContact OH-O 2.91Å; Y237-Y244 HydrophobicContact CD2-CD1 4.42Å; Y237-Y244 AromaticContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CE1 4.36Å; Y237-Y244 AromaticContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CG 4.19Å; Y237-Y244 HydrophobicContact CE2-CD2 4.43Å; Y237-Y244 HydrophobicContact CE2-CE2 4.35Å |
| 238 | C | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.1 | 170.9 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | F180 S236 E240 L241 K242 G243 | F180-C238 HydrophobicContact CD1-CB 4.46Å; F180-C238 HydrophobicContact CE1-CB 4.09Å; S236-C238 PolarHBondContact O-N 3.06Å; C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact SG-OE2 3.41Å; C238-L241 HydrophobicContact CB-CB 4.32Å; C238-L241 PolarHBondContact O-N 3.39Å; C238-K242 PolarHBondContact O-N 3.2Å; C238-G243 PolarHBondContact N-O 3.36Å; C238-G243 PolarHBondContact O-N 2.96Å |
| 239 | R | 93.1 | Very high | 93.2 | Very high | 208 Ų | 208 | 85.9 Ų | 85.9 | 79% | 0.785 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -39.1 | -176.3 | -67.5 | -178.7 | 179.3 | -179.5 | -0.8 | 111.1 | Y237 L241 K242 | Y237-R239 HydrophobicContact CD1-CG 4.11Å; Y237-R239 HydrophobicContact CE1-CG 4.31Å; R239-L241 VanDerWaalsContact C-N 3.27Å; R239-L241 PolarHBondContact O-N 3.24Å; R239-K242 PolarHBondContact O-N 3.33Å |
| 240 | E | 92.3 | Very high | 93 | Very high | 116 Ų | 116 | 85.8 Ų | 85.8 | 54% | 0.542 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -35.2 | -179.4 | -59.1 | 82.6 | 175.6 | 0 | 0 | 111.7 | C238 F341 | C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact SG-OE2 3.41Å; E240-F341 HydrophobicContact CB-CE1 3.94Å; E240-F341 HydrophobicContact CB-CE2 4.41Å; E240-F341 HydrophobicContact CB-CZ 3.54Å; E240-F341 HydrophobicContact CG-CE1 4.02Å; E240-F341 HydrophobicContact CG-CZ 4.06Å |
| 241 | L | 94.1 | Very high | 93.1 | Very high | 49 Ų | 49 | 76.9 Ų | 76.9 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 2.1 | 178.9 | -58.6 | 179.5 | 0 | 0 | 0 | 113.5 | F180 C238 R239 G243 T339 F341 | F180-L241 HydrophobicContact CB-CD1 3.32Å; F180-L241 HydrophobicContact CD1-CD1 3.99Å; F180-L241 HydrophobicContact CD2-CD1 4.39Å; F180-L241 HydrophobicContact CG-CD1 3.66Å; C238-L241 HydrophobicContact CB-CB 4.32Å; C238-L241 PolarHBondContact O-N 3.39Å; R239-L241 VanDerWaalsContact C-N 3.27Å; R239-L241 PolarHBondContact O-N 3.24Å; L241-G243 PolarHBondContact O-N 3.34Å; L241-G243 VanDerWaalsContact O-N 3.14Å; L241-T339 HydrophobicContact CD2-CG2 4.33Å; L241-F341 HydrophobicContact CD1-CE2 4.37Å; L241-F341 HydrophobicContact CD2-CZ 4.4Å; L241-F341 HydrophobicContact CG-CE2 4.36Å; L241-F341 HydrophobicContact CG-CZ 4.39Å |
| 242 | K | 95.1 | Very high | 93.4 | Very high | 172 Ų | 172 | 68.5 Ų | 68.5 | 75% | 0.748 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 36.1 | -178.8 | -58.4 | -178.6 | -178.6 | 178.2 | 0 | 114 | Y237 C238 R239 | Y237-K242 VanDerWaalsContact OH-C 3.24Å; Y237-K242 VanDerWaalsContact OH-CA 3.26Å; Y237-K242 WeakPolarHBondContact OH-CA 3.37Å; Y237-K242 PolarHBondContact OH-O 2.91Å; C238-K242 PolarHBondContact O-N 3.2Å; R239-K242 PolarHBondContact O-N 3.33Å |
| 243 | G | 95.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 158 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C238 L241 | C238-G243 PolarHBondContact N-O 3.36Å; C238-G243 PolarHBondContact O-N 2.96Å; L241-G243 PolarHBondContact O-N 3.34Å; L241-G243 VanDerWaalsContact O-N 3.14Å |
| 244 | Y | 96.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 28% | 0.275 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 143.1 | 169.4 | -74.2 | -88.9 | 0 | 0 | 0 | 110.4 | I235 S236 Y237 T279 V280 G281 I283 V286 | I235-Y244 HydrophobicContact CG2-CD1 3.94Å; I235-Y244 HydrophobicContact CG2-CE1 4.48Å; S236-Y244 CarbonylContact O-C 3.49Å; Y237-Y244 HydrophobicContact CD2-CD1 4.42Å; Y237-Y244 AromaticContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CE1 4.36Å; Y237-Y244 AromaticContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CG 4.19Å; Y237-Y244 HydrophobicContact CE2-CD2 4.43Å; Y237-Y244 HydrophobicContact CE2-CE2 4.35Å; Y244-T279 CarbonylContact O-C 3.59Å; Y244-T279 WeakPolarHBondContact O-CA 3.31Å; Y244-V280 WeakPolarHBondContact O-CG2 3.45Å; Y244-V280 PolarHBondContact O-N 2.68Å; Y244-G281 WeakPolarHBondContact CB-O 3.48Å; Y244-G281 PolarHBondContact N-O 3.25Å; Y244-I283 HydrophobicContact CD1-CD1 4.42Å; Y244-I283 HydrophobicContact CD2-CB 4.39Å; Y244-I283 HydrophobicContact CE1-CD1 3.99Å; Y244-I283 HydrophobicContact CE2-CB 3.9Å; Y244-I283 HydrophobicContact CE2-CD1 4.26Å; Y244-V286 VanDerWaalsContact CB-CG2 3.41Å; Y244-V286 HydrophobicContact CD1-CG2 4.32Å; Y244-V286 HydrophobicContact CD2-CG2 4.46Å; Y244-V286 HydrophobicContact CG-CG2 3.83Å |
| 245 | S | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.7 | 179.6 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | S236 V278 | S236-S245 PolarHBondContact N-O 3.4Å; S236-S245 PolarHBondContact O-N 3.34Å; S236-S245 PolarHBondContact O-OG 2.98Å; S236-S245 PolarHBondContact OG-OG 3.1Å; S236-S245 VanDerWaalsContact OG-OG 3.04Å; S245-V278 CarbonylContact C-O 3.5Å; S245-V278 WeakPolarHBondContact CA-O 3.42Å |
| 246 | I | 94.9 | Very high | 94.3 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.3 | 174.7 | 63.5 | 175.1 | 0 | 0 | 0 | 109.6 | P234 I235 F248 Y277 V278 V280 L289 | P234-I246 WeakPolarHBondContact O-CA 3.44Å; P234-I246 WeakPolarHBondContact O-CG2 3.49Å; I235-I246 HydrophobicContact CG1-CG2 4.21Å; I246-F248 PolarHBondContact O-N 3.07Å; I246-Y277 CarbonylContact O-C 3.58Å; I246-Y277 WeakPolarHBondContact O-CA 3.3Å; I246-Y277 WeakPolarHBondContact O-CB 3.32Å; I246-V278 HydrophobicContact CG1-CB 4.47Å; I246-V278 PolarHBondContact N-O 3.1Å; I246-V278 PolarHBondContact O-N 3.34Å; I246-V280 HydrophobicContact CD1-CG1 3.95Å; I246-V280 HydrophobicContact CG1-CG1 3.94Å; I246-L289 HydrophobicContact CD1-CD1 4.4Å |
| 247 | P | 94.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 132.3 | 174.2 | -27.8 | 33.9 | 0 | 0 | 0 | 112 | P234 M249 | P234-P247 HydrophobicContact CB-CG 4.43Å; P234-P247 WeakPolarHBondContact O-CD 3.35Å; P247-M249 PolarHBondContact O-N 3.37Å |
| 248 | F | 93.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | trans | -73.8 | 125.2 | 170.6 | -178.9 | -120.7 | 0 | 0 | 0 | 109.3 | I246 G250 D252 A276 V278 | I246-F248 PolarHBondContact O-N 3.07Å; F248-G250 VanDerWaalsContact CE1-CA 3.44Å; F248-D252 HydrophobicContact CD1-CB 4.03Å; F248-D252 WeakPolarHBondContact CD1-OD2 3.33Å; F248-D252 HydrophobicContact CE1-CB 3.98Å; F248-D252 VanDerWaalsContact CE1-CG 3.47Å; F248-D252 WeakPolarHBondContact CE1-OD2 3.44Å; F248-A276 HydrophobicContact CB-CB 3.93Å; F248-A276 HydrophobicContact CD1-CB 4.28Å; F248-A276 PolarHBondContact N-O 2.92Å; F248-V278 HydrophobicContact CB-CG2 3.89Å; F248-V278 HydrophobicContact CD2-CG2 3.42Å; F248-V278 VanDerWaalsContact CD2-CG2 3.42Å; F248-V278 HydrophobicContact CE2-CG2 4.34Å; F248-V278 HydrophobicContact CG-CG2 4.06Å | ||
| 249 | M | 87.3 | Confident | 94.8 | Very high | 127 Ų | 127 | 52.4 Ų | 52.4 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | trans | -100.6 | 15.6 | -176.8 | -57.1 | -169.6 | 77 | 0 | 0 | 113.3 | F204 P247 | F204-M249 HydrophobicContact CE1-CE 3.44Å; F204-M249 VanDerWaalsContact CE1-CE 3.44Å; F204-M249 HydrophobicContact CE1-SD 3.93Å; F204-M249 HydrophobicContact CZ-CB 3.85Å; F204-M249 HydrophobicContact CZ-CE 3.87Å; F204-M249 HydrophobicContact CZ-SD 3.9Å; P247-M249 PolarHBondContact O-N 3.37Å | ||
| 250 | G | 88.3 | Confident | 95 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -86 | -158.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F248 | F248-G250 VanDerWaalsContact CE1-CA 3.44Š|
| 251 | S | 93.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -88 | -17.9 | -168.8 | 78.7 | 0 | 0 | 0 | 0 | 115 | D155 S156 V253 S254 V255 | D155-S251 VanDerWaalsContact CG-OG 3.29Å; D155-S251 WeakPolarHBondContact OD1-CB 3.15Å; D155-S251 PolarHBondContact OD1-N 3.32Å; D155-S251 PolarHBondContact OD1-OG 3.2Å; S156-S251 PolarHBondContact OG-OG 2.8Å; S251-V253 VanDerWaalsContact C-N 3.33Å; S251-V253 PolarHBondContact O-N 3.25Å; S251-V253 VanDerWaalsContact O-N 3.1Å; S251-S254 WeakPolarHBondContact O-CA 3.14Å; S251-S254 WeakPolarHBondContact O-CB 3.24Å; S251-S254 PolarHBondContact O-N 2.94Å; S251-V255 PolarHBondContact O-N 2.99Å |
| 252 | D | 96.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -45 | -48.6 | -176 | -66.9 | -8.7 | 0 | 0 | 0 | 114.6 | S156 A159 F248 S254 V255 V256 Y274 A276 | S156-D252 WeakPolarHBondContact CA-OD1 3.4Å; S156-D252 WeakPolarHBondContact CB-OD1 3.49Å; S156-D252 WeakPolarHBondContact OG-CA 3.23Å; S156-D252 PolarHBondContact OG-N 2.97Å; S156-D252 PolarHBondContact OG-OD1 2.83Å; A159-D252 HydrophobicContact CB-CB 3.85Å; A159-D252 WeakPolarHBondContact CB-OD2 3.46Å; F248-D252 HydrophobicContact CD1-CB 4.03Å; F248-D252 WeakPolarHBondContact CD1-OD2 3.33Å; F248-D252 HydrophobicContact CE1-CB 3.98Å; F248-D252 VanDerWaalsContact CE1-CG 3.47Å; F248-D252 WeakPolarHBondContact CE1-OD2 3.44Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 2.77Å; D252-V255 PolarHBondContact O-N 3.13Å; D252-V256 WeakPolarHBondContact O-CB 3.41Å; D252-V256 VanDerWaalsContact O-CG2 3.27Å; D252-V256 WeakPolarHBondContact O-CG2 3.41Å; D252-V256 PolarHBondContact O-N 3.4Å; D252-Y274 HydrophobicContact CB-CE1 4.21Å; D252-A276 HydrophobicContact CB-CB 4.48Å |
| 253 | V | 95.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 22% | 0.218 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -33.5 | -178.5 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | S251 K257 Y274 A276 | S251-V253 VanDerWaalsContact C-N 3.33Å; S251-V253 PolarHBondContact O-N 3.25Å; S251-V253 VanDerWaalsContact O-N 3.1Å; V253-K257 HydrophobicContact CG1-CD 4.11Å; V253-K257 VanDerWaalsContact O-CB 3.31Å; V253-K257 WeakPolarHBondContact O-CB 3.35Å; V253-K257 WeakPolarHBondContact O-CD 3.09Å; V253-K257 WeakPolarHBondContact O-CG 3.44Å; V253-K257 PolarHBondContact O-N 3.03Å; V253-Y274 HydrophobicContact CG2-CD1 4.23Å; V253-Y274 HydrophobicContact CG2-CE1 4.1Å; V253-A276 HydrophobicContact CG2-CB 3.78Å |
| 254 | S | 95.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.2 | -48 | 174.3 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | E131 S251 D252 K257 R258 | E131-S254 PolarHBondContact OE1-OG 3.14Å; S251-S254 WeakPolarHBondContact O-CA 3.14Å; S251-S254 WeakPolarHBondContact O-CB 3.24Å; S251-S254 PolarHBondContact O-N 2.94Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 2.77Å; S254-K257 PolarHBondContact O-N 3.49Å; S254-R258 VanDerWaalsContact O-CG 3.32Å; S254-R258 WeakPolarHBondContact O-CG 3.3Å; S254-R258 PolarHBondContact O-N 3.04Å; S254-R258 VanDerWaalsContact O-N 3.16Å |
| 255 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -54.9 | -178 | 176.8 | 0 | 0 | 0 | 0 | 111 | L130 D160 S251 D252 K257 R258 T259 T400 | L130-V255 HydrophobicContact CD1-CG2 4.22Å; D160-V255 HydrophobicContact CB-CG1 4.1Å; D160-V255 WeakPolarHBondContact OD2-CG1 3.2Å; S251-V255 PolarHBondContact O-N 2.99Å; D252-V255 PolarHBondContact O-N 3.13Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 3.47Å; V255-R258 WeakPolarHBondContact O-CB 3.33Å; V255-R258 PolarHBondContact O-N 3.05Å; V255-T259 PolarHBondContact O-N 2.78Å; V255-T259 PolarHBondContact O-OG1 3.26Å; V255-T400 HydrophobicContact CB-CG2 4.41Å; V255-T400 HydrophobicContact CG1-CG2 3.78Å |
| 256 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | D160 V163 D252 R258 T259 Q260 Y274 | D160-V256 HydrophobicContact CB-CG2 4.32Å; D160-V256 WeakPolarHBondContact OD1-CA 3.5Å; V163-V256 HydrophobicContact CG2-CG1 4.12Å; V163-V256 HydrophobicContact CG2-CG2 4.44Å; D252-V256 WeakPolarHBondContact O-CB 3.41Å; D252-V256 VanDerWaalsContact O-CG2 3.27Å; D252-V256 WeakPolarHBondContact O-CG2 3.41Å; D252-V256 PolarHBondContact O-N 3.4Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.93Å; V256-T259 WeakPolarHBondContact O-CB 3.32Å; V256-T259 PolarHBondContact O-N 3.42Å; V256-Q260 HydrophobicContact CG1-CG 4.05Å; V256-Q260 VanDerWaalsContact O-CG 3.23Å; V256-Q260 WeakPolarHBondContact O-CG 3.3Å; V256-Q260 PolarHBondContact O-N 2.77Å; V256-Y274 HydrophobicContact CB-CD1 3.54Å; V256-Y274 HydrophobicContact CB-CE1 3.85Å; V256-Y274 HydrophobicContact CB-CG 4.08Å; V256-Y274 HydrophobicContact CG1-CD1 3.59Å; V256-Y274 HydrophobicContact CG1-CD2 4.22Å; V256-Y274 HydrophobicContact CG1-CE1 4.24Å; V256-Y274 HydrophobicContact CG1-CG 3.57Å; V256-Y274 HydrophobicContact CG2-CD1 3.77Å; V256-Y274 HydrophobicContact CG2-CE1 3.55Å; V256-Y274 HydrophobicContact CG2-CG 4.34Å |
| 257 | K | 96.4 | Very high | 95.4 | Very high | 99 Ų | 99 | 41 Ų | 41 | 43% | 0.43 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -36.3 | 178.8 | -79 | 177.9 | 178.9 | -178.8 | 0 | 113.4 | V253 S254 V255 R261 | V253-K257 HydrophobicContact CG1-CD 4.11Å; V253-K257 VanDerWaalsContact O-CB 3.31Å; V253-K257 WeakPolarHBondContact O-CB 3.35Å; V253-K257 WeakPolarHBondContact O-CD 3.09Å; V253-K257 WeakPolarHBondContact O-CG 3.44Å; V253-K257 PolarHBondContact O-N 3.03Å; S254-K257 PolarHBondContact O-N 3.49Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 3.47Å; K257-R261 PolarHBondContact O-N 3.18Å |
| 258 | R | 97.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.4 | -40 | 176.8 | -70.9 | 166.5 | 62 | -160.3 | -6.9 | 111 | L130 S254 V255 V256 R261 Y262 T400 | L130-R258 VanDerWaalsContact C-NH1 3.32Å; L130-R258 VanDerWaalsContact CB-NH1 3.32Å; L130-R258 PolarHBondContact O-NH1 3.07Å; L130-R258 PolarHBondContact O-NH2 2.76Å; S254-R258 VanDerWaalsContact O-CG 3.32Å; S254-R258 WeakPolarHBondContact O-CG 3.3Å; S254-R258 PolarHBondContact O-N 3.04Å; S254-R258 VanDerWaalsContact O-N 3.16Å; V255-R258 WeakPolarHBondContact O-CB 3.33Å; V255-R258 PolarHBondContact O-N 3.05Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.93Å; R258-R261 WeakPolarHBondContact O-CB 3.45Å; R258-R261 PolarHBondContact O-N 2.88Å; R258-Y262 PolarHBondContact O-N 3.05Å; R258-T400 HydrophobicContact CB-CG2 3.7Å |
| 259 | T | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.2 | -54.1 | 168.6 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | D160 I164 V255 V256 R261 Y262 L263 T400 | D160-T259 WeakPolarHBondContact OD1-CB 3.21Å; D160-T259 WeakPolarHBondContact OD1-CG2 3.26Å; D160-T259 PolarHBondContact OD1-OG1 2.84Å; D160-T259 PolarHBondContact OD2-OG1 3.48Å; I164-T259 HydrophobicContact CD1-CG2 4.01Å; V255-T259 PolarHBondContact O-N 2.78Å; V255-T259 PolarHBondContact O-OG1 3.26Å; V256-T259 WeakPolarHBondContact O-CB 3.32Å; V256-T259 PolarHBondContact O-N 3.42Å; T259-R261 VanDerWaalsContact C-N 3.26Å; T259-R261 PolarHBondContact O-N 3.47Å; T259-Y262 WeakPolarHBondContact O-CB 3.43Å; T259-Y262 PolarHBondContact O-N 3.41Å; T259-L263 HydrophobicContact CG2-CD1 3.81Å; T259-L263 HydrophobicContact CG2-CG 4.19Å; T259-L263 VanDerWaalsContact O-CG 3.32Å; T259-L263 WeakPolarHBondContact O-CG 3.46Å; T259-L263 PolarHBondContact O-N 3.07Å; T259-T400 WeakPolarHBondContact OG1-CB 3.34Å; T259-T400 PolarHBondContact OG1-OG1 3.23Å |
| 260 | Q | 97.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -34.8 | -178.7 | -64.1 | -50.4 | -54 | 0 | 0 | 113.3 | V256 Y264 | V256-Q260 HydrophobicContact CG1-CG 4.05Å; V256-Q260 VanDerWaalsContact O-CG 3.23Å; V256-Q260 WeakPolarHBondContact O-CG 3.3Å; V256-Q260 PolarHBondContact O-N 2.77Å; Q260-Y264 WeakPolarHBondContact O-CB 3.47Å; Q260-Y264 PolarHBondContact O-N 3.41Å; Q260-Y264 VanDerWaalsContact O-N 3.13Å |
| 261 | R | 96.8 | Very high | 95.9 | Very high | 35 Ų | 35 | 43.1 Ų | 43.1 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -51.4 | 171.2 | 179.7 | -177.3 | -64.1 | -88 | -2 | 111.5 | K220 V222 K257 R258 T259 L263 Y264 E265 | K220-R261 PolarHBondContact O-NH1 3.29Å; K220-R261 PolarHBondContact O-NH2 2.88Å; V222-R261 HydrophobicContact CG2-CB 3.75Å; V222-R261 HydrophobicContact CG2-CG 4.26Å; K257-R261 PolarHBondContact O-N 3.18Å; R258-R261 WeakPolarHBondContact O-CB 3.45Å; R258-R261 PolarHBondContact O-N 2.88Å; T259-R261 VanDerWaalsContact C-N 3.26Å; T259-R261 PolarHBondContact O-N 3.47Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.4Å; R261-Y264 PolarHBondContact O-N 2.87Å; R261-E265 WeakPolarHBondContact CD-OE1 3.32Å; R261-E265 HydrophobicContact CG-CG 4.05Å; R261-E265 VanDerWaalsContact CG-OE1 3.23Å; R261-E265 WeakPolarHBondContact CG-OE1 3.28Å; R261-E265 WeakPolarHBondContact CG-OE2 3.49Å; R261-E265 IonicContact CZ-OE1 3.64Å; R261-E265 IonicContact NH1-OE1 3.9Å; R261-E265 PolarHBondContact NH1-OE1 3.22Å; R261-E265 WeakPolarHBondContact O-CB 3.49Å; R261-E265 WeakPolarHBondContact O-CG 3.37Å; R261-E265 PolarHBondContact O-N 3.43Å |
| 262 | Y | 97 | Very high | 96 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | -179.6 | 175.9 | -96.2 | 0 | 0 | 0 | 111.6 | R258 T259 Y264 E265 N266 L267 P393 F399 A403 | R258-Y262 PolarHBondContact O-N 3.05Å; T259-Y262 WeakPolarHBondContact O-CB 3.43Å; T259-Y262 PolarHBondContact O-N 3.41Å; Y262-Y264 VanDerWaalsContact C-N 3.27Å; Y262-Y264 PolarHBondContact O-N 3.27Å; Y262-E265 PolarHBondContact O-N 2.7Å; Y262-N266 HydrophobicContact CD2-CB 4.01Å; Y262-N266 VanDerWaalsContact CD2-OD1 3.24Å; Y262-N266 WeakPolarHBondContact CD2-OD1 3.48Å; Y262-N266 HydrophobicContact CE2-CB 3.72Å; Y262-N266 VanDerWaalsContact O-CB 3.28Å; Y262-N266 WeakPolarHBondContact O-CB 3.18Å; Y262-N266 PolarHBondContact O-N 2.89Å; Y262-N266 PolarHBondContact O-OD1 3.18Å; Y262-L267 HydrophobicContact CE1-CD1 4.07Å; Y262-L267 HydrophobicContact CE1-CG 4.21Å; Y262-P393 VanDerWaalsContact OH-CB 3.31Å; Y262-P393 WeakPolarHBondContact OH-CB 3.29Å; Y262-P393 WeakPolarHBondContact OH-CG 3.41Å; Y262-F399 HydrophobicContact CD2-CD1 4.42Å; Y262-F399 HydrophobicContact CD2-CE1 4.21Å; Y262-F399 HydrophobicContact CE2-CD1 4.25Å; Y262-F399 AromaticContact CE2-CE1 3.7Å; Y262-F399 HydrophobicContact CE2-CE1 3.7Å; Y262-A403 HydrophobicContact CD1-CB 3.56Å; Y262-A403 HydrophobicContact CD2-CB 4.5Å; Y262-A403 HydrophobicContact CE1-CB 4.28Å; Y262-A403 VanDerWaalsContact CE1-O 3.31Å; Y262-A403 WeakPolarHBondContact CE1-O 3.45Å; Y262-A403 HydrophobicContact CG-CB 3.7Å |
| 263 | L | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -37.8 | 178.3 | -58.1 | 177 | 0 | 0 | 0 | 111.7 | I164 T259 R261 L267 E268 E269 | I164-L263 HydrophobicContact CD1-CD1 3.43Å; I164-L263 VanDerWaalsContact CD1-CD1 3.43Å; T259-L263 HydrophobicContact CG2-CD1 3.81Å; T259-L263 HydrophobicContact CG2-CG 4.19Å; T259-L263 VanDerWaalsContact O-CG 3.32Å; T259-L263 WeakPolarHBondContact O-CG 3.46Å; T259-L263 PolarHBondContact O-N 3.07Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.4Å; L263-L267 HydrophobicContact CD2-CD1 3.63Å; L263-L267 CarbonylContact O-C 3.4Å; L263-L267 VanDerWaalsContact O-C 3.3Å; L263-L267 WeakPolarHBondContact O-CA 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 PolarHBondContact O-N 2.62Å; L263-L267 VanDerWaalsContact O-N 3.15Å; L263-E268 PolarHBondContact O-N 2.65Å; L263-E268 VanDerWaalsContact O-N 3.11Å; L263-E269 HydrophobicContact CB-CB 4.15Å; L263-E269 PolarHBondContact O-N 3.35Å |
| 264 | Y | 96.4 | Very high | 96.1 | Very high | 102 Ų | 102 | 43.2 Ų | 43.2 | 40% | 0.4 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -72 | -50 | 176.6 | 175.6 | -103.5 | 0 | 0 | 0 | 113 | P223 Q260 R261 Y262 E269 P271 | P223-Y264 HydrophobicContact CG-CD1 4.35Å; P223-Y264 HydrophobicContact CG-CE1 3.69Å; P223-Y264 HydrophobicContact CG-CE2 4.02Å; Q260-Y264 WeakPolarHBondContact O-CB 3.47Å; Q260-Y264 PolarHBondContact O-N 3.41Å; Q260-Y264 VanDerWaalsContact O-N 3.13Å; R261-Y264 PolarHBondContact O-N 2.87Å; Y262-Y264 VanDerWaalsContact C-N 3.27Å; Y262-Y264 PolarHBondContact O-N 3.27Å; Y264-E269 WeakPolarHBondContact CA-O 3.38Å; Y264-P271 HydrophobicContact CD2-CG 4.21Å |
| 265 | E | 95.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 43.2 Ų | 43.2 | 49% | 0.486 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -77.2 | -28.5 | -172.7 | -67.3 | 176.4 | -179.6 | 0 | 0 | 112.8 | R261 Y262 | R261-E265 WeakPolarHBondContact CD-OE1 3.32Å; R261-E265 HydrophobicContact CG-CG 4.05Å; R261-E265 VanDerWaalsContact CG-OE1 3.23Å; R261-E265 WeakPolarHBondContact CG-OE1 3.28Å; R261-E265 WeakPolarHBondContact CG-OE2 3.49Å; R261-E265 IonicContact CZ-OE1 3.64Å; R261-E265 IonicContact NH1-OE1 3.9Å; R261-E265 PolarHBondContact NH1-OE1 3.22Å; R261-E265 WeakPolarHBondContact O-CB 3.49Å; R261-E265 WeakPolarHBondContact O-CG 3.37Å; R261-E265 PolarHBondContact O-N 3.43Å; Y262-E265 PolarHBondContact O-N 2.7Å |
| 266 | N | 95.4 | Very high | 96.2 | Very high | 97 Ų | 97 | 43.5 Ų | 43.5 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -116.4 | -23.1 | -172.2 | -60.4 | 92.1 | 0 | 0 | 0 | 114.4 | Y262 | Y262-N266 HydrophobicContact CD2-CB 4.01Å; Y262-N266 VanDerWaalsContact CD2-OD1 3.24Å; Y262-N266 WeakPolarHBondContact CD2-OD1 3.48Å; Y262-N266 HydrophobicContact CE2-CB 3.72Å; Y262-N266 VanDerWaalsContact O-CB 3.28Å; Y262-N266 WeakPolarHBondContact O-CB 3.18Å; Y262-N266 PolarHBondContact O-N 2.89Å; Y262-N266 PolarHBondContact O-OD1 3.18Å |
| 267 | L | 95 | Very high | 96.2 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -119.7 | 3.1 | -177.2 | -59.2 | -176.9 | 0 | 0 | 0 | 113.7 | Y262 L263 E269 | Y262-L267 HydrophobicContact CE1-CD1 4.07Å; Y262-L267 HydrophobicContact CE1-CG 4.21Å; L263-L267 HydrophobicContact CD2-CD1 3.63Å; L263-L267 CarbonylContact O-C 3.4Å; L263-L267 VanDerWaalsContact O-C 3.3Å; L263-L267 WeakPolarHBondContact O-CA 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 PolarHBondContact O-N 2.62Å; L263-L267 VanDerWaalsContact O-N 3.15Å; L267-E269 HydrophobicContact CB-CG 4.17Å; L267-E269 PolarHBondContact O-N 3.08Å; L267-E269 VanDerWaalsContact O-N 3.14Å |
| 268 | E | 93.6 | Very high | 96.2 | Very high | 186 Ų | 186 | 40.6 Ų | 40.6 | 87% | 0.869 | 20% | 0.197 | S | C | * | . | trans | 56.6 | 25.9 | 179.2 | -56.9 | -179.5 | 176.9 | 0 | 0 | 113.6 | L263 | L263-E268 PolarHBondContact O-N 2.65Å; L263-E268 VanDerWaalsContact O-N 3.11Å | ||
| 269 | E | 93.9 | Very high | 96.1 | Very high | 56 Ų | 56 | 40.1 Ų | 40.1 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -88.3 | 147.3 | 178.8 | -65 | -175 | -159.5 | 0 | 0 | 111.9 | R167 L263 Y264 L267 | R167-E269 IonicContact CZ-OE2 3.73Å; R167-E269 IonicContact NH1-OE2 2.65Å; R167-E269 PolarHBondContact NH1-OE2 3.27Å; L263-E269 HydrophobicContact CB-CB 4.15Å; L263-E269 PolarHBondContact O-N 3.35Å; Y264-E269 WeakPolarHBondContact CA-O 3.38Å; L267-E269 HydrophobicContact CB-CG 4.17Å; L267-E269 PolarHBondContact O-N 3.08Å; L267-E269 VanDerWaalsContact O-N 3.14Å |
| 270 | S | 91.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 37% | 0.371 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 125.3 | 177.1 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | R167 | R167-S270 PolarHBondContact NH2-O 3.48Å; R167-S270 VanDerWaalsContact NH2-O 3.07Å |
| 271 | P | 94.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 141.8 | -178.1 | 29.3 | -34.9 | 0 | 0 | 0 | 111.3 | V222 P223 I225 Y264 | V222-P271 HydrophobicContact CG1-CB 3.32Å; V222-P271 HydrophobicContact CG1-CG 3.73Å; P223-P271 VanDerWaalsContact O-CG 3.3Å; P223-P271 WeakPolarHBondContact O-CG 3.42Å; I225-P271 HydrophobicContact CG1-CG 4.05Å; Y264-P271 HydrophobicContact CD2-CG 4.21Å |
| 272 | V | 96.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -100.8 | 127.9 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 110 | V163 L174 V177 | V163-V272 HydrophobicContact CG1-CB 4.18Å; V163-V272 HydrophobicContact CG1-CG1 3.98Å; L174-V272 HydrophobicContact CB-CG2 4.16Å; L174-V272 HydrophobicContact CD2-CG1 4.18Å; L174-V272 HydrophobicContact CD2-CG2 3.86Å; L174-V272 HydrophobicContact CG-CG1 4.22Å; L174-V272 HydrophobicContact CG-CG2 3.86Å; L174-V272 WeakPolarHBondContact O-CG2 3.33Å; V177-V272 HydrophobicContact CB-CG1 4.1Å; V177-V272 HydrophobicContact CG2-CG1 3.66Å |
| 273 | Q | 97.4 | Very high | 94.9 | Very high | 23 Ų | 23 | 44.8 Ų | 44.8 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 135.4 | 171 | -60.2 | 178.3 | 67.8 | 0 | 0 | 109.8 | T175 A176 V177 L224 I225 P227 L229 | T175-Q273 WeakPolarHBondContact O-CB 3.08Å; T175-Q273 PolarHBondContact O-N 3.28Å; A176-Q273 CarbonylContact C-O 3.59Å; A176-Q273 VanDerWaalsContact CA-O 3.3Å; A176-Q273 WeakPolarHBondContact CA-O 3.28Å; A176-Q273 HydrophobicContact CB-CB 4.2Å; V177-Q273 PolarHBondContact N-O 2.99Å; L224-Q273 HydrophobicContact CD2-CG 3.94Å; I225-Q273 PolarHBondContact O-NE2 3.41Å; I225-Q273 VanDerWaalsContact O-NE2 3.13Å; P227-Q273 PolarHBondContact O-NE2 3.34Å; L229-Q273 HydrophobicContact CB-CB 3.96Å; L229-Q273 HydrophobicContact CD2-CB 4.3Å |
| 274 | Y | 97.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.6 | -173.1 | -179.3 | -114.3 | 0 | 0 | 0 | 113.5 | V163 V177 S179 D252 V253 V256 A276 | V163-Y274 HydrophobicContact CG2-CD2 3.74Å; V163-Y274 HydrophobicContact CG2-CE2 3.8Å; V177-Y274 HydrophobicContact CB-CD2 4.26Å; V177-Y274 HydrophobicContact CG1-CD2 4.18Å; V177-Y274 HydrophobicContact CG1-CE2 4.36Å; V177-Y274 WeakPolarHBondContact O-CA 3.44Å; S179-Y274 WeakPolarHBondContact OG-CE2 3.37Å; S179-Y274 PolarHBondContact OG-OH 2.84Å; D252-Y274 HydrophobicContact CB-CE1 4.21Å; V253-Y274 HydrophobicContact CG2-CD1 4.23Å; V253-Y274 HydrophobicContact CG2-CE1 4.1Å; V256-Y274 HydrophobicContact CB-CD1 3.54Å; V256-Y274 HydrophobicContact CB-CE1 3.85Å; V256-Y274 HydrophobicContact CB-CG 4.08Å; V256-Y274 HydrophobicContact CG1-CD1 3.59Å; V256-Y274 HydrophobicContact CG1-CD2 4.22Å; V256-Y274 HydrophobicContact CG1-CE1 4.24Å; V256-Y274 HydrophobicContact CG1-CG 3.57Å; V256-Y274 HydrophobicContact CG2-CD1 3.77Å; V256-Y274 HydrophobicContact CG2-CE1 3.55Å; V256-Y274 HydrophobicContact CG2-CG 4.34Å; Y274-A276 HydrophobicContact CE1-CB 3.91Å |
| 275 | A | 97.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V177 E178 S179 L229 Y277 | V177-A275 PolarHBondContact O-N 3.42Å; E178-A275 CarbonylContact C-O 3.1Å; E178-A275 WeakPolarHBondContact CA-O 3.45Å; E178-A275 HydrophobicContact CG-CB 4.48Å; S179-A275 PolarHBondContact N-O 3.19Å; L229-A275 HydrophobicContact CD2-CB 3.83Å; A275-Y277 HydrophobicContact CB-CE2 3.77Å |
| 276 | A | 97.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | F248 D252 V253 Y274 | F248-A276 HydrophobicContact CB-CB 3.93Å; F248-A276 HydrophobicContact CD1-CB 4.28Å; F248-A276 PolarHBondContact N-O 2.92Å; D252-A276 HydrophobicContact CB-CB 4.48Å; V253-A276 HydrophobicContact CG2-CB 3.78Å; Y274-A276 HydrophobicContact CE1-CB 3.91Å |
| 277 | Y | 97.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.3 | 179.8 | -52.3 | -86.5 | 0 | 0 | 0 | 110.7 | E178 S179 F180 L181 R232 I246 A275 | E178-Y277 HydrophobicContact CB-CD2 4.48Å; E178-Y277 HydrophobicContact CB-CE2 4.07Å; E178-Y277 HydrophobicContact CG-CE2 4.11Å; E178-Y277 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y277 PolarHBondContact OE1-OH 3Å; S179-Y277 PolarHBondContact O-N 2.88Å; F180-Y277 CarbonylContact C-O 3.37Å; F180-Y277 WeakPolarHBondContact CA-O 3.14Å; F180-Y277 HydrophobicContact CD1-CD2 4.35Å; F180-Y277 HydrophobicContact CD1-CG 4.38Å; F180-Y277 AromaticContact CE1-CD2 3.82Å; F180-Y277 HydrophobicContact CE1-CD2 3.82Å; F180-Y277 AromaticContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE2-CD2 4.12Å; F180-Y277 AromaticContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CE2 4.16Å; F180-Y277 HydrophobicContact CZ-CG 4.29Å; L181-Y277 PolarHBondContact N-O 2.94Å; R232-Y277 HydrophobicContact CB-CE1 3.8Å; R232-Y277 HydrophobicContact CG-CE1 4.29Å; R232-Y277 WeakPolarHBondContact CG-OH 3.31Å; R232-Y277 PolarHBondContact N-OH 2.79Å; I246-Y277 CarbonylContact O-C 3.58Å; I246-Y277 WeakPolarHBondContact O-CA 3.3Å; I246-Y277 WeakPolarHBondContact O-CB 3.32Å; A275-Y277 HydrophobicContact CB-CE2 3.77Å |
| 278 | V | 96.1 | Very high | 93.2 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.4 | 168.8 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | L181 S245 I246 F248 V280 | L181-V278 HydrophobicContact CB-CG2 4.34Å; L181-V278 HydrophobicContact CD2-CG2 4.45Å; L181-V278 CarbonylContact O-C 3.46Å; L181-V278 WeakPolarHBondContact O-CA 3.35Å; L181-V278 WeakPolarHBondContact O-CG1 3.25Å; S245-V278 CarbonylContact C-O 3.5Å; S245-V278 WeakPolarHBondContact CA-O 3.42Å; I246-V278 HydrophobicContact CG1-CB 4.47Å; I246-V278 PolarHBondContact N-O 3.1Å; I246-V278 PolarHBondContact O-N 3.34Å; F248-V278 HydrophobicContact CB-CG2 3.89Å; F248-V278 HydrophobicContact CD2-CG2 3.42Å; F248-V278 VanDerWaalsContact CD2-CG2 3.42Å; F248-V278 HydrophobicContact CE2-CG2 4.34Å; F248-V278 HydrophobicContact CG-CG2 4.06Å; V278-V280 HydrophobicContact CB-CG1 4.49Å; V278-V280 HydrophobicContact CG1-CG1 4.13Å |
| 279 | T | 96.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 41 Ų | 41 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.7 | 170.8 | -53.9 | 0 | 0 | 0 | 0 | 108.8 | L181 T182 Y244 | L181-T279 PolarHBondContact O-N 3.21Å; T182-T279 WeakPolarHBondContact OG1-CB 3.2Å; Y244-T279 CarbonylContact O-C 3.59Å; Y244-T279 WeakPolarHBondContact O-CA 3.31Å |
| 280 | V | 92.1 | Very high | 92.7 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 15% | 0.145 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 2.7 | -172.9 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | Y244 I246 V278 S285 V286 L289 | Y244-V280 WeakPolarHBondContact O-CG2 3.45Å; Y244-V280 PolarHBondContact O-N 2.68Å; I246-V280 HydrophobicContact CD1-CG1 3.95Å; I246-V280 HydrophobicContact CG1-CG1 3.94Å; V278-V280 HydrophobicContact CB-CG1 4.49Å; V278-V280 HydrophobicContact CG1-CG1 4.13Å; V280-S285 WeakPolarHBondContact O-CB 3.27Å; V280-S285 PolarHBondContact O-OG 2.69Å; V280-V286 HydrophobicContact CG2-CG2 3.56Å; V280-L289 HydrophobicContact CB-CD1 3.62Å; V280-L289 HydrophobicContact CG1-CD1 3.37Å; V280-L289 HydrophobicContact CG2-CD1 4.29Å |
| 281 | G | 90.7 | Very high | 92.5 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.5 | -129.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y244 | Y244-G281 WeakPolarHBondContact CB-O 3.48Å; Y244-G281 PolarHBondContact N-O 3.25Å |
| 282 | G | 92 | Very high | 92.2 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -79.1 | 171.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T284 S285 V286 | G282-T284 PolarHBondContact O-N 3.01Å; G282-S285 WeakPolarHBondContact O-CB 3.05Å; G282-S285 PolarHBondContact O-N 2.65Å; G282-S285 VanDerWaalsContact O-N 3.13Å; G282-V286 PolarHBondContact O-N 3.19Å |
| 283 | I | 89.5 | Confident | 91.7 | Very high | 81 Ų | 81 | 49.4 Ų | 49.4 | 42% | 0.415 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.2 | -30.4 | 178.9 | -167.1 | 64 | 0 | 0 | 0 | 112.7 | Y244 S285 V286 I287 | Y244-I283 HydrophobicContact CD1-CD1 4.42Å; Y244-I283 HydrophobicContact CD2-CB 4.39Å; Y244-I283 HydrophobicContact CE1-CD1 3.99Å; Y244-I283 HydrophobicContact CE2-CB 3.9Å; Y244-I283 HydrophobicContact CE2-CD1 4.26Å; I283-S285 PolarHBondContact O-N 3.44Å; I283-V286 HydrophobicContact CD1-CB 4.38Å; I283-V286 WeakPolarHBondContact O-CB 3.33Å; I283-V286 PolarHBondContact O-N 3.09Å; I283-I287 HydrophobicContact CG1-CD1 4.37Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.01Å |
| 284 | T | 88.6 | Confident | 91.4 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.3 | -39.3 | 176.3 | 51.1 | 0 | 0 | 0 | 0 | 112 | G282 I287 K288 | G282-T284 PolarHBondContact O-N 3.01Å; T284-I287 PolarHBondContact O-N 2.96Å; T284-K288 WeakPolarHBondContact O-CG 3.34Å; T284-K288 PolarHBondContact O-N 2.87Å; T284-K288 VanDerWaalsContact O-N 3.09Å |
| 285 | S | 89 | Confident | 91 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 173.9 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | V280 G282 I283 I287 K288 L289 | V280-S285 WeakPolarHBondContact O-CB 3.27Å; V280-S285 PolarHBondContact O-OG 2.69Å; G282-S285 WeakPolarHBondContact O-CB 3.05Å; G282-S285 PolarHBondContact O-N 2.65Å; G282-S285 VanDerWaalsContact O-N 3.13Å; I283-S285 PolarHBondContact O-N 3.44Å; S285-I287 PolarHBondContact O-N 2.94Å; S285-K288 PolarHBondContact O-N 3.47Å; S285-L289 WeakPolarHBondContact O-CB 3.26Å; S285-L289 WeakPolarHBondContact O-CG 3.36Å; S285-L289 PolarHBondContact O-N 3.22Å |
| 286 | V | 89.1 | Confident | 90.7 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.9 | -50.1 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | I235 Y244 V280 G282 I283 K288 L289 M290 | I235-V286 HydrophobicContact CD1-CG1 3.86Å; I235-V286 HydrophobicContact CG1-CG1 4.01Å; I235-V286 HydrophobicContact CG2-CG1 3.83Å; I235-V286 HydrophobicContact CG2-CG2 4.49Å; Y244-V286 VanDerWaalsContact CB-CG2 3.41Å; Y244-V286 HydrophobicContact CD1-CG2 4.32Å; Y244-V286 HydrophobicContact CD2-CG2 4.46Å; Y244-V286 HydrophobicContact CG-CG2 3.83Å; V280-V286 HydrophobicContact CG2-CG2 3.56Å; G282-V286 PolarHBondContact O-N 3.19Å; I283-V286 HydrophobicContact CD1-CB 4.38Å; I283-V286 WeakPolarHBondContact O-CB 3.33Å; I283-V286 PolarHBondContact O-N 3.09Å; V286-K288 PolarHBondContact O-N 3.4Å; V286-L289 PolarHBondContact O-N 3.26Å; V286-M290 HydrophobicContact CG1-CG 4.29Å; V286-M290 HydrophobicContact CG1-SD 4.19Å; V286-M290 WeakPolarHBondContact O-CG 3.38Å; V286-M290 PolarHBondContact O-N 2.69Å |
| 287 | I | 88.6 | Confident | 90.4 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -47.9 | -179.6 | -67.9 | 165.7 | 0 | 0 | 0 | 110.6 | I283 T284 S285 L289 M290 F291 | I283-I287 HydrophobicContact CG1-CD1 4.37Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.01Å; T284-I287 PolarHBondContact O-N 2.96Å; S285-I287 PolarHBondContact O-N 2.94Å; I287-L289 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 2.82Å; I287-M290 PolarHBondContact O-N 3.45Å; I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.62Å; I287-F291 VanDerWaalsContact O-CD2 3.25Å; I287-F291 WeakPolarHBondContact O-CD2 3.3Å; I287-F291 PolarHBondContact O-N 3.13Å |
| 288 | K | 87.6 | Confident | 90.1 | Very high | 156 Ų | 156 | 66.5 Ų | 66.5 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.8 | -46 | 177.2 | -71.9 | 176.1 | -177.1 | -179.3 | 0 | 112 | T284 S285 V286 F291 A292 | T284-K288 WeakPolarHBondContact O-CG 3.34Å; T284-K288 PolarHBondContact O-N 2.87Å; T284-K288 VanDerWaalsContact O-N 3.09Å; S285-K288 PolarHBondContact O-N 3.47Å; V286-K288 PolarHBondContact O-N 3.4Å; K288-F291 PolarHBondContact O-N 3.16Å; K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.18Å |
| 289 | L | 87.7 | Confident | 89.9 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 179 | -76.1 | 170.7 | 0 | 0 | 0 | 112.6 | I246 V280 S285 V286 I287 A292 G293 | I246-L289 HydrophobicContact CD1-CD1 4.4Å; V280-L289 HydrophobicContact CB-CD1 3.62Å; V280-L289 HydrophobicContact CG1-CD1 3.37Å; V280-L289 HydrophobicContact CG2-CD1 4.29Å; S285-L289 WeakPolarHBondContact O-CB 3.26Å; S285-L289 WeakPolarHBondContact O-CG 3.36Å; S285-L289 PolarHBondContact O-N 3.22Å; V286-L289 PolarHBondContact O-N 3.26Å; I287-L289 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 2.82Å; L289-A292 PolarHBondContact O-N 2.69Å; L289-G293 PolarHBondContact O-N 2.66Å |
| 290 | M | 88 | Confident | 89.8 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.6 | -75.1 | -174.2 | 75.4 | 0 | 0 | 111.5 | I235 V286 I287 G293 L294 | I235-M290 HydrophobicContact CD1-CE 4.06Å; I235-M290 HydrophobicContact CD1-CG 4.31Å; I235-M290 HydrophobicContact CD1-SD 3.37Å; I235-M290 WeakPolarHBondContact CD1-SD 3.44Å; V286-M290 HydrophobicContact CG1-CG 4.29Å; V286-M290 HydrophobicContact CG1-SD 4.19Å; V286-M290 WeakPolarHBondContact O-CG 3.38Å; V286-M290 PolarHBondContact O-N 2.69Å; I287-M290 PolarHBondContact O-N 3.45Å; M290-G293 PolarHBondContact O-N 2.74Å; M290-L294 WeakPolarHBondContact O-CB 3.49Å; M290-L294 WeakPolarHBondContact O-CG 3.42Å; M290-L294 PolarHBondContact O-N 2.83Å |
| 291 | F | 88.1 | Confident | 89.6 | Confident | 149 Ų | 149 | 74.5 Ų | 74.5 | 65% | 0.654 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 176.5 | -82.3 | -70.3 | 0 | 0 | 0 | 111.6 | I287 K288 G293 L294 F295 | I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.62Å; I287-F291 VanDerWaalsContact O-CD2 3.25Å; I287-F291 WeakPolarHBondContact O-CD2 3.3Å; I287-F291 PolarHBondContact O-N 3.13Å; K288-F291 PolarHBondContact O-N 3.16Å; F291-G293 VanDerWaalsContact C-N 3.33Å; F291-G293 PolarHBondContact O-N 2.82Å; F291-L294 PolarHBondContact O-N 3.29Å; F291-F295 VanDerWaalsContact O-CB 3.27Å; F291-F295 WeakPolarHBondContact O-CB 3.48Å; F291-F295 PolarHBondContact O-N 3.39Å |
| 292 | A | 87.4 | Confident | 89.5 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K288 L289 F296 F318 | K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.18Å; L289-A292 PolarHBondContact O-N 2.69Å; A292-F296 VanDerWaalsContact O-CB 3.29Å; A292-F296 WeakPolarHBondContact O-CB 3.45Å; A292-F296 PolarHBondContact O-N 2.86Å; A292-F318 HydrophobicContact CB-CD2 4.05Å; A292-F318 HydrophobicContact CB-CE2 3.79Å |
| 293 | G | 88.2 | Confident | 89.3 | Confident | 28 Ų | 28 | 78.7 Ų | 78.7 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.6 | -45 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | L289 M290 F291 F295 F296 L297 | L289-G293 PolarHBondContact O-N 2.66Å; M290-G293 PolarHBondContact O-N 2.74Å; F291-G293 VanDerWaalsContact C-N 3.33Å; F291-G293 PolarHBondContact O-N 2.82Å; G293-F295 VanDerWaalsContact C-N 3.34Å; G293-F296 PolarHBondContact O-N 3.09Å; G293-L297 WeakPolarHBondContact O-CB 3.3Å; G293-L297 VanDerWaalsContact O-CG 3.24Å; G293-L297 WeakPolarHBondContact O-CG 3.43Å; G293-L297 PolarHBondContact O-N 2.77Å |
| 294 | L | 89.5 | Confident | 89.5 | Confident | 112 Ų | 112 | 81.4 Ų | 81.4 | 59% | 0.586 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 175.2 | -73.3 | 173.8 | 0 | 0 | 0 | 111.4 | M290 F291 L297 F298 | M290-L294 WeakPolarHBondContact O-CB 3.49Å; M290-L294 WeakPolarHBondContact O-CG 3.42Å; M290-L294 PolarHBondContact O-N 2.83Å; F291-L294 PolarHBondContact O-N 3.29Å; L294-L297 PolarHBondContact O-N 3.48Å; L294-F298 WeakPolarHBondContact O-CB 3.44Å; L294-F298 PolarHBondContact O-N 3.32Å |
| 295 | F | 89.2 | Confident | 89.8 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.4 | -171.9 | -107.5 | 0 | 0 | 0 | 111 | F291 G293 L297 F298 F299 F316 | F291-F295 VanDerWaalsContact O-CB 3.27Å; F291-F295 WeakPolarHBondContact O-CB 3.48Å; F291-F295 PolarHBondContact O-N 3.39Å; G293-F295 VanDerWaalsContact C-N 3.34Å; F295-L297 PolarHBondContact O-N 3.28Å; F295-F298 WeakPolarHBondContact O-CB 3.32Å; F295-F298 PolarHBondContact O-N 3.42Å; F295-F299 HydrophobicContact CD1-CD2 4.35Å; F295-F299 HydrophobicContact CD1-CE2 4.42Å; F295-F299 HydrophobicContact CD2-CD2 4.32Å; F295-F299 AromaticContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CE1-CD2 4.2Å; F295-F299 AromaticContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE2-CD2 4.15Å; F295-F299 AromaticContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CZ 4.19Å; F295-F299 HydrophobicContact CG-CD2 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.39Å; F295-F299 HydrophobicContact CZ-CD2 4.08Å; F295-F299 AromaticContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CE2 3.4Å; F295-F299 VanDerWaalsContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CZ 4.03Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 2.7Å; F295-F316 HydrophobicContact CD1-CD1 4.32Å; F295-F316 AromaticContact CE1-CD1 3.39Å; F295-F316 HydrophobicContact CE1-CD1 3.39Å; F295-F316 AromaticContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CG 4.47Å; F295-F316 HydrophobicContact CZ-CD1 4Å; F295-F316 AromaticContact CZ-CE1 3.81Å; F295-F316 HydrophobicContact CZ-CE1 3.81Å |
| 296 | F | 92.1 | Very high | 90 | Very high | 20 Ų | 20 | 78.8 Ų | 78.8 | 9% | 0.088 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.1 | -50.8 | 175.7 | 175.8 | -100.3 | 0 | 0 | 0 | 112.5 | W197 A200 I201 F204 A292 G293 F298 F299 V300 L309 | W197-F296 HydrophobicContact CE3-CE2 4.31Å; W197-F296 AromaticContact CH2-CD2 3.27Å; W197-F296 HydrophobicContact CH2-CD2 3.27Å; W197-F296 AromaticContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CG 4.32Å; W197-F296 AromaticContact CZ2-CD2 3.77Å; W197-F296 HydrophobicContact CZ2-CD2 3.77Å; W197-F296 AromaticContact CZ2-CE2 3.87Å; W197-F296 HydrophobicContact CZ2-CE2 3.87Å; W197-F296 AromaticContact CZ3-CD2 3.87Å; W197-F296 HydrophobicContact CZ3-CD2 3.87Å; W197-F296 AromaticContact CZ3-CE2 3.76Å; W197-F296 HydrophobicContact CZ3-CE2 3.76Å; A200-F296 HydrophobicContact CB-CZ 4.28Å; I201-F296 HydrophobicContact CG1-CE2 3.7Å; I201-F296 HydrophobicContact CG1-CZ 4.11Å; F204-F296 HydrophobicContact CB-CE1 4.06Å; F204-F296 HydrophobicContact CD1-CE1 4.41Å; F204-F296 AromaticContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CZ 4.31Å; F204-F296 HydrophobicContact CE2-CE1 4.33Å; F204-F296 AromaticContact CG-CE1 3.85Å; F204-F296 HydrophobicContact CG-CE1 3.85Å; A292-F296 VanDerWaalsContact O-CB 3.29Å; A292-F296 WeakPolarHBondContact O-CB 3.45Å; A292-F296 PolarHBondContact O-N 2.86Å; G293-F296 PolarHBondContact O-N 3.09Å; F296-F298 VanDerWaalsContact C-N 3.26Å; F296-F298 PolarHBondContact O-N 2.89Å; F296-F299 PolarHBondContact O-N 2.9Å; F296-V300 HydrophobicContact CD1-CG2 4.01Å; F296-V300 HydrophobicContact CD2-CG2 4.05Å; F296-V300 HydrophobicContact CE1-CG2 3.66Å; F296-V300 HydrophobicContact CE2-CG2 3.71Å; F296-V300 HydrophobicContact CG-CG2 4.21Å; F296-V300 HydrophobicContact CZ-CG2 3.51Å; F296-V300 VanDerWaalsContact O-CG2 3.31Å; F296-V300 WeakPolarHBondContact O-CG2 3.27Å; F296-V300 PolarHBondContact O-N 3.12Å; F296-L309 HydrophobicContact CD2-CD1 4.07Å; F296-L309 HydrophobicContact CD2-CD2 4.41Å; F296-L309 HydrophobicContact CE2-CD1 4.14Å |
| 297 | L | 90.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 84.4 Ų | 84.4 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | -179.1 | -72.1 | 172.9 | 0 | 0 | 0 | 112.5 | F204 G293 L294 F295 | F204-L297 HydrophobicContact CD1-CD2 3.7Å; F204-L297 HydrophobicContact CE1-CD2 4.12Å; G293-L297 WeakPolarHBondContact O-CB 3.3Å; G293-L297 VanDerWaalsContact O-CG 3.24Å; G293-L297 WeakPolarHBondContact O-CG 3.43Å; G293-L297 PolarHBondContact O-N 2.77Å; L294-L297 PolarHBondContact O-N 3.48Å; F295-L297 PolarHBondContact O-N 3.28Å |
| 298 | F | 91.9 | Very high | 90.5 | Very high | 130 Ų | 130 | 83.3 Ų | 83.3 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.3 | -50.4 | 174.3 | 176.9 | -98 | 0 | 0 | 0 | 111.7 | L294 F295 F296 R301 | L294-F298 WeakPolarHBondContact O-CB 3.44Å; L294-F298 PolarHBondContact O-N 3.32Å; F295-F298 WeakPolarHBondContact O-CB 3.32Å; F295-F298 PolarHBondContact O-N 3.42Å; F296-F298 VanDerWaalsContact C-N 3.26Å; F296-F298 PolarHBondContact O-N 2.89Å; F298-R301 PolarHBondContact O-N 2.98Å |
| 299 | F | 92.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 75.9 Ų | 75.9 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.6 | -34.3 | -178.2 | -82.2 | -92.8 | 0 | 0 | 0 | 113.1 | F295 F296 R301 F302 G305 R306 L308 L309 F316 | F295-F299 HydrophobicContact CD1-CD2 4.35Å; F295-F299 HydrophobicContact CD1-CE2 4.42Å; F295-F299 HydrophobicContact CD2-CD2 4.32Å; F295-F299 AromaticContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CE1-CD2 4.2Å; F295-F299 AromaticContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE2-CD2 4.15Å; F295-F299 AromaticContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CZ 4.19Å; F295-F299 HydrophobicContact CG-CD2 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.39Å; F295-F299 HydrophobicContact CZ-CD2 4.08Å; F295-F299 AromaticContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CE2 3.4Å; F295-F299 VanDerWaalsContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CZ 4.03Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 2.7Å; F296-F299 PolarHBondContact O-N 2.9Å; F299-R301 PolarHBondContact O-N 3.07Å; F299-F302 PolarHBondContact O-N 3.33Å; F299-G305 CarbonylContact O-C 3.57Å; F299-G305 VanDerWaalsContact O-C 3.26Å; F299-G305 VanDerWaalsContact O-CA 3.26Å; F299-G305 WeakPolarHBondContact O-CA 3.34Å; F299-R306 PolarHBondContact O-N 3.33Å; F299-L308 HydrophobicContact CD1-CD1 4.29Å; F299-L308 HydrophobicContact CE1-CD1 3.89Å; F299-L309 HydrophobicContact CB-CD1 3.69Å; F299-L309 HydrophobicContact CB-CD2 3.89Å; F299-L309 HydrophobicContact CB-CG 3.78Å; F299-L309 HydrophobicContact CG-CD2 4.38Å; F299-F316 HydrophobicContact CD1-CE1 4.04Å; F299-F316 HydrophobicContact CD2-CE1 4.3Å; F299-F316 AromaticContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CZ 4.25Å; F299-F316 HydrophobicContact CE2-CE1 4.09Å; F299-F316 HydrophobicContact CG-CE1 4.31Å; F299-F316 AromaticContact CZ-CE1 3.84Å; F299-F316 HydrophobicContact CZ-CE1 3.84Å |
| 300 | V | 92.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -26.6 | -179.8 | 167.8 | 0 | 0 | 0 | 0 | 112.8 | I201 F204 G205 F296 F302 R306 L309 | I201-V300 HydrophobicContact CG2-CG2 4.4Å; I201-V300 WeakPolarHBondContact O-CG1 3.46Å; F204-V300 HydrophobicContact CB-CG1 3.88Å; G205-V300 VanDerWaalsContact N-CG1 3.32Å; F296-V300 HydrophobicContact CD1-CG2 4.01Å; F296-V300 HydrophobicContact CD2-CG2 4.05Å; F296-V300 HydrophobicContact CE1-CG2 3.66Å; F296-V300 HydrophobicContact CE2-CG2 3.71Å; F296-V300 HydrophobicContact CG-CG2 4.21Å; F296-V300 HydrophobicContact CZ-CG2 3.51Å; F296-V300 VanDerWaalsContact O-CG2 3.31Å; F296-V300 WeakPolarHBondContact O-CG2 3.27Å; F296-V300 PolarHBondContact O-N 3.12Å; V300-F302 VanDerWaalsContact C-N 3.28Å; V300-F302 PolarHBondContact O-N 2.72Å; V300-R306 WeakPolarHBondContact O-CD 3.35Å; V300-R306 VanDerWaalsContact O-CG 3.31Å; V300-R306 WeakPolarHBondContact O-CG 3.37Å; V300-R306 PolarHBondContact O-NH1 3.47Å; V300-L309 HydrophobicContact CB-CD1 4.48Å; V300-L309 HydrophobicContact CG2-CD1 3.49Å; V300-L309 VanDerWaalsContact CG2-CD1 3.49Å |
| 301 | R | 87.9 | Confident | 91.4 | Very high | 198 Ų | 198 | 75.3 Ų | 75.3 | 75% | 0.747 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.6 | -175.3 | -168.9 | 172.2 | 179.9 | 97.6 | -1.5 | 113.8 | F298 F299 | F298-R301 PolarHBondContact O-N 2.98Å; F299-R301 PolarHBondContact O-N 3.07Å |
| 302 | F | 88.6 | Confident | 91.7 | Very high | 116 Ų | 116 | 72.9 Ų | 72.9 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -120.9 | 147.2 | -174.5 | -50.5 | -81 | 0 | 0 | 0 | 111.7 | F299 V300 I304 G305 R306 | F299-F302 PolarHBondContact O-N 3.33Å; V300-F302 VanDerWaalsContact C-N 3.28Å; V300-F302 PolarHBondContact O-N 2.72Å; F302-I304 PolarHBondContact O-N 3.45Å; F302-G305 PolarHBondContact O-N 3.32Å; F302-G305 VanDerWaalsContact O-N 3.12Å; F302-R306 PolarHBondContact O-N 3.14Å |
| 303 | G | 89.6 | Confident | 92 | Very high | 43 Ų | 43 | 71.9 Ų | 71.9 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.3 | -46.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G305 R306 Q307 | G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 3.16Å; G303-R306 PolarHBondContact O-N 2.67Å; G303-Q307 WeakPolarHBondContact O-CG 3.17Å; G303-Q307 PolarHBondContact O-N 3.33Å; G303-Q307 VanDerWaalsContact O-N 3.12Å |
| 304 | I | 93.4 | Very high | 92.1 | Very high | 137 Ų | 137 | 78.5 Ų | 78.5 | 70% | 0.703 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.4 | -41.5 | 176.9 | -62.2 | 172.4 | 0 | 0 | 0 | 110.8 | F302 R306 Q307 L308 | F302-I304 PolarHBondContact O-N 3.45Å; I304-R306 PolarHBondContact O-N 3.32Å; I304-Q307 WeakPolarHBondContact O-CB 3.45Å; I304-Q307 PolarHBondContact O-N 3.24Å; I304-Q307 VanDerWaalsContact O-N 3.16Å; I304-L308 HydrophobicContact CG2-CD1 4.49Å; I304-L308 PolarHBondContact O-N 3.32Å |
| 305 | G | 93.4 | Very high | 92.3 | Very high | 7 Ų | 7 | 79.5 Ų | 79.5 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F299 F302 G303 Q307 L308 L309 | F299-G305 CarbonylContact O-C 3.57Å; F299-G305 VanDerWaalsContact O-C 3.26Å; F299-G305 VanDerWaalsContact O-CA 3.26Å; F299-G305 WeakPolarHBondContact O-CA 3.34Å; F302-G305 PolarHBondContact O-N 3.32Å; F302-G305 VanDerWaalsContact O-N 3.12Å; G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 3.16Å; G305-Q307 VanDerWaalsContact C-N 3.32Å; G305-Q307 PolarHBondContact O-N 2.9Å; G305-L308 WeakPolarHBondContact O-CB 3.17Å; G305-L308 PolarHBondContact O-N 2.99Å; G305-L308 VanDerWaalsContact O-N 3.17Å; G305-L309 WeakPolarHBondContact O-CG 3.45Å; G305-L309 PolarHBondContact O-N 3.08Å |
| 306 | R | 94 | Very high | 92.4 | Very high | 75 Ų | 75 | 76.9 Ų | 76.9 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 172 | -67.4 | -169.1 | -67.9 | -124.2 | 8.2 | 112.6 | I201 F299 V300 F302 G303 I304 L308 L309 I310 | I201-R306 HydrophobicContact CG2-CB 3.89Å; I201-R306 HydrophobicContact CG2-CG 3.72Å; F299-R306 PolarHBondContact O-N 3.33Å; V300-R306 WeakPolarHBondContact O-CD 3.35Å; V300-R306 VanDerWaalsContact O-CG 3.31Å; V300-R306 WeakPolarHBondContact O-CG 3.37Å; V300-R306 PolarHBondContact O-NH1 3.47Å; F302-R306 PolarHBondContact O-N 3.14Å; G303-R306 PolarHBondContact O-N 2.67Å; I304-R306 PolarHBondContact O-N 3.32Å; R306-L308 VanDerWaalsContact C-N 3.32Å; R306-L308 PolarHBondContact O-N 2.71Å; R306-L309 PolarHBondContact O-N 3.13Å; R306-I310 VanDerWaalsContact O-CG1 3.25Å; R306-I310 WeakPolarHBondContact O-CG1 3.33Å; R306-I310 PolarHBondContact O-N 2.9Å |
| 307 | Q | 93.6 | Very high | 92.3 | Very high | 120 Ų | 120 | 76.3 Ų | 76.3 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.9 | -38.5 | 177.3 | -67.8 | -64.4 | -11.9 | 0 | 0 | 112.2 | G303 I304 G305 I310 K311 | G303-Q307 WeakPolarHBondContact O-CG 3.17Å; G303-Q307 PolarHBondContact O-N 3.33Å; G303-Q307 VanDerWaalsContact O-N 3.12Å; I304-Q307 WeakPolarHBondContact O-CB 3.45Å; I304-Q307 PolarHBondContact O-N 3.24Å; I304-Q307 VanDerWaalsContact O-N 3.16Å; G305-Q307 VanDerWaalsContact C-N 3.32Å; G305-Q307 PolarHBondContact O-N 2.9Å; Q307-I310 PolarHBondContact O-N 3.19Å; Q307-K311 VanDerWaalsContact O-CB 3.25Å; Q307-K311 WeakPolarHBondContact O-CB 3.39Å; Q307-K311 PolarHBondContact O-N 2.84Å |
| 308 | L | 94.4 | Very high | 92.2 | Very high | 60 Ų | 60 | 78.6 Ų | 78.6 | 31% | 0.314 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.8 | -70 | 172.9 | 0 | 0 | 0 | 111.9 | F299 I304 G305 R306 I310 K311 F312 F316 | F299-L308 HydrophobicContact CD1-CD1 4.29Å; F299-L308 HydrophobicContact CE1-CD1 3.89Å; I304-L308 HydrophobicContact CG2-CD1 4.49Å; I304-L308 PolarHBondContact O-N 3.32Å; G305-L308 WeakPolarHBondContact O-CB 3.17Å; G305-L308 PolarHBondContact O-N 2.99Å; G305-L308 VanDerWaalsContact O-N 3.17Å; R306-L308 VanDerWaalsContact C-N 3.32Å; R306-L308 PolarHBondContact O-N 2.71Å; L308-I310 VanDerWaalsContact C-N 3.26Å; L308-I310 PolarHBondContact O-N 3.1Å; L308-K311 PolarHBondContact O-N 3.09Å; L308-F312 HydrophobicContact CD2-CD2 4.38Å; L308-F312 HydrophobicContact CD2-CE2 4.2Å; L308-F312 PolarHBondContact O-N 3.06Å; L308-F316 HydrophobicContact CB-CE2 4.05Å; L308-F316 HydrophobicContact CB-CZ 3.98Å |
| 309 | L | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 176.7 | -63.9 | 173.8 | 0 | 0 | 0 | 111.6 | W197 I201 F296 F299 V300 G305 R306 F316 | W197-L309 HydrophobicContact CZ2-CB 4.45Å; W197-L309 HydrophobicContact CZ2-CD2 4.04Å; W197-L309 PolarHBondContact NE1-O 3.22Å; I201-L309 HydrophobicContact CD1-CB 3.47Å; I201-L309 VanDerWaalsContact CD1-CB 3.47Å; I201-L309 HydrophobicContact CD1-CD1 4.37Å; I201-L309 HydrophobicContact CG1-CB 4.09Å; I201-L309 HydrophobicContact CG1-CD1 4.07Å; F296-L309 HydrophobicContact CD2-CD1 4.07Å; F296-L309 HydrophobicContact CD2-CD2 4.41Å; F296-L309 HydrophobicContact CE2-CD1 4.14Å; F299-L309 HydrophobicContact CB-CD1 3.69Å; F299-L309 HydrophobicContact CB-CD2 3.89Å; F299-L309 HydrophobicContact CB-CG 3.78Å; F299-L309 HydrophobicContact CG-CD2 4.38Å; V300-L309 HydrophobicContact CB-CD1 4.48Å; V300-L309 HydrophobicContact CG2-CD1 3.49Å; V300-L309 VanDerWaalsContact CG2-CD1 3.49Å; G305-L309 WeakPolarHBondContact O-CG 3.45Å; G305-L309 PolarHBondContact O-N 3.08Å; R306-L309 PolarHBondContact O-N 3.13Å; L309-F316 HydrophobicContact CD2-CB 3.63Å; L309-F316 HydrophobicContact CD2-CD1 3.52Å; L309-F316 HydrophobicContact CD2-CE1 4.42Å; L309-F316 HydrophobicContact CD2-CG 3.72Å |
| 310 | I | 93.9 | Very high | 92 | Very high | 26 Ų | 26 | 77.8 Ų | 77.8 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.7 | -40.4 | 178.9 | -67.1 | 169.1 | 0 | 0 | 0 | 111.8 | K198 I201 Y202 R306 Q307 L308 | K198-I310 HydrophobicContact CG-CG1 4.31Å; K198-I310 HydrophobicContact CG-CG2 4.4Å; I201-I310 HydrophobicContact CD1-CG1 3.68Å; Y202-I310 HydrophobicContact CE2-CD1 3.91Å; Y202-I310 WeakPolarHBondContact OH-CD1 3.22Å; R306-I310 VanDerWaalsContact O-CG1 3.25Å; R306-I310 WeakPolarHBondContact O-CG1 3.33Å; R306-I310 PolarHBondContact O-N 2.9Å; Q307-I310 PolarHBondContact O-N 3.19Å; L308-I310 VanDerWaalsContact C-N 3.26Å; L308-I310 PolarHBondContact O-N 3.1Å |
| 311 | K | 94.5 | Very high | 92 | Very high | 132 Ų | 132 | 79 Ų | 79 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.8 | -38.5 | -175.3 | -171.9 | 171.7 | -179.8 | 179.5 | 0 | 111.8 | Q307 L308 P313 K323 | Q307-K311 VanDerWaalsContact O-CB 3.25Å; Q307-K311 WeakPolarHBondContact O-CB 3.39Å; Q307-K311 PolarHBondContact O-N 2.84Å; L308-K311 PolarHBondContact O-N 3.09Å; K311-P313 VanDerWaalsContact C-CD 3.42Å; K311-P313 WeakPolarHBondContact O-CD 3.48Å; K311-K323 PolarHBondContact O-NZ 3.29Å |
| 312 | F | 94 | Very high | 92.3 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 43% | 0.425 | 33% | 0.33 | S | S | . | . | trans | -123.1 | 59.8 | -174 | -53.7 | -72.9 | 0 | 0 | 0 | 112.5 | L308 W314 F315 F316 | L308-F312 HydrophobicContact CD2-CD2 4.38Å; L308-F312 HydrophobicContact CD2-CE2 4.2Å; L308-F312 PolarHBondContact O-N 3.06Å; F312-W314 VanDerWaalsContact C-N 3.31Å; F312-W314 PolarHBondContact O-N 2.9Å; F312-F315 HydrophobicContact CB-CB 4.33Å; F312-F315 PolarHBondContact O-N 3.25Å; F312-F316 HydrophobicContact CB-CD2 3.86Å; F312-F316 HydrophobicContact CB-CE2 4.07Å; F312-F316 HydrophobicContact CD2-CE2 4.3Å; F312-F316 WeakPolarHBondContact O-CD2 3.36Å; F312-F316 PolarHBondContact O-N 2.94Å; F312-F316 VanDerWaalsContact O-N 3.12Å | ||
| 313 | P | 93.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.045 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -41 | -172.6 | 24.8 | -33.9 | 0 | 0 | 0 | 112.1 | D194 W197 K311 F315 F316 S317 F321 K323 | D194-P313 HydrophobicContact CB-CB 4.28Å; D194-P313 HydrophobicContact CB-CG 4.16Å; W197-P313 HydrophobicContact CG-CB 4.45Å; K311-P313 VanDerWaalsContact C-CD 3.42Å; K311-P313 WeakPolarHBondContact O-CD 3.48Å; P313-F315 PolarHBondContact O-N 2.8Å; P313-F316 PolarHBondContact O-N 2.88Å; P313-S317 WeakPolarHBondContact O-CB 3.22Å; P313-S317 PolarHBondContact O-N 3.25Å; P313-S317 PolarHBondContact O-OG 2.98Å; P313-F321 CarbonylContact C-O 3.52Å; P313-F321 VanDerWaalsContact C-O 3.29Å; P313-F321 HydrophobicContact CB-CB 4.36Å; P313-K323 HydrophobicContact CG-CG 4.11Å |
| 314 | W | 92 | Very high | 92.7 | Very high | 167 Ų | 167 | 75 Ų | 75 | 63% | 0.633 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.1 | -45.3 | -179.3 | -175.7 | 91.1 | 0 | 0 | 0 | 112.4 | F312 F318 G319 F321 | F312-W314 VanDerWaalsContact C-N 3.31Å; F312-W314 PolarHBondContact O-N 2.9Å; W314-F318 PolarHBondContact O-N 2.83Å; W314-G319 PolarHBondContact O-N 2.8Å; W314-F321 WeakPolarHBondContact CA-O 3.45Å; W314-F321 PolarHBondContact N-O 3.4Å; W314-F321 VanDerWaalsContact N-O 3.08Å |
| 315 | F | 92.1 | Very high | 92.7 | Very high | 134 Ų | 134 | 68.8 Ų | 68.8 | 59% | 0.588 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.3 | -50.7 | -179.8 | 179.9 | -96.9 | 0 | 0 | 0 | 111.5 | F312 P313 S317 F318 | F312-F315 HydrophobicContact CB-CB 4.33Å; F312-F315 PolarHBondContact O-N 3.25Å; P313-F315 PolarHBondContact O-N 2.8Å; F315-S317 PolarHBondContact O-N 3.33Å; F315-F318 PolarHBondContact O-N 3Å |
| 316 | F | 91.2 | Very high | 92.8 | Very high | 20 Ų | 20 | 69.1 Ų | 69.1 | 9% | 0.088 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.1 | -12 | -175.6 | -78.7 | -87.6 | 0 | 0 | 0 | 114.2 | W197 F295 F299 L308 L309 F312 P313 | W197-F316 HydrophobicContact CZ2-CB 4.3Å; F295-F316 HydrophobicContact CD1-CD1 4.32Å; F295-F316 AromaticContact CE1-CD1 3.39Å; F295-F316 HydrophobicContact CE1-CD1 3.39Å; F295-F316 AromaticContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CG 4.47Å; F295-F316 HydrophobicContact CZ-CD1 4Å; F295-F316 AromaticContact CZ-CE1 3.81Å; F295-F316 HydrophobicContact CZ-CE1 3.81Å; F299-F316 HydrophobicContact CD1-CE1 4.04Å; F299-F316 HydrophobicContact CD2-CE1 4.3Å; F299-F316 AromaticContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CZ 4.25Å; F299-F316 HydrophobicContact CE2-CE1 4.09Å; F299-F316 HydrophobicContact CG-CE1 4.31Å; F299-F316 AromaticContact CZ-CE1 3.84Å; F299-F316 HydrophobicContact CZ-CE1 3.84Å; L308-F316 HydrophobicContact CB-CE2 4.05Å; L308-F316 HydrophobicContact CB-CZ 3.98Å; L309-F316 HydrophobicContact CD2-CB 3.63Å; L309-F316 HydrophobicContact CD2-CD1 3.52Å; L309-F316 HydrophobicContact CD2-CE1 4.42Å; L309-F316 HydrophobicContact CD2-CG 3.72Å; F312-F316 HydrophobicContact CB-CD2 3.86Å; F312-F316 HydrophobicContact CB-CE2 4.07Å; F312-F316 HydrophobicContact CD2-CE2 4.3Å; F312-F316 WeakPolarHBondContact O-CD2 3.36Å; F312-F316 PolarHBondContact O-N 2.94Å; F312-F316 VanDerWaalsContact O-N 3.12Å; P313-F316 PolarHBondContact O-N 2.88Å |
| 317 | S | 90.2 | Very high | 92.9 | Very high | 8 Ų | 8 | 69.2 Ų | 69.2 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 8.2 | 172.6 | 68.3 | 0 | 0 | 0 | 0 | 114 | P313 F315 G319 Y320 F321 | P313-S317 WeakPolarHBondContact O-CB 3.22Å; P313-S317 PolarHBondContact O-N 3.25Å; P313-S317 PolarHBondContact O-OG 2.98Å; F315-S317 PolarHBondContact O-N 3.33Å; S317-G319 PolarHBondContact O-N 2.97Å; S317-Y320 VanDerWaalsContact O-CD2 3.24Å; S317-Y320 WeakPolarHBondContact O-CD2 3.16Å; S317-Y320 PolarHBondContact O-N 3.01Å; S317-Y320 PolarHBondContact OG-N 2.76Å; S317-F321 PolarHBondContact OG-N 3.02Å; S317-F321 PolarHBondContact OG-O 3.03Å |
| 318 | F | 90 | Very high | 92.9 | Very high | 133 Ų | 133 | 67.6 Ų | 67.6 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 37.9 | -178.5 | -53.4 | -86 | 0 | 0 | 0 | 113.2 | A292 W314 F315 | A292-F318 HydrophobicContact CB-CD2 4.05Å; A292-F318 HydrophobicContact CB-CE2 3.79Å; W314-F318 PolarHBondContact O-N 2.83Å; F315-F318 PolarHBondContact O-N 3Å |
| 319 | G | 88.6 | Confident | 93 | Very high | 22 Ų | 22 | 72 Ų | 72 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -6.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | W314 S317 | W314-G319 PolarHBondContact O-N 2.8Å; S317-G319 PolarHBondContact O-N 2.97Å |
| 320 | Y | 90.4 | Very high | 93.1 | Very high | 128 Ų | 128 | 73.4 Ų | 73.4 | 50% | 0.502 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -75.2 | -26 | -177.9 | -73.8 | -73 | 0 | 0 | 0 | 114.3 | L190 S191 I192 S317 | L190-Y320 HydrophobicContact CB-CD1 4.42Å; S191-Y320 CarbonylContact C-O 3.14Å; S191-Y320 WeakPolarHBondContact CA-O 3.37Å; I192-Y320 PolarHBondContact N-O 2.92Å; S317-Y320 VanDerWaalsContact O-CD2 3.24Å; S317-Y320 WeakPolarHBondContact O-CD2 3.16Å; S317-Y320 PolarHBondContact O-N 3.01Å; S317-Y320 PolarHBondContact OG-N 2.76Å |
| 321 | F | 93.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 72.5 Ų | 72.5 | 13% | 0.132 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.6 | 179.3 | -66.4 | -93.9 | 0 | 0 | 0 | 112.5 | I192 T196 W197 P313 W314 S317 | I192-F321 HydrophobicContact CB-CD1 3.65Å; I192-F321 HydrophobicContact CB-CE1 3.65Å; I192-F321 HydrophobicContact CB-CG 4.43Å; I192-F321 HydrophobicContact CB-CZ 4.41Å; I192-F321 HydrophobicContact CD1-CE1 4.02Å; I192-F321 HydrophobicContact CD1-CZ 4Å; I192-F321 HydrophobicContact CG1-CE1 4.42Å; I192-F321 HydrophobicContact CG2-CD1 3.81Å; I192-F321 HydrophobicContact CG2-CE1 3.55Å; I192-F321 CarbonylContact O-C 3.18Å; I192-F321 WeakPolarHBondContact O-CA 3.47Å; T196-F321 HydrophobicContact CG2-CE1 4.02Å; W197-F321 HydrophobicContact CB-CB 4.06Å; W197-F321 HydrophobicContact CB-CD1 3.6Å; W197-F321 HydrophobicContact CB-CE1 4.13Å; W197-F321 HydrophobicContact CB-CG 3.83Å; W197-F321 HydrophobicContact CD2-CB 4.42Å; W197-F321 HydrophobicContact CD2-CD2 4.11Å; W197-F321 HydrophobicContact CD2-CG 4.16Å; W197-F321 HydrophobicContact CE3-CD1 4.38Å; W197-F321 AromaticContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CD2 3.49Å; W197-F321 VanDerWaalsContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CE1 4.41Å; W197-F321 AromaticContact CE3-CE2 3.54Å; W197-F321 HydrophobicContact CE3-CE2 3.54Å; W197-F321 AromaticContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CZ 4.02Å; W197-F321 HydrophobicContact CG-CB 4.22Å; W197-F321 HydrophobicContact CG-CD1 4.4Å; W197-F321 HydrophobicContact CG-CG 4.17Å; W197-F321 AromaticContact CZ3-CD2 3.96Å; W197-F321 HydrophobicContact CZ3-CD2 3.96Å; W197-F321 AromaticContact CZ3-CE2 3.89Å; W197-F321 HydrophobicContact CZ3-CE2 3.89Å; P313-F321 CarbonylContact C-O 3.52Å; P313-F321 VanDerWaalsContact C-O 3.29Å; P313-F321 HydrophobicContact CB-CB 4.36Å; W314-F321 WeakPolarHBondContact CA-O 3.45Å; W314-F321 PolarHBondContact N-O 3.4Å; W314-F321 VanDerWaalsContact N-O 3.08Å; S317-F321 PolarHBondContact OG-N 3.02Å; S317-F321 PolarHBondContact OG-O 3.03Å |
| 322 | S | 93.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 71.6 Ų | 71.6 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157.7 | -178.5 | 85.1 | 0 | 0 | 0 | 0 | 112.4 | I192 H193 D194 Q324 G325 | I192-S322 PolarHBondContact O-N 3.33Å; H193-S322 CarbonylContact C-O 3.51Å; H193-S322 WeakPolarHBondContact CA-O 3.43Å; D194-S322 PolarHBondContact N-O 3.2Å; S322-Q324 VanDerWaalsContact C-N 3.27Å; S322-Q324 PolarHBondContact OG-N 2.82Å; S322-G325 PolarHBondContact O-N 3.25Å; S322-G325 WeakPolarHBondContact OG-CA 3.42Å; S322-G325 PolarHBondContact OG-N 2.98Å; S322-G325 PolarHBondContact OG-O 2.68Å; S322-G325 VanDerWaalsContact OG-O 3.07Å |
| 323 | K | 93.2 | Very high | 93.5 | Very high | 110 Ų | 110 | 69.3 Ų | 69.3 | 48% | 0.478 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -73.9 | -23.3 | 174.8 | -67.1 | -176.8 | 179.5 | 171.8 | 0 | 112.2 | H193 D194 K311 P313 | H193-K323 PolarHBondContact CD2-O 3.49Å; H193-K323 PolarHBondContact NE2-O 3.06Å; D194-K323 HydrophobicContact CB-CG 4.37Å; K311-K323 PolarHBondContact O-NZ 3.29Å; P313-K323 HydrophobicContact CG-CG 4.11Å |
| 324 | Q | 92.8 | Very high | 93.7 | Very high | 151 Ų | 151 | 69.4 Ų | 69.4 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -82.2 | -21.8 | 178.2 | -65 | 78.6 | 8.4 | 0 | 0 | 111.9 | F18 S322 | F18-Q324 WeakPolarHBondContact CE2-O 3.11Å; S322-Q324 VanDerWaalsContact C-N 3.27Å; S322-Q324 PolarHBondContact OG-N 2.82Å |
| 325 | G | 93.6 | Very high | 94 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | trans | 77.2 | -170.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113 | S191 S322 | S191-G325 PolarHBondContact OG-O 2.84Å; S322-G325 PolarHBondContact O-N 3.25Å; S322-G325 WeakPolarHBondContact OG-CA 3.42Å; S322-G325 PolarHBondContact OG-N 2.98Å; S322-G325 PolarHBondContact OG-O 2.68Å; S322-G325 VanDerWaalsContact OG-O 3.07Å | ||
| 326 | P | 95.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | trans | -72.5 | 155.7 | 172.5 | 28.1 | -33.5 | 0 | 0 | 0 | 112.9 | S191 Q330 I331 Y371 | S191-P326 WeakPolarHBondContact O-CB 3.24Å; S191-P326 WeakPolarHBondContact O-CG 3.48Å; P326-Q330 HydrophobicContact CB-CB 4.15Å; P326-I331 HydrophobicContact CB-CG1 3.97Å; P326-I331 HydrophobicContact CG-CD1 3.99Å; P326-I331 HydrophobicContact CG-CG1 3.75Å; P326-Y371 HydrophobicContact CG-CD2 3.54Å; P326-Y371 HydrophobicContact CG-CE2 3.39Å | ||
| 327 | T | 95.3 | Very high | 94.6 | Very high | 78 Ų | 78 | 57 Ų | 57 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | trans | -76.6 | 160 | 167.9 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | K329 Q330 I331 | T327-K329 VanDerWaalsContact C-N 3.28Å; T327-K329 PolarHBondContact O-N 3.37Å; T327-Q330 PolarHBondContact O-N 2.79Å; T327-Q330 VanDerWaalsContact O-N 3.11Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.43Å; T327-Q330 PolarHBondContact OG1-N 2.83Å; T327-Q330 PolarHBondContact OG1-OE1 2.92Å; T327-I331 WeakPolarHBondContact O-CG1 3.21Å; T327-I331 PolarHBondContact O-N 2.96Å | ||
| 328 | Q | 94.6 | Very high | 95 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58 | -40.3 | 176.5 | -168.5 | 62 | 55.2 | 0 | 0 | 112.1 | Q330 I331 D332 | Q328-Q330 VanDerWaalsContact C-N 3.34Å; Q328-Q330 PolarHBondContact O-N 3.04Å; Q328-I331 WeakPolarHBondContact O-CB 3.39Å; Q328-I331 PolarHBondContact O-N 2.84Å; Q328-I331 VanDerWaalsContact O-N 3.14Å; Q328-D332 PolarHBondContact NE2-OD1 2.89Å; Q328-D332 WeakPolarHBondContact O-CB 3.48Å; Q328-D332 PolarHBondContact O-N 2.87Å |
| 329 | K | 95.9 | Very high | 95.4 | Very high | 151 Ų | 151 | 50.7 Ų | 50.7 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 175.8 | -70.2 | -175.1 | 177.3 | -177.8 | 0 | 113.2 | T327 I331 A333 | T327-K329 VanDerWaalsContact C-N 3.28Å; T327-K329 PolarHBondContact O-N 3.37Å; K329-I331 VanDerWaalsContact C-N 3.35Å; K329-A333 VanDerWaalsContact O-CB 3.32Å; K329-A333 WeakPolarHBondContact O-CB 3.18Å; K329-A333 PolarHBondContact O-N 3.5Å; K329-A333 VanDerWaalsContact O-N 3.14Å |
| 330 | Q | 96.6 | Very high | 95.9 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 15% | 0.145 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.8 | -74.1 | 170 | -44.9 | 0 | 0 | 111.2 | E188 P326 T327 Q328 A334 | E188-Q330 HydrophobicContact CB-CG 3.7Å; E188-Q330 PolarHBondContact O-NE2 2.81Å; P326-Q330 HydrophobicContact CB-CB 4.15Å; T327-Q330 PolarHBondContact O-N 2.79Å; T327-Q330 VanDerWaalsContact O-N 3.11Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.43Å; T327-Q330 PolarHBondContact OG1-N 2.83Å; T327-Q330 PolarHBondContact OG1-OE1 2.92Å; Q328-Q330 VanDerWaalsContact C-N 3.34Å; Q328-Q330 PolarHBondContact O-N 3.04Å; Q330-A334 WeakPolarHBondContact O-CB 3.47Å; Q330-A334 PolarHBondContact O-N 3.43Å |
| 331 | I | 96.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -51.7 | 175.4 | -63.9 | 171.4 | 0 | 0 | 0 | 110.3 | F22 P326 T327 Q328 K329 A333 A334 E368 Y371 V372 | F22-I331 HydrophobicContact CE1-CD1 3.99Å; F22-I331 HydrophobicContact CZ-CD1 3.88Å; P326-I331 HydrophobicContact CB-CG1 3.97Å; P326-I331 HydrophobicContact CG-CD1 3.99Å; P326-I331 HydrophobicContact CG-CG1 3.75Å; T327-I331 WeakPolarHBondContact O-CG1 3.21Å; T327-I331 PolarHBondContact O-N 2.96Å; Q328-I331 WeakPolarHBondContact O-CB 3.39Å; Q328-I331 PolarHBondContact O-N 2.84Å; Q328-I331 VanDerWaalsContact O-N 3.14Å; K329-I331 VanDerWaalsContact C-N 3.35Å; I331-A333 VanDerWaalsContact C-N 3.26Å; I331-A333 PolarHBondContact O-N 2.79Å; I331-A334 PolarHBondContact O-N 2.93Å; I331-A334 VanDerWaalsContact O-N 3.16Å; I331-E368 HydrophobicContact CG2-CB 4.08Å; I331-E368 HydrophobicContact CG2-CG 4.36Å; I331-E368 WeakPolarHBondContact O-CB 3.3Å; I331-Y371 HydrophobicContact CD1-CD2 4.45Å; I331-Y371 HydrophobicContact CG1-CD2 4.48Å; I331-V372 HydrophobicContact CG2-CG2 3.48Å; I331-V372 VanDerWaalsContact CG2-CG2 3.48Å |
| 332 | D | 96.2 | Very high | 96.5 | Very high | 114 Ų | 114 | 44.1 Ų | 44.1 | 61% | 0.61 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.6 | -31.3 | -175 | -63.2 | -19.3 | 0 | 0 | 0 | 112.8 | Q328 | Q328-D332 PolarHBondContact NE2-OD1 2.89Å; Q328-D332 WeakPolarHBondContact O-CB 3.48Å; Q328-D332 PolarHBondContact O-N 2.87Å |
| 333 | A | 97.3 | Very high | 96.6 | Very high | 49 Ų | 49 | 47.3 Ų | 47.3 | 41% | 0.405 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | G186 K329 I331 | G186-A333 PolarHBondContact N-O 3.07Å; K329-A333 VanDerWaalsContact O-CB 3.32Å; K329-A333 WeakPolarHBondContact O-CB 3.18Å; K329-A333 PolarHBondContact O-N 3.5Å; K329-A333 VanDerWaalsContact O-N 3.14Å; I331-A333 VanDerWaalsContact C-N 3.26Å; I331-A333 PolarHBondContact O-N 2.79Å |
| 334 | A | 97.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 42 Ų | 42 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | trans | -99.3 | 148.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H184 L190 Q330 I331 E368 | H184-A334 VanDerWaalsContact O-CA 3.3Å; H184-A334 WeakPolarHBondContact O-CA 3.25Å; L190-A334 HydrophobicContact CD2-CB 3.94Å; Q330-A334 WeakPolarHBondContact O-CB 3.47Å; Q330-A334 PolarHBondContact O-N 3.43Å; I331-A334 PolarHBondContact O-N 2.93Å; I331-A334 VanDerWaalsContact O-N 3.16Å; A334-E368 HydrophobicContact CB-CB 3.93Å; A334-E368 HydrophobicContact CB-CG 3.64Å; A334-E368 PolarHBondContact O-N 3.44Å; A334-E368 VanDerWaalsContact O-N 3.12Å | ||
| 335 | S | 98.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 35 Ų | 35 | 32% | 0.315 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 170.1 | 175.2 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | H184 G366 | H184-S335 WeakPolarHBondContact CB-OG 3.28Å; H184-S335 PolarHBondContact N-O 2.79Å; H184-S335 PolarHBondContact O-N 3.16Å; S335-G366 WeakPolarHBondContact CA-O 3.44Å; S335-G366 VanDerWaalsContact CB-O 3.24Å; S335-G366 WeakPolarHBondContact CB-O 3.36Å |
| 336 | F | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.4 | 172.5 | 75.7 | -93.8 | 0 | 0 | 0 | 112.2 | F154 P158 L181 T182 I183 V364 G366 P367 A369 A373 I419 | F154-F336 AromaticContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD2 4.5Å; F154-F336 AromaticContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE2 4.41Å; F154-F336 HydrophobicContact CD2-CG 4.25Å; F154-F336 HydrophobicContact CD2-CZ 4.07Å; F154-F336 HydrophobicContact CE2-CB 4.09Å; F154-F336 AromaticContact CE2-CD1 3.56Å; F154-F336 HydrophobicContact CE2-CD1 3.56Å; F154-F336 AromaticContact CE2-CD2 3.61Å; F154-F336 HydrophobicContact CE2-CD2 3.61Å; F154-F336 AromaticContact CE2-CE1 3.82Å; F154-F336 HydrophobicContact CE2-CE1 3.82Å; F154-F336 AromaticContact CE2-CE2 3.86Å; F154-F336 HydrophobicContact CE2-CE2 3.86Å; F154-F336 AromaticContact CE2-CG 3.46Å; F154-F336 HydrophobicContact CE2-CG 3.46Å; F154-F336 VanDerWaalsContact CE2-CG 3.46Å; F154-F336 AromaticContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CZ-CB 4.43Å; F154-F336 HydrophobicContact CZ-CD2 4.45Å; F154-F336 HydrophobicContact CZ-CG 4.25Å; P158-F336 HydrophobicContact CB-CE2 4.2Å; P158-F336 HydrophobicContact CB-CZ 4.37Å; P158-F336 HydrophobicContact CG-CE2 4.37Å; P158-F336 HydrophobicContact CG-CZ 4.08Å; L181-F336 HydrophobicContact CD1-CB 4.17Å; T182-F336 WeakPolarHBondContact O-CA 3.37Å; I183-F336 HydrophobicContact CD1-CB 3.85Å; F336-V364 HydrophobicContact CE2-CG1 4.07Å; F336-V364 HydrophobicContact CZ-CG1 4.36Å; F336-G366 PolarHBondContact N-O 3.1Å; F336-G366 PolarHBondContact O-N 3.34Å; F336-P367 WeakPolarHBondContact CD1-O 3.2Å; F336-A369 HydrophobicContact CD1-CB 4.35Å; F336-A373 HydrophobicContact CD1-CB 4.45Å; F336-A373 HydrophobicContact CE1-CB 3.7Å; F336-I419 HydrophobicContact CZ-CG2 4.37Å |
| 337 | T | 98.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 126.3 | 166.9 | -58.1 | 0 | 0 | 0 | 0 | 108.6 | T182 H184 Q363 V364 K365 | T182-T337 PolarHBondContact N-O 3.29Å; T182-T337 PolarHBondContact O-N 2.99Å; H184-T337 PolarHBondContact NE2-OG1 2.86Å; T337-Q363 HydrophobicContact CG2-CG 3.59Å; T337-V364 CarbonylContact C-O 3.55Å; T337-V364 WeakPolarHBondContact CA-O 3.39Å; T337-K365 HydrophobicContact CG2-CG 3.97Å |
| 338 | L | 98.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.3 | 174.3 | -171.3 | 60.5 | 0 | 0 | 0 | 108.2 | P158 A159 F180 L181 F340 Q363 V364 | P158-L338 HydrophobicContact CB-CD2 4Å; A159-L338 HydrophobicContact CB-CD2 3.95Å; F180-L338 WeakPolarHBondContact O-CA 3.12Å; L181-L338 HydrophobicContact CB-CD1 3.8Å; L181-L338 HydrophobicContact CD1-CD1 4.47Å; L338-F340 HydrophobicContact CB-CE2 4.09Å; L338-F340 HydrophobicContact CB-CZ 4.42Å; L338-F340 HydrophobicContact CD2-CE1 4.27Å; L338-F340 HydrophobicContact CD2-CE2 3.92Å; L338-F340 HydrophobicContact CD2-CZ 3.4Å; L338-F340 HydrophobicContact CG-CE1 4.38Å; L338-F340 HydrophobicContact CG-CE2 3.62Å; L338-F340 HydrophobicContact CG-CZ 3.54Å; L338-F340 WeakPolarHBondContact O-CD2 3.21Å; L338-F340 WeakPolarHBondContact O-CE2 3.28Å; L338-Q363 WeakPolarHBondContact O-CA 3.28Å; L338-V364 HydrophobicContact CB-CB 4.37Å; L338-V364 PolarHBondContact N-O 3.01Å; L338-V364 PolarHBondContact O-N 3.04Å |
| 339 | T | 98.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.2 | -178.2 | -58 | 0 | 0 | 0 | 0 | 109.9 | S179 F180 L241 F341 Q363 | S179-T339 CarbonylContact C-O 3.26Å; S179-T339 VanDerWaalsContact CA-O 3.26Å; S179-T339 WeakPolarHBondContact CA-O 3.4Å; F180-T339 PolarHBondContact N-O 3.26Å; F180-T339 PolarHBondContact O-N 2.85Å; L241-T339 HydrophobicContact CD2-CG2 4.33Å; T339-F341 HydrophobicContact CG2-CD2 4.47Å; T339-F341 HydrophobicContact CG2-CE1 4.31Å; T339-F341 HydrophobicContact CG2-CE2 3.84Å; T339-F341 HydrophobicContact CG2-CZ 3.75Å; T339-Q363 PolarHBondContact OG1-NE2 3.32Å; T339-Q363 VanDerWaalsContact OG1-NE2 3.1Å |
| 340 | F | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.8 | -178.7 | -58.5 | -100.7 | 0 | 0 | 0 | 110.1 | P158 V163 V177 E178 L338 C361 T362 V364 | P158-F340 WeakPolarHBondContact O-CZ 3.3Å; V163-F340 HydrophobicContact CG2-CD1 4.4Å; V163-F340 HydrophobicContact CG2-CE1 4.24Å; V177-F340 HydrophobicContact CG1-CB 4.04Å; V177-F340 HydrophobicContact CG1-CD1 3.74Å; V177-F340 HydrophobicContact CG1-CG 4.4Å; E178-F340 CarbonylContact O-C 3.58Å; E178-F340 WeakPolarHBondContact O-CA 3.29Å; L338-F340 HydrophobicContact CB-CE2 4.09Å; L338-F340 HydrophobicContact CB-CZ 4.42Å; L338-F340 HydrophobicContact CD2-CE1 4.27Å; L338-F340 HydrophobicContact CD2-CE2 3.92Å; L338-F340 HydrophobicContact CD2-CZ 3.4Å; L338-F340 HydrophobicContact CG-CE1 4.38Å; L338-F340 HydrophobicContact CG-CE2 3.62Å; L338-F340 HydrophobicContact CG-CZ 3.54Å; L338-F340 WeakPolarHBondContact O-CD2 3.21Å; L338-F340 WeakPolarHBondContact O-CE2 3.28Å; F340-C361 VanDerWaalsContact O-CA 3.29Å; F340-C361 WeakPolarHBondContact O-CA 3.43Å; F340-T362 WeakPolarHBondContact CB-OG1 3.46Å; F340-T362 PolarHBondContact N-O 3.12Å; F340-T362 PolarHBondContact O-N 3.46Å; F340-V364 HydrophobicContact CE2-CB 4.28Å; F340-V364 HydrophobicContact CE2-CG2 3.69Å; F340-V364 HydrophobicContact CZ-CG2 4.36Å |
| 341 | F | 98 | Very high | 92.1 | Very high | 40 Ų | 40 | 36.9 Ų | 36.9 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 102.4 | 170.9 | -62 | -76.4 | 0 | 0 | 0 | 108.9 | V177 E178 F180 E240 L241 T339 C361 | V177-F341 WeakPolarHBondContact CA-O 3.39Å; E178-F341 PolarHBondContact N-O 3.05Å; E178-F341 PolarHBondContact O-N 2.95Å; F180-F341 AromaticContact CD2-CD2 3.58Å; F180-F341 HydrophobicContact CD2-CD2 3.58Å; F180-F341 AromaticContact CD2-CE2 3.7Å; F180-F341 HydrophobicContact CD2-CE2 3.7Å; F180-F341 AromaticContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CD2 3.57Å; F180-F341 AromaticContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CG-CE2 4.48Å; E240-F341 HydrophobicContact CB-CE1 3.94Å; E240-F341 HydrophobicContact CB-CE2 4.41Å; E240-F341 HydrophobicContact CB-CZ 3.54Å; E240-F341 HydrophobicContact CG-CE1 4.02Å; E240-F341 HydrophobicContact CG-CZ 4.06Å; L241-F341 HydrophobicContact CD1-CE2 4.37Å; L241-F341 HydrophobicContact CD2-CZ 4.4Å; L241-F341 HydrophobicContact CG-CE2 4.36Å; L241-F341 HydrophobicContact CG-CZ 4.39Å; T339-F341 HydrophobicContact CG2-CD2 4.47Å; T339-F341 HydrophobicContact CG2-CE1 4.31Å; T339-F341 HydrophobicContact CG2-CE2 3.84Å; T339-F341 HydrophobicContact CG2-CZ 3.75Å; F341-C361 HydrophobicContact CD1-CB 4.36Å; F341-C361 HydrophobicContact CE1-CB 4.43Å |
| 342 | G | 97.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 144 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A176 K359 I360 | A176-G342 CarbonylContact O-C 3.29Å; A176-G342 WeakPolarHBondContact O-CA 3.33Å; G342-K359 WeakPolarHBondContact O-CA 3.27Å; G342-I360 PolarHBondContact N-O 3.16Å; G342-I360 PolarHBondContact O-N 3.28Å |
| 343 | Q | 95.9 | Very high | 89 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.7 | 173.3 | -62.5 | 179.5 | 13.3 | 0 | 0 | 109.9 | T175 A176 P356 I358 K359 | T175-Q343 PolarHBondContact N-O 2.87Å; T175-Q343 PolarHBondContact OG1-O 2.83Å; T175-Q343 VanDerWaalsContact OG1-O 3.1Å; A176-Q343 PolarHBondContact N-O 3.26Å; A176-Q343 VanDerWaalsContact N-O 3.09Å; A176-Q343 PolarHBondContact O-N 3.27Å; Q343-P356 HydrophobicContact CB-CB 4.22Å; Q343-I358 WeakPolarHBondContact CA-O 3.48Å; Q343-K359 HydrophobicContact CG-CG 4.44Å |
| 344 | G | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | -164.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T173 P356 N357 I358 | T173-G344 CarbonylContact O-C 3.52Å; T173-G344 WeakPolarHBondContact O-CA 3.38Å; G344-P356 CarbonylContact O-C 3.49Å; G344-P356 WeakPolarHBondContact O-CA 3.33Å; G344-P356 VanDerWaalsContact O-CB 3.28Å; G344-P356 WeakPolarHBondContact O-CB 3.42Å; G344-N357 PolarHBondContact O-N 3.31Å; G344-I358 PolarHBondContact N-O 3Å; G344-I358 PolarHBondContact O-N 2.98Å |
| 345 | Y | 93.9 | Very high | 87.2 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.1 | -175 | -64 | -87.8 | 0 | 0 | 0 | 111 | G172 T173 T175 P227 L349 T351 N354 P356 N357 | G172-Y345 CarbonylContact C-O 3.54Å; G172-Y345 VanDerWaalsContact CA-O 3.24Å; G172-Y345 WeakPolarHBondContact CA-O 2.98Å; T173-Y345 PolarHBondContact N-O 3.14Å; T173-Y345 PolarHBondContact O-N 3.31Å; T175-Y345 HydrophobicContact CG2-CD2 3.72Å; T175-Y345 HydrophobicContact CG2-CE2 3.74Å; P227-Y345 VanDerWaalsContact CD-OH 3.25Å; P227-Y345 WeakPolarHBondContact CD-OH 3.25Å; Y345-L349 HydrophobicContact CD1-CD2 3.76Å; Y345-L349 HydrophobicContact CE1-CD2 4.44Å; Y345-T351 HydrophobicContact CD2-CG2 3.79Å; Y345-T351 HydrophobicContact CE2-CG2 4.05Å; Y345-T351 HydrophobicContact CG-CG2 4.32Å; Y345-N354 HydrophobicContact CE1-CB 4.08Å; Y345-N354 WeakPolarHBondContact CE1-O 3.38Å; Y345-N354 PolarHBondContact OH-O 3.15Å; Y345-P356 HydrophobicContact CE2-CG 4.2Å; Y345-N357 VanDerWaalsContact CA-OD1 3.3Å; Y345-N357 WeakPolarHBondContact CA-OD1 3.41Å |
| 346 | S | 91.3 | Very high | 86.8 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 155.4 | 169.1 | 59.4 | 0 | 0 | 0 | 0 | 111.8 | G348 L349 N357 I358 | S346-G348 PolarHBondContact O-N 3.11Å; S346-L349 WeakPolarHBondContact O-CB 3.19Å; S346-L349 PolarHBondContact O-N 3.29Å; S346-N357 PolarHBondContact N-OD1 3.03Å; S346-N357 PolarHBondContact OG-ND2 3.39Å; S346-I358 VanDerWaalsContact CA-CD1 3.43Å |
| 347 | Q | 85.7 | Confident | 86.5 | Confident | 154 Ų | 154 | 58.2 Ų | 58.2 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 133.2 | -178.8 | -166.3 | 176.7 | 10.6 | 0 | 0 | 111.1 | L349 | Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.31Å |
| 348 | G | 76.7 | Confident | 86.3 | Confident | 86 Ų | 86 | 57.9 Ų | 57.9 | 89% | 0.887 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -5.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S346 | S346-G348 PolarHBondContact O-N 3.11Š|
| 349 | L | 75.8 | Confident | 86.1 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | trans | -85.4 | 127.3 | 174.8 | -147.1 | 103.1 | 0 | 0 | 0 | 110.8 | Y345 S346 Q347 N354 | Y345-L349 HydrophobicContact CD1-CD2 3.76Å; Y345-L349 HydrophobicContact CE1-CD2 4.44Å; S346-L349 WeakPolarHBondContact O-CB 3.19Å; S346-L349 PolarHBondContact O-N 3.29Å; Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.31Å; L349-N354 HydrophobicContact CD2-CB 3.57Å; L349-N354 VanDerWaalsContact CD2-ND2 3.28Å; L349-N354 WeakPolarHBondContact CD2-ND2 3.38Å | ||
| 350 | G | 71.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | trans | -65.6 | 139.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 351 | T | 73.1 | Confident | 86.1 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 22% | 0.221 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.3 | -175.2 | 48.6 | 0 | 0 | 0 | 0 | 114.2 | I225 Y345 | I225-T351 HydrophobicContact CG2-CG2 3.65Å; Y345-T351 HydrophobicContact CD2-CG2 3.79Å; Y345-T351 HydrophobicContact CE2-CG2 4.05Å; Y345-T351 HydrophobicContact CG-CG2 4.32Å |
| 352 | D | 65.6 | Low | 86.1 | Confident | 149 Ų | 149 | 61.3 Ų | 61.3 | 80% | 0.797 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -18.3 | -164.8 | -67.9 | -30.9 | 0 | 0 | 0 | 115.6 | ||
| 353 | K | 62.5 | Low | 86.2 | Confident | 196 Ų | 196 | 62.3 Ų | 62.3 | 85% | 0.852 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.8 | -15.4 | -174.2 | -63.7 | -171.9 | -178.7 | 178.4 | 0 | 115.7 | ||
| 354 | N | 71.5 | Confident | 86.3 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -96.4 | 150.4 | -175 | -66.3 | -26.3 | 0 | 0 | 0 | 111 | Y345 L349 | Y345-N354 HydrophobicContact CE1-CB 4.08Å; Y345-N354 WeakPolarHBondContact CE1-O 3.38Å; Y345-N354 PolarHBondContact OH-O 3.15Å; L349-N354 HydrophobicContact CD2-CB 3.57Å; L349-N354 VanDerWaalsContact CD2-ND2 3.28Å; L349-N354 WeakPolarHBondContact CD2-ND2 3.38Å |
| 355 | K | 85.9 | Confident | 86.5 | Confident | 185 Ų | 185 | 63 Ų | 63 | 80% | 0.804 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 145.8 | 166.4 | -70.8 | 179.5 | -179.6 | 172.3 | 0 | 108.6 | N357 | K355-N357 PolarHBondContact O-N 3.14Š|
| 356 | P | 90.6 | Very high | 86.7 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -52 | 125.3 | 170.4 | -26.5 | 34.8 | 0 | 0 | 0 | 110.3 | P227 Q343 G344 Y345 | P227-P356 HydrophobicContact CG-CG 3.79Å; Q343-P356 HydrophobicContact CB-CB 4.22Å; G344-P356 CarbonylContact O-C 3.49Å; G344-P356 WeakPolarHBondContact O-CA 3.33Å; G344-P356 VanDerWaalsContact O-CB 3.28Å; G344-P356 WeakPolarHBondContact O-CB 3.42Å; Y345-P356 HydrophobicContact CE2-CG 4.2Å |
| 357 | N | 91.6 | Very high | 87 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | trans | -110.1 | 5.7 | -177.2 | 69.4 | -35.8 | 0 | 0 | 0 | 112.4 | G344 Y345 S346 K355 E428 V429 | G344-N357 PolarHBondContact O-N 3.31Å; Y345-N357 VanDerWaalsContact CA-OD1 3.3Å; Y345-N357 WeakPolarHBondContact CA-OD1 3.41Å; S346-N357 PolarHBondContact N-OD1 3.03Å; S346-N357 PolarHBondContact OG-ND2 3.39Å; K355-N357 PolarHBondContact O-N 3.14Å; N357-E428 CarbonylContact O-C 3.58Å; N357-E428 WeakPolarHBondContact O-CA 3.4Å; N357-V429 PolarHBondContact O-N 3.42Å | ||
| 358 | I | 94.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.3 | 170.6 | -59 | -171.1 | 0 | 0 | 0 | 109.5 | M170 N171 Q343 G344 S346 E428 | M170-I358 HydrophobicContact CE-CB 4.33Å; M170-I358 HydrophobicContact CE-CG2 3.8Å; M170-I358 HydrophobicContact CG-CG2 4.16Å; M170-I358 HydrophobicContact SD-CB 4.46Å; M170-I358 HydrophobicContact SD-CG2 4.23Å; N171-I358 WeakPolarHBondContact O-CD1 3.26Å; Q343-I358 WeakPolarHBondContact CA-O 3.48Å; G344-I358 PolarHBondContact N-O 3Å; G344-I358 PolarHBondContact O-N 2.98Å; S346-I358 VanDerWaalsContact CA-CD1 3.43Å; I358-E428 HydrophobicContact CG1-CG 4.29Å |
| 359 | K | 95.9 | Very high | 88.6 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 46% | 0.457 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.7 | 164.2 | -67.2 | -178.6 | -170.8 | 166.7 | 0 | 109.6 | G342 Q343 S426 S427 V429 | G342-K359 WeakPolarHBondContact O-CA 3.27Å; Q343-K359 HydrophobicContact CG-CG 4.44Å; K359-S426 WeakPolarHBondContact O-CA 3.46Å; K359-S427 PolarHBondContact N-O 3.38Å; K359-S427 PolarHBondContact O-N 3.12Å; K359-V429 HydrophobicContact CB-CG2 4.16Å; K359-V429 HydrophobicContact CD-CG2 3.79Å; K359-V429 HydrophobicContact CG-CG2 3.77Å |
| 360 | I | 97.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 139.7 | 172.6 | -168 | 173.3 | 0 | 0 | 0 | 109.1 | T166 K169 M170 L174 G342 T362 V423 S425 | T166-I360 HydrophobicContact CG2-CG2 3.51Å; K169-I360 HydrophobicContact CB-CD1 3.87Å; M170-I360 HydrophobicContact CB-CD1 4.4Å; M170-I360 HydrophobicContact CE-CB 4.04Å; M170-I360 HydrophobicContact CE-CG2 3.43Å; M170-I360 VanDerWaalsContact CE-CG2 3.43Å; L174-I360 HydrophobicContact CD1-CG2 4.49Å; G342-I360 PolarHBondContact N-O 3.16Å; G342-I360 PolarHBondContact O-N 3.28Å; I360-T362 HydrophobicContact CD1-CG2 3.9Å; I360-T362 HydrophobicContact CG1-CG2 3.97Å; I360-V423 HydrophobicContact CG1-CG1 4.43Å; I360-S425 CarbonylContact C-O 3.52Å; I360-S425 WeakPolarHBondContact CA-O 3.2Å; I360-S425 WeakPolarHBondContact CG1-O 3.38Å |
| 361 | C | 98.4 | Very high | 90.7 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.2 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 108 | F340 F341 I424 S425 | F340-C361 VanDerWaalsContact O-CA 3.29Å; F340-C361 WeakPolarHBondContact O-CA 3.43Å; F341-C361 HydrophobicContact CD1-CB 4.36Å; F341-C361 HydrophobicContact CE1-CB 4.43Å; C361-I424 HydrophobicContact CB-CB 4.18Å; C361-I424 PolarHBondContact O-N 3.5Å; C361-S425 VanDerWaalsContact CB-OG 3.3Å; C361-S425 WeakPolarHBondContact CB-OG 3.39Å; C361-S425 PolarHBondContact N-O 3.38Å; C361-S425 PolarHBondContact O-N 3.09Å; C361-S425 VanDerWaalsContact O-N 3.16Å |
| 362 | T | 98.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 165.5 | 171.2 | 68.6 | 0 | 0 | 0 | 0 | 109.5 | Y165 T166 F340 I360 S422 V423 | Y165-T362 HydrophobicContact CD1-CG2 4.13Å; Y165-T362 HydrophobicContact CE1-CG2 4.15Å; T166-T362 HydrophobicContact CG2-CG2 4.14Å; T166-T362 PolarHBondContact OG1-OG1 3.36Å; F340-T362 WeakPolarHBondContact CB-OG1 3.46Å; F340-T362 PolarHBondContact N-O 3.12Å; F340-T362 PolarHBondContact O-N 3.46Å; I360-T362 HydrophobicContact CD1-CG2 3.9Å; I360-T362 HydrophobicContact CG1-CG2 3.97Å; T362-S422 CarbonylContact C-O 3.3Å; T362-S422 VanDerWaalsContact CA-O 3.22Å; T362-S422 WeakPolarHBondContact CA-O 3.25Å; T362-S422 WeakPolarHBondContact CB-O 3.29Å; T362-V423 HydrophobicContact CG2-CG2 4.3Å |
| 363 | Q | 98.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139 | -176.3 | -173.4 | 168.4 | 83.2 | 0 | 0 | 111 | T337 L338 T339 K365 F421 S422 I424 | T337-Q363 HydrophobicContact CG2-CG 3.59Å; L338-Q363 WeakPolarHBondContact O-CA 3.28Å; T339-Q363 PolarHBondContact OG1-NE2 3.32Å; T339-Q363 VanDerWaalsContact OG1-NE2 3.1Å; Q363-K365 HydrophobicContact CG-CD 4.48Å; Q363-K365 HydrophobicContact CG-CG 4.13Å; Q363-F421 WeakPolarHBondContact O-CA 3.26Å; Q363-S422 PolarHBondContact N-O 3Å; Q363-S422 PolarHBondContact O-N 3.42Å; Q363-S422 PolarHBondContact O-OG 3.07Å; Q363-I424 HydrophobicContact CB-CD1 3.9Å; Q363-I424 HydrophobicContact CB-CG1 3.7Å |
| 364 | V | 98.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.2 | 166.7 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | P158 F336 T337 L338 F340 I419 E420 F421 | P158-V364 HydrophobicContact CB-CG1 4.06Å; F336-V364 HydrophobicContact CE2-CG1 4.07Å; F336-V364 HydrophobicContact CZ-CG1 4.36Å; T337-V364 CarbonylContact C-O 3.55Å; T337-V364 WeakPolarHBondContact CA-O 3.39Å; L338-V364 HydrophobicContact CB-CB 4.37Å; L338-V364 PolarHBondContact N-O 3.01Å; L338-V364 PolarHBondContact O-N 3.04Å; F340-V364 HydrophobicContact CE2-CB 4.28Å; F340-V364 HydrophobicContact CE2-CG2 3.69Å; F340-V364 HydrophobicContact CZ-CG2 4.36Å; V364-I419 HydrophobicContact CG1-CG2 3.83Å; V364-E420 CarbonylContact C-O 3.54Å; V364-E420 WeakPolarHBondContact CA-O 2.93Å; V364-F421 HydrophobicContact CG1-CD2 4.4Å; V364-F421 HydrophobicContact CG1-CE1 4.29Å; V364-F421 HydrophobicContact CG1-CE2 4.13Å; V364-F421 HydrophobicContact CG1-CZ 4.06Å; V364-F421 HydrophobicContact CG2-CD1 3.36Å; V364-F421 HydrophobicContact CG2-CE1 3.38Å; V364-F421 HydrophobicContact CG2-CG 3.95Å; V364-F421 HydrophobicContact CG2-CZ 4.01Å |
| 365 | K | 98.6 | Very high | 96.5 | Very high | 89 Ų | 89 | 31.3 Ų | 31.3 | 39% | 0.387 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150.8 | 175.5 | -83.2 | 167.7 | 163.7 | 155.7 | 0 | 109.6 | T337 Q363 I419 E420 | T337-K365 HydrophobicContact CG2-CG 3.97Å; Q363-K365 HydrophobicContact CG-CD 4.48Å; Q363-K365 HydrophobicContact CG-CG 4.13Å; K365-I419 CarbonylContact O-C 3.48Å; K365-I419 WeakPolarHBondContact O-CA 3.41Å; K365-E420 PolarHBondContact N-O 3.23Å; K365-E420 PolarHBondContact O-N 3.25Å |
| 366 | G | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 23 Ų | 23 | 11% | 0.113 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S335 F336 G418 | S335-G366 WeakPolarHBondContact CA-O 3.44Å; S335-G366 VanDerWaalsContact CB-O 3.24Å; S335-G366 WeakPolarHBondContact CB-O 3.36Å; F336-G366 PolarHBondContact N-O 3.1Å; F336-G366 PolarHBondContact O-N 3.34Å; G366-G418 WeakPolarHBondContact CA-O 3.46Å |
| 367 | P | 98.3 | Very high | 97.5 | Very high | 39 Ų | 39 | 21.7 Ų | 21.7 | 25% | 0.253 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -168.3 | 177.2 | 33 | -38 | 0 | 0 | 0 | 110.5 | F336 A369 V372 A373 I376 G418 | F336-P367 WeakPolarHBondContact CD1-O 3.2Å; P367-A369 PolarHBondContact O-N 3.27Å; P367-V372 HydrophobicContact CB-CB 4Å; P367-V372 HydrophobicContact CB-CG1 3.69Å; P367-V372 HydrophobicContact CG-CB 3.9Å; P367-V372 HydrophobicContact CG-CG1 3.43Å; P367-V372 VanDerWaalsContact CG-CG1 3.43Å; P367-A373 HydrophobicContact CG-CB 4.3Å; P367-I376 HydrophobicContact CG-CD1 4.26Å; P367-G418 VanDerWaalsContact CD-O 3.25Å; P367-G418 WeakPolarHBondContact CD-O 3.4Å |
| 368 | E | 97.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 20.2 Ų | 20.2 | 9% | 0.093 | 11% | 0.111 | C | C | . | . | trans | -50.1 | 133.4 | 177.6 | -168.6 | -75.2 | 140.6 | 0 | 0 | 112.4 | I331 A334 G370 Y371 V372 A373 | I331-E368 HydrophobicContact CG2-CB 4.08Å; I331-E368 HydrophobicContact CG2-CG 4.36Å; I331-E368 WeakPolarHBondContact O-CB 3.3Å; A334-E368 HydrophobicContact CB-CB 3.93Å; A334-E368 HydrophobicContact CB-CG 3.64Å; A334-E368 PolarHBondContact O-N 3.44Å; A334-E368 VanDerWaalsContact O-N 3.12Å; E368-G370 PolarHBondContact OE1-N 3.47Å; E368-G370 PolarHBondContact OE2-N 3.02Å; E368-G370 VanDerWaalsContact OE2-N 3.09Å; E368-Y371 WeakPolarHBondContact OE2-CA 3.46Å; E368-Y371 WeakPolarHBondContact OE2-CD2 3.43Å; E368-Y371 PolarHBondContact OE2-N 3.17Å; E368-V372 HydrophobicContact CB-CG2 4.21Å; E368-V372 PolarHBondContact O-N 3.42Å; E368-A373 WeakPolarHBondContact O-CB 3.49Å; E368-A373 PolarHBondContact O-N 3.16Å | ||
| 369 | A | 97.1 | Very high | 98.1 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 12% | 0.116 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -66.6 | -44.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F154 F336 P367 T374 | F154-A369 HydrophobicContact CB-CB 4.35Å; F154-A369 WeakPolarHBondContact CB-O 3.48Å; F154-A369 HydrophobicContact CD1-CB 3.71Å; F154-A369 HydrophobicContact CD2-CB 3.7Å; F154-A369 HydrophobicContact CE1-CB 3.85Å; F154-A369 HydrophobicContact CE2-CB 3.87Å; F154-A369 HydrophobicContact CG-CB 3.62Å; F154-A369 HydrophobicContact CZ-CB 3.93Å; F336-A369 HydrophobicContact CD1-CB 4.35Å; P367-A369 PolarHBondContact O-N 3.27Å; A369-T374 WeakPolarHBondContact O-CB 3.33Å; A369-T374 PolarHBondContact O-N 3.39Å; A369-T374 VanDerWaalsContact O-N 3.13Å; A369-T374 PolarHBondContact O-OG1 2.97Å |
| 370 | G | 95.3 | Very high | 98.2 | Very high | 20 Ų | 20 | 14.9 Ų | 14.9 | 21% | 0.206 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -85.7 | -32.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E368 T374 | E368-G370 PolarHBondContact OE1-N 3.47Å; E368-G370 PolarHBondContact OE2-N 3.02Å; E368-G370 VanDerWaalsContact OE2-N 3.09Å; G370-T374 VanDerWaalsContact O-CB 3.32Å; G370-T374 WeakPolarHBondContact O-CB 3.32Å |
| 371 | Y | 97.1 | Very high | 98.2 | Very high | 7 Ų | 7 | 14.7 Ų | 14.7 | 3% | 0.027 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -131.5 | -2.9 | -165.6 | -47.1 | -65.6 | 0 | 0 | 0 | 113.5 | F18 F22 I192 H193 P326 I331 E368 P375 | F18-Y371 AromaticContact CD1-CD1 3.77Å; F18-Y371 HydrophobicContact CD1-CD1 3.77Å; F18-Y371 AromaticContact CD1-CE1 3.33Å; F18-Y371 HydrophobicContact CD1-CE1 3.33Å; F18-Y371 AromaticContact CD1-CZ 3.97Å; F18-Y371 AromaticContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD2 4.34Å; F18-Y371 AromaticContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE2 4.13Å; F18-Y371 HydrophobicContact CE1-CG 4.07Å; F18-Y371 AromaticContact CE1-CZ 3.59Å; F22-Y371 WeakPolarHBondContact CD1-O 3.49Å; F22-Y371 AromaticContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CG 4.32Å; F22-Y371 AromaticContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CG 4.09Å; F22-Y371 WeakPolarHBondContact CG-O 3.35Å; F22-Y371 HydrophobicContact CZ-CG 4.32Å; I192-Y371 WeakPolarHBondContact CG2-OH 3.2Å; H193-Y371 HydrophobicContact CB-CE1 4.41Å; H193-Y371 WeakPolarHBondContact CB-OH 3.3Å; H193-Y371 PolarHBondContact N-OH 2.89Å; P326-Y371 HydrophobicContact CG-CD2 3.54Å; P326-Y371 HydrophobicContact CG-CE2 3.39Å; I331-Y371 HydrophobicContact CD1-CD2 4.45Å; I331-Y371 HydrophobicContact CG1-CD2 4.48Å; E368-Y371 WeakPolarHBondContact OE2-CA 3.46Å; E368-Y371 WeakPolarHBondContact OE2-CD2 3.43Å; E368-Y371 PolarHBondContact OE2-N 3.17Å; Y371-P375 WeakPolarHBondContact O-CG 3.45Å |
| 372 | V | 98.1 | Very high | 98.2 | Very high | 47 Ų | 47 | 14.1 Ų | 14.1 | 29% | 0.285 | 8% | 0.083 | S | C | . | . | I | π-helix | trans | -117.3 | -61.6 | 167.1 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | I331 P367 E368 T374 P375 I376 | I331-V372 HydrophobicContact CG2-CG2 3.48Å; I331-V372 VanDerWaalsContact CG2-CG2 3.48Å; P367-V372 HydrophobicContact CB-CB 4Å; P367-V372 HydrophobicContact CB-CG1 3.69Å; P367-V372 HydrophobicContact CG-CB 3.9Å; P367-V372 HydrophobicContact CG-CG1 3.43Å; P367-V372 VanDerWaalsContact CG-CG1 3.43Å; E368-V372 HydrophobicContact CB-CG2 4.21Å; E368-V372 PolarHBondContact O-N 3.42Å; V372-T374 PolarHBondContact O-N 3.04Å; V372-P375 WeakPolarHBondContact O-CD 3.31Å; V372-I376 HydrophobicContact CG1-CD1 3.8Å; V372-I376 WeakPolarHBondContact O-CD1 3.25Å; V372-I376 VanDerWaalsContact O-CG1 3.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.48Å; V372-I376 PolarHBondContact O-N 2.94Å; V372-I376 VanDerWaalsContact O-N 3.12Å |
| 373 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -66.2 | -36.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | F336 P367 E368 I376 A377 I419 | F336-A373 HydrophobicContact CD1-CB 4.45Å; F336-A373 HydrophobicContact CE1-CB 3.7Å; P367-A373 HydrophobicContact CG-CB 4.3Å; E368-A373 WeakPolarHBondContact O-CB 3.49Å; E368-A373 PolarHBondContact O-N 3.16Å; A373-I376 PolarHBondContact O-N 3.35Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 3.46Å; A373-I419 HydrophobicContact CB-CD1 3.97Å; A373-I419 HydrophobicContact CB-CG1 4.36Å; A373-I419 WeakPolarHBondContact O-CD1 3.48Å |
| 374 | T | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 13 Ų | 13 | 7% | 0.074 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -64.7 | -51 | 177.4 | -71.1 | 0 | 0 | 0 | 0 | 112.7 | T19 I123 F154 A369 G370 V372 I376 A377 M378 | T19-T374 HydrophobicContact CG2-CG2 4.32Å; I123-T374 HydrophobicContact CB-CG2 4.11Å; I123-T374 HydrophobicContact CD1-CG2 3.84Å; I123-T374 HydrophobicContact CG2-CG2 3.84Å; F154-T374 WeakPolarHBondContact CB-OG1 3.07Å; F154-T374 PolarHBondContact N-OG1 2.97Å; A369-T374 WeakPolarHBondContact O-CB 3.33Å; A369-T374 PolarHBondContact O-N 3.39Å; A369-T374 VanDerWaalsContact O-N 3.13Å; A369-T374 PolarHBondContact O-OG1 2.97Å; G370-T374 VanDerWaalsContact O-CB 3.32Å; G370-T374 WeakPolarHBondContact O-CB 3.32Å; V372-T374 PolarHBondContact O-N 3.04Å; T374-I376 PolarHBondContact O-N 2.95Å; T374-A377 PolarHBondContact O-N 2.85Å; T374-M378 WeakPolarHBondContact O-CB 3.2Å; T374-M378 PolarHBondContact O-N 3.24Å |
| 375 | P | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.013 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -53.7 | -48.3 | 170.4 | -29.5 | 34.8 | 0 | 0 | 0 | 113.8 | F22 V23 E26 Y371 V372 A377 M378 V379 | F22-P375 HydrophobicContact CB-CB 4.4Å; F22-P375 HydrophobicContact CB-CG 3.52Å; V23-P375 HydrophobicContact CG2-CB 4.23Å; V23-P375 HydrophobicContact CG2-CG 4.27Å; E26-P375 HydrophobicContact CB-CB 3.82Å; E26-P375 HydrophobicContact CG-CB 4.21Å; Y371-P375 WeakPolarHBondContact O-CG 3.45Å; V372-P375 WeakPolarHBondContact O-CD 3.31Å; P375-A377 PolarHBondContact O-N 3.03Å; P375-M378 PolarHBondContact O-N 3.33Å; P375-V379 WeakPolarHBondContact O-CB 3.31Å; P375-V379 WeakPolarHBondContact O-CG2 3.41Å; P375-V379 PolarHBondContact O-N 3.03Å |
| 376 | I | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 11.3 Ų | 11.3 | 6% | 0.056 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56 | -53.2 | 177.4 | -69.5 | 161.3 | 0 | 0 | 0 | 109.6 | E26 P367 V372 A373 T374 M378 V379 Q380 L414 H417 I419 | E26-I376 HydrophobicContact CG-CG1 4.36Å; P367-I376 HydrophobicContact CG-CD1 4.26Å; V372-I376 HydrophobicContact CG1-CD1 3.8Å; V372-I376 WeakPolarHBondContact O-CD1 3.25Å; V372-I376 VanDerWaalsContact O-CG1 3.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.48Å; V372-I376 PolarHBondContact O-N 2.94Å; V372-I376 VanDerWaalsContact O-N 3.12Å; A373-I376 PolarHBondContact O-N 3.35Å; T374-I376 PolarHBondContact O-N 2.95Å; I376-M378 VanDerWaalsContact C-N 3.32Å; I376-M378 PolarHBondContact O-N 2.82Å; I376-V379 PolarHBondContact O-N 2.82Å; I376-Q380 HydrophobicContact CG2-CG 4.09Å; I376-Q380 VanDerWaalsContact O-CB 3.31Å; I376-Q380 WeakPolarHBondContact O-CB 3.37Å; I376-Q380 WeakPolarHBondContact O-CG 3.36Å; I376-Q380 PolarHBondContact O-N 2.82Å; I376-L414 HydrophobicContact CG2-CD2 4.4Å; I376-H417 WeakPolarHBondContact CD1-O 3.25Å; I376-H417 HydrophobicContact CG2-CB 3.56Å; I376-I419 HydrophobicContact CB-CD1 4.08Å; I376-I419 HydrophobicContact CG2-CD1 3.74Å; I376-I419 HydrophobicContact CG2-CG1 4.25Å |
| 377 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | S152 I157 A373 T374 P375 A381 L414 I419 | S152-A377 CarbonylContact O-C 3.6Å; I157-A377 HydrophobicContact CB-CB 4.23Å; I157-A377 HydrophobicContact CD1-CB 3.84Å; I157-A377 HydrophobicContact CG2-CB 4.17Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 3.46Å; T374-A377 PolarHBondContact O-N 2.85Å; P375-A377 PolarHBondContact O-N 3.03Å; A377-A381 VanDerWaalsContact O-CB 3.25Å; A377-A381 WeakPolarHBondContact O-CB 3.22Å; A377-A381 PolarHBondContact O-N 2.88Å; A377-L414 HydrophobicContact CB-CD2 4.33Å; A377-I419 HydrophobicContact CB-CD1 4.26Å |
| 378 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.8 | -46.7 | -179.8 | -169.4 | -173.4 | -163.7 | 0 | 0 | 112.3 | V23 L96 I121 I123 S152 T374 P375 I376 A381 A382 | V23-M378 HydrophobicContact CG1-SD 3.97Å; V23-M378 HydrophobicContact CG2-SD 3.95Å; L96-M378 HydrophobicContact CB-CE 3.55Å; L96-M378 HydrophobicContact CB-SD 4.19Å; L96-M378 HydrophobicContact CD2-CE 4.28Å; L96-M378 HydrophobicContact CG-CE 4.43Å; I121-M378 HydrophobicContact CG2-CE 4.29Å; I121-M378 HydrophobicContact CG2-CG 4.03Å; I121-M378 WeakPolarHBondContact O-CE 3.49Å; I123-M378 HydrophobicContact CG2-CB 3.89Å; I123-M378 HydrophobicContact CG2-CE 4.19Å; I123-M378 HydrophobicContact CG2-CG 3.84Å; I123-M378 HydrophobicContact CG2-SD 3.59Å; I123-M378 VanDerWaalsContact CG2-SD 3.59Å; S152-M378 WeakPolarHBondContact O-CA 3.43Å; S152-M378 WeakPolarHBondContact O-CB 3.07Å; S152-M378 PolarHBondContact O-N 3.24Å; S152-M378 VanDerWaalsContact O-N 3.1Å; T374-M378 WeakPolarHBondContact O-CB 3.2Å; T374-M378 PolarHBondContact O-N 3.24Å; P375-M378 PolarHBondContact O-N 3.33Å; I376-M378 VanDerWaalsContact C-N 3.32Å; I376-M378 PolarHBondContact O-N 2.82Å; M378-A381 PolarHBondContact O-N 3.08Å; M378-A382 PolarHBondContact O-N 2.93Å |
| 379 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.7 | -45.8 | 180 | 174 | 0 | 0 | 0 | 0 | 109.8 | V23 E26 V27 E30 P375 I376 A381 A382 M383 | V23-V379 HydrophobicContact CG1-CG2 4.34Å; E26-V379 HydrophobicContact CB-CG2 3.96Å; E26-V379 HydrophobicContact CG-CB 3.97Å; E26-V379 HydrophobicContact CG-CG1 4.38Å; E26-V379 HydrophobicContact CG-CG2 3.79Å; V27-V379 HydrophobicContact CG2-CG1 4.37Å; V27-V379 HydrophobicContact CG2-CG2 3.58Å; E30-V379 HydrophobicContact CB-CG1 4.04Å; E30-V379 HydrophobicContact CG-CG1 4.17Å; P375-V379 WeakPolarHBondContact O-CB 3.31Å; P375-V379 WeakPolarHBondContact O-CG2 3.41Å; P375-V379 PolarHBondContact O-N 3.03Å; I376-V379 PolarHBondContact O-N 2.82Å; V379-A381 VanDerWaalsContact C-N 3.31Å; V379-A381 PolarHBondContact O-N 3.28Å; V379-A382 WeakPolarHBondContact O-CB 3.17Å; V379-A382 PolarHBondContact O-N 3.47Å; V379-M383 HydrophobicContact CG1-CG 4.28Å; V379-M383 VanDerWaalsContact O-CG 3.28Å; V379-M383 WeakPolarHBondContact O-CG 3.45Å; V379-M383 PolarHBondContact O-N 2.78Å |
| 380 | Q | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.8 | -34 | 178.5 | -62.9 | -48.4 | -43.1 | 0 | 0 | 112.6 | E30 I376 M383 T384 L410 R413 L414 H417 | E30-Q380 PolarHBondContact OE2-NE2 2.59Å; I376-Q380 HydrophobicContact CG2-CG 4.09Å; I376-Q380 VanDerWaalsContact O-CB 3.31Å; I376-Q380 WeakPolarHBondContact O-CB 3.37Å; I376-Q380 WeakPolarHBondContact O-CG 3.36Å; I376-Q380 PolarHBondContact O-N 2.82Å; Q380-M383 PolarHBondContact O-N 2.85Å; Q380-T384 WeakPolarHBondContact O-CB 3.49Å; Q380-T384 PolarHBondContact O-N 3.01Å; Q380-T384 PolarHBondContact O-OG1 2.87Å; Q380-L410 HydrophobicContact CB-CD1 3.9Å; Q380-R413 HydrophobicContact CB-CB 4.43Å; Q380-L414 HydrophobicContact CB-CD2 4.1Å; Q380-L414 HydrophobicContact CG-CD2 4.45Å; Q380-H417 HydrophobicContact CG-CB 4.45Å; Q380-H417 PolarHBondContact NE2-CD2 3.47Å; Q380-H417 PolarHBondContact NE2-NE2 3.45Å |
| 381 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 I157 A377 M378 V379 T384 L385 F405 L410 | I121-A381 HydrophobicContact CD1-CB 4.35Å; I157-A381 HydrophobicContact CD1-CB 4.14Å; A377-A381 VanDerWaalsContact O-CB 3.25Å; A377-A381 WeakPolarHBondContact O-CB 3.22Å; A377-A381 PolarHBondContact O-N 2.88Å; M378-A381 PolarHBondContact O-N 3.08Å; V379-A381 VanDerWaalsContact C-N 3.31Å; V379-A381 PolarHBondContact O-N 3.28Å; A381-T384 PolarHBondContact O-N 3.21Å; A381-L385 PolarHBondContact O-N 3.28Å; A381-F405 HydrophobicContact CB-CE2 3.75Å; A381-F405 HydrophobicContact CB-CZ 3.99Å; A381-F405 WeakPolarHBondContact O-CZ 3.35Å; A381-L410 HydrophobicContact CB-CD2 4.35Å |
| 382 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L10 L96 I121 M378 V379 T384 L385 L386 | L10-A382 HydrophobicContact CD2-CB 3.88Å; L96-A382 HydrophobicContact CD1-CB 4.45Å; L96-A382 HydrophobicContact CD2-CB 3.59Å; I121-A382 VanDerWaalsContact CD1-CA 3.5Å; I121-A382 HydrophobicContact CD1-CB 3.89Å; M378-A382 PolarHBondContact O-N 2.93Å; V379-A382 WeakPolarHBondContact O-CB 3.17Å; V379-A382 PolarHBondContact O-N 3.47Å; A382-T384 VanDerWaalsContact C-N 3.32Å; A382-T384 PolarHBondContact O-N 3.4Å; A382-L385 WeakPolarHBondContact O-CB 3.24Å; A382-L385 PolarHBondContact O-N 3.49Å; A382-L386 WeakPolarHBondContact O-CG 3.41Å; A382-L386 PolarHBondContact O-N 3.23Å |
| 383 | M | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 176 | -62.4 | -53.1 | -75.3 | 0 | 0 | 111.6 | L10 E30 L40 V379 Q380 L386 N387 R413 | L10-M383 HydrophobicContact CD1-SD 4.1Å; E30-M383 HydrophobicContact CG-CE 3.84Å; E30-M383 HydrophobicContact CG-CG 3.9Å; E30-M383 HydrophobicContact CG-SD 4.02Å; E30-M383 WeakPolarHBondContact OE1-CE 3.36Å; L40-M383 HydrophobicContact CD1-CE 3.62Å; L40-M383 HydrophobicContact CD1-SD 3.73Å; V379-M383 HydrophobicContact CG1-CG 4.28Å; V379-M383 VanDerWaalsContact O-CG 3.28Å; V379-M383 WeakPolarHBondContact O-CG 3.45Å; V379-M383 PolarHBondContact O-N 2.78Å; Q380-M383 PolarHBondContact O-N 2.85Å; M383-L386 PolarHBondContact O-N 3.46Å; M383-N387 WeakPolarHBondContact O-CB 3.37Å; M383-N387 VanDerWaalsContact O-CG 3.31Å; M383-N387 PolarHBondContact O-N 3.47Å; M383-N387 PolarHBondContact O-ND2 2.76Å; M383-R413 VanDerWaalsContact CB-CZ 3.5Å |
| 384 | T | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.1 | -56 | 0 | 0 | 0 | 0 | 110.6 | Q380 A381 A382 L386 N387 D388 F405 T408 L410 R413 | Q380-T384 WeakPolarHBondContact O-CB 3.49Å; Q380-T384 PolarHBondContact O-N 3.01Å; Q380-T384 PolarHBondContact O-OG1 2.87Å; A381-T384 PolarHBondContact O-N 3.21Å; A382-T384 VanDerWaalsContact C-N 3.32Å; A382-T384 PolarHBondContact O-N 3.4Å; T384-L386 PolarHBondContact O-N 2.96Å; T384-N387 PolarHBondContact O-N 3.42Å; T384-D388 HydrophobicContact CG2-CB 4.06Å; T384-D388 WeakPolarHBondContact O-CB 3.48Å; T384-D388 PolarHBondContact O-N 3.29Å; T384-F405 HydrophobicContact CG2-CD1 3.63Å; T384-F405 HydrophobicContact CG2-CE1 3.91Å; T384-T408 VanDerWaalsContact CG2-CB 3.45Å; T384-T408 HydrophobicContact CG2-CG2 3.98Å; T384-T408 VanDerWaalsContact CG2-OG1 3.27Å; T384-T408 WeakPolarHBondContact CG2-OG1 3.37Å; T384-L410 HydrophobicContact CG2-CB 4.04Å; T384-L410 WeakPolarHBondContact OG1-CD1 3.42Å; T384-R413 WeakPolarHBondContact OG1-CD 3.13Å |
| 385 | L | 97.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.9 | -40.5 | 176.6 | -170.2 | 98.1 | 0 | 0 | 0 | 112.2 | V94 Y147 I149 A381 A382 L392 F405 | V94-L385 HydrophobicContact CG1-CD2 4.24Å; V94-L385 HydrophobicContact CG2-CD2 3.48Å; V94-L385 VanDerWaalsContact CG2-CD2 3.48Å; Y147-L385 HydrophobicContact CD1-CD1 4.47Å; Y147-L385 HydrophobicContact CD2-CD1 4.05Å; Y147-L385 HydrophobicContact CG-CD1 3.81Å; I149-L385 HydrophobicContact CD1-CD1 3.57Å; A381-L385 PolarHBondContact O-N 3.28Å; A382-L385 WeakPolarHBondContact O-CB 3.24Å; A382-L385 PolarHBondContact O-N 3.49Å; L385-L392 HydrophobicContact CD1-CD1 3.82Å; L385-L392 HydrophobicContact CD1-CD2 4.43Å; L385-L392 HydrophobicContact CG-CD1 4.12Å; L385-F405 HydrophobicContact CB-CE1 4.32Å; L385-F405 HydrophobicContact CB-CZ 4.48Å |
| 386 | L | 94.4 | Very high | 96.2 | Very high | 42 Ų | 42 | 33.5 Ų | 33.5 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -76.3 | -33.7 | -178.4 | -71.7 | 174.4 | 0 | 0 | 0 | 113.8 | H9 L10 L40 T93 V94 A382 M383 T384 | H9-L386 HydrophobicContact CB-CD1 4.15Å; L10-L386 HydrophobicContact CD2-CD1 3.73Å; L10-L386 HydrophobicContact CG-CD1 4.13Å; L40-L386 HydrophobicContact CD1-CD1 3.83Å; T93-L386 HydrophobicContact CG2-CD2 3.84Å; V94-L386 HydrophobicContact CG2-CD2 3.83Å; V94-L386 HydrophobicContact CG2-CG 4.15Å; A382-L386 WeakPolarHBondContact O-CG 3.41Å; A382-L386 PolarHBondContact O-N 3.23Å; M383-L386 PolarHBondContact O-N 3.46Å; T384-L386 PolarHBondContact O-N 2.96Å |
| 387 | N | 93.1 | Very high | 96.2 | Very high | 78 Ų | 78 | 33 Ų | 33 | 42% | 0.417 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -103.9 | -24.9 | -170.5 | -57.5 | -54.6 | 0 | 0 | 0 | 113.8 | R36 M383 T384 | R36-N387 PolarHBondContact NH2-OD1 2.88Å; M383-N387 WeakPolarHBondContact O-CB 3.37Å; M383-N387 VanDerWaalsContact O-CG 3.31Å; M383-N387 PolarHBondContact O-N 3.47Å; M383-N387 PolarHBondContact O-ND2 2.76Å; T384-N387 PolarHBondContact O-N 3.42Å |
| 388 | D | 93.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | trans | -109.6 | 34.7 | -174.7 | -62.9 | 5 | 0 | 0 | 0 | 111.2 | T384 S390 D391 L392 T408 K409 | T384-D388 HydrophobicContact CG2-CB 4.06Å; T384-D388 WeakPolarHBondContact O-CB 3.48Å; T384-D388 PolarHBondContact O-N 3.29Å; D388-S390 PolarHBondContact O-N 3.22Å; D388-D391 PolarHBondContact O-N 3.35Å; D388-L392 PolarHBondContact O-N 2.87Å; D388-T408 HydrophobicContact CB-CG2 4.24Å; D388-K409 WeakPolarHBondContact OD2-CB 3.26Å; D388-K409 PolarHBondContact OD2-N 3.18Å | ||
| 389 | A | 91.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 54% | 0.537 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -57.2 | -27.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D391 | A389-D391 VanDerWaalsContact C-N 3.29Å; A389-D391 PolarHBondContact O-N 3.02Å |
| 390 | S | 94.3 | Very high | 96.2 | Very high | 108 Ų | 108 | 33.8 Ų | 33.8 | 76% | 0.755 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -71 | -23.1 | 176.8 | 53.5 | 0 | 0 | 0 | 0 | 114 | D388 | D388-S390 PolarHBondContact O-N 3.22Š|
| 391 | D | 96.7 | Very high | 96.2 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -101.4 | -1.3 | -174.8 | -61.5 | -37.7 | 0 | 0 | 0 | 112.4 | D388 A389 T408 | D388-D391 PolarHBondContact O-N 3.35Å; A389-D391 VanDerWaalsContact C-N 3.29Å; A389-D391 PolarHBondContact O-N 3.02Å; D391-T408 HydrophobicContact CB-CG2 3.93Å |
| 392 | L | 97.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -73.8 | 164.5 | 171.5 | -65.5 | -179.8 | 0 | 0 | 0 | 111.7 | Y147 L385 D388 K394 A404 F405 T408 | Y147-L392 HydrophobicContact CD2-CD1 4.49Å; Y147-L392 HydrophobicContact CE1-CB 4.15Å; Y147-L392 HydrophobicContact CE1-CD1 4.32Å; Y147-L392 HydrophobicContact CE2-CD1 4.13Å; L385-L392 HydrophobicContact CD1-CD1 3.82Å; L385-L392 HydrophobicContact CD1-CD2 4.43Å; L385-L392 HydrophobicContact CG-CD1 4.12Å; D388-L392 PolarHBondContact O-N 2.87Å; L392-K394 PolarHBondContact O-N 2.86Å; L392-A404 WeakPolarHBondContact CD2-O 3.48Å; L392-F405 HydrophobicContact CD2-CD1 3.88Å; L392-F405 HydrophobicContact CD2-CE1 3.83Å; L392-T408 HydrophobicContact CD2-CG2 4.08Å |
| 393 | P | 97 | Very high | 96.2 | Very high | 10 Ų | 10 | 34 Ų | 34 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | trans | -47 | 136.8 | 166.3 | -30.7 | 37.4 | 0 | 0 | 0 | 111.8 | Y147 Y262 A395 F399 A404 | Y147-P393 HydrophobicContact CE1-CB 4.39Å; Y147-P393 PolarHBondContact OH-O 3.04Å; Y262-P393 VanDerWaalsContact OH-CB 3.31Å; Y262-P393 WeakPolarHBondContact OH-CB 3.29Å; Y262-P393 WeakPolarHBondContact OH-CG 3.41Å; P393-A395 PolarHBondContact O-N 2.97Å; P393-F399 HydrophobicContact CB-CE1 3.88Å; P393-F399 HydrophobicContact CB-CE2 4.14Å; P393-F399 HydrophobicContact CB-CZ 3.57Å; P393-F399 HydrophobicContact CG-CD1 4.12Å; P393-F399 HydrophobicContact CG-CD2 4.49Å; P393-F399 HydrophobicContact CG-CE1 3.79Å; P393-F399 HydrophobicContact CG-CE2 4.17Å; P393-F399 HydrophobicContact CG-CG 4.47Å; P393-F399 HydrophobicContact CG-CZ 3.83Å; P393-A404 WeakPolarHBondContact CD-O 3.01Å | ||
| 394 | K | 91.9 | Very high | 96.3 | Very high | 225 Ų | 225 | 34 Ų | 34 | 98% | 0.978 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -55.3 | -27.3 | -173.2 | -70.1 | -176.7 | 177.5 | 177.9 | 0 | 114.7 | L392 | L392-K394 PolarHBondContact O-N 2.86Š|
| 395 | A | 94.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 41% | 0.413 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -122.3 | 160.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A142 Y147 P393 | A142-A395 HydrophobicContact CB-CB 4.43Å; Y147-A395 WeakPolarHBondContact CE1-O 3.29Å; P393-A395 PolarHBondContact O-N 2.97Å |
| 396 | G | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | -58 | -179.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112 | A142 V146 | A142-G396 WeakPolarHBondContact CA-O 3.09Å; A142-G396 WeakPolarHBondContact CB-O 3.48Å; V146-G396 CarbonylContact O-C 3.58Å; V146-G396 WeakPolarHBondContact O-CA 3.43Å | ||
| 397 | G | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.3 | -175 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V146 I148 F399 | V146-G397 PolarHBondContact O-N 2.96Å; I148-G397 PolarHBondContact N-O 2.75Å; G397-F399 VanDerWaalsContact CA-CE2 3.44Å |
| 398 | V | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.1 | 172.4 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | Q134 H138 A141 I148 | Q134-V398 HydrophobicContact CB-CB 4.19Å; Q134-V398 HydrophobicContact CB-CG1 3.87Å; Q134-V398 HydrophobicContact CG-CB 4.34Å; Q134-V398 HydrophobicContact CG-CG1 4.46Å; H138-V398 HydrophobicContact CB-CB 4.39Å; H138-V398 HydrophobicContact CB-CG2 4.47Å; H138-V398 PolarHBondContact ND1-N 3.41Å; H138-V398 PolarHBondContact ND1-O 2.83Å; A141-V398 HydrophobicContact CB-CG2 4.5Å; I148-V398 HydrophobicContact CB-CB 4.37Å; I148-V398 HydrophobicContact CB-CG1 4.35Å; I148-V398 HydrophobicContact CB-CG2 3.95Å; I148-V398 HydrophobicContact CG1-CG2 4.24Å; I148-V398 HydrophobicContact CG2-CG1 4.33Å; I148-V398 HydrophobicContact CG2-CG2 4.4Å; I148-V398 CarbonylContact O-C 3.38Å; I148-V398 VanDerWaalsContact O-CA 3.31Å; I148-V398 WeakPolarHBondContact O-CA 3.18Å |
| 399 | F | 98.6 | Very high | 96.9 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.1 | -171.3 | -59.4 | -77.3 | 0 | 0 | 0 | 112.3 | H138 Y147 I148 I149 G150 Y262 P393 G397 A403 A404 | H138-F399 AromaticContact CE1-CE1 4Å; Y147-F399 HydrophobicContact CD1-CD2 4.01Å; Y147-F399 AromaticContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CE1-CE2 4.15Å; I148-F399 PolarHBondContact O-N 3.32Å; I149-F399 WeakPolarHBondContact CA-O 3.42Å; G150-F399 PolarHBondContact N-O 3.21Å; Y262-F399 HydrophobicContact CD2-CD1 4.42Å; Y262-F399 HydrophobicContact CD2-CE1 4.21Å; Y262-F399 HydrophobicContact CE2-CD1 4.25Å; Y262-F399 AromaticContact CE2-CE1 3.7Å; Y262-F399 HydrophobicContact CE2-CE1 3.7Å; P393-F399 HydrophobicContact CB-CE1 3.88Å; P393-F399 HydrophobicContact CB-CE2 4.14Å; P393-F399 HydrophobicContact CB-CZ 3.57Å; P393-F399 HydrophobicContact CG-CD1 4.12Å; P393-F399 HydrophobicContact CG-CD2 4.49Å; P393-F399 HydrophobicContact CG-CE1 3.79Å; P393-F399 HydrophobicContact CG-CE2 4.17Å; P393-F399 HydrophobicContact CG-CG 4.47Å; P393-F399 HydrophobicContact CG-CZ 3.83Å; G397-F399 VanDerWaalsContact CA-CE2 3.44Å; F399-A403 HydrophobicContact CB-CB 4.34Å; F399-A403 HydrophobicContact CD1-CB 4.22Å; F399-A404 HydrophobicContact CB-CB 3.89Å; F399-A404 HydrophobicContact CG-CB 4.42Å |
| 400 | T | 98.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | trans | -82.6 | 162.9 | 159.3 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | V255 R258 T259 G402 A403 A404 | V255-T400 HydrophobicContact CB-CG2 4.41Å; V255-T400 HydrophobicContact CG1-CG2 3.78Å; R258-T400 HydrophobicContact CB-CG2 3.7Å; T259-T400 WeakPolarHBondContact OG1-CB 3.34Å; T259-T400 PolarHBondContact OG1-OG1 3.23Å; T400-G402 PolarHBondContact O-N 3.12Å; T400-A403 PolarHBondContact O-N 3.27Å; T400-A403 VanDerWaalsContact OG1-CB 3.24Å; T400-A403 WeakPolarHBondContact OG1-CB 3.34Å; T400-A403 PolarHBondContact OG1-N 2.82Å; T400-A404 PolarHBondContact O-N 3.24Å | ||
| 401 | P | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | -179.9 | -24.2 | 34.5 | 0 | 0 | 0 | 112.6 | I149 G150 S151 I157 A403 A404 F405 | I149-P401 HydrophobicContact CG2-CG 4.48Å; G150-P401 VanDerWaalsContact O-CD 3.31Å; G150-P401 WeakPolarHBondContact O-CD 3.44Å; G150-P401 WeakPolarHBondContact O-CG 3.38Å; S151-P401 WeakPolarHBondContact O-CG 3.42Å; I157-P401 HydrophobicContact CD1-CB 4.36Å; I157-P401 HydrophobicContact CG1-CB 3.61Å; I157-P401 HydrophobicContact CG1-CG 3.79Å; P401-A403 PolarHBondContact O-N 3.23Å; P401-A404 PolarHBondContact O-N 2.86Å; P401-F405 HydrophobicContact CB-CD2 4.28Å; P401-F405 VanDerWaalsContact O-CB 3.25Å; P401-F405 WeakPolarHBondContact O-CB 3.48Å; P401-F405 VanDerWaalsContact O-CD2 3.23Å; P401-F405 WeakPolarHBondContact O-CD2 3.44Å; P401-F405 PolarHBondContact O-N 3.38Å |
| 402 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -33.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D160 T400 S406 | D160-G402 WeakPolarHBondContact OD2-CA 3.46Å; D160-G402 PolarHBondContact OD2-N 3.29Å; T400-G402 PolarHBondContact O-N 3.12Å; G402-S406 WeakPolarHBondContact O-CB 3.24Å; G402-S406 PolarHBondContact O-N 3.26Å; G402-S406 VanDerWaalsContact O-N 3.14Å; G402-S406 PolarHBondContact O-OG 3.14Å |
| 403 | A | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y262 F399 T400 P401 | Y262-A403 HydrophobicContact CD1-CB 3.56Å; Y262-A403 HydrophobicContact CD2-CB 4.5Å; Y262-A403 HydrophobicContact CE1-CB 4.28Å; Y262-A403 VanDerWaalsContact CE1-O 3.31Å; Y262-A403 WeakPolarHBondContact CE1-O 3.45Å; Y262-A403 HydrophobicContact CG-CB 3.7Å; F399-A403 HydrophobicContact CB-CB 4.34Å; F399-A403 HydrophobicContact CD1-CB 4.22Å; T400-A403 PolarHBondContact O-N 3.27Å; T400-A403 VanDerWaalsContact OG1-CB 3.24Å; T400-A403 WeakPolarHBondContact OG1-CB 3.34Å; T400-A403 PolarHBondContact OG1-N 2.82Å; P401-A403 PolarHBondContact O-N 3.23Å |
| 404 | A | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.5 | -37.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | I149 L392 P393 F399 T400 P401 | I149-A404 HydrophobicContact CD1-CB 3.69Å; I149-A404 HydrophobicContact CG1-CB 4.25Å; I149-A404 HydrophobicContact CG2-CB 4.39Å; L392-A404 WeakPolarHBondContact CD2-O 3.48Å; P393-A404 WeakPolarHBondContact CD-O 3.01Å; F399-A404 HydrophobicContact CB-CB 3.89Å; F399-A404 HydrophobicContact CG-CB 4.42Å; T400-A404 PolarHBondContact O-N 3.24Å; P401-A404 PolarHBondContact O-N 2.86Å |
| 405 | F | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -116.4 | 3.1 | -163.6 | -59 | -57.8 | 0 | 0 | 0 | 114.9 | I149 A381 T384 L385 L392 P401 K407 T408 L410 | I149-F405 HydrophobicContact CD1-CE1 4.01Å; I149-F405 HydrophobicContact CD1-CE2 3.67Å; I149-F405 HydrophobicContact CD1-CZ 3.28Å; I149-F405 HydrophobicContact CG2-CE2 3.98Å; A381-F405 HydrophobicContact CB-CE2 3.75Å; A381-F405 HydrophobicContact CB-CZ 3.99Å; A381-F405 WeakPolarHBondContact O-CZ 3.35Å; T384-F405 HydrophobicContact CG2-CD1 3.63Å; T384-F405 HydrophobicContact CG2-CE1 3.91Å; L385-F405 HydrophobicContact CB-CE1 4.32Å; L385-F405 HydrophobicContact CB-CZ 4.48Å; L392-F405 HydrophobicContact CD2-CD1 3.88Å; L392-F405 HydrophobicContact CD2-CE1 3.83Å; P401-F405 HydrophobicContact CB-CD2 4.28Å; P401-F405 VanDerWaalsContact O-CB 3.25Å; P401-F405 WeakPolarHBondContact O-CB 3.48Å; P401-F405 VanDerWaalsContact O-CD2 3.23Å; P401-F405 WeakPolarHBondContact O-CD2 3.44Å; P401-F405 PolarHBondContact O-N 3.38Å; F405-K407 PolarHBondContact O-N 3.29Å; F405-K407 VanDerWaalsContact O-N 3.08Å; F405-T408 WeakPolarHBondContact CA-OG1 3.44Å; F405-T408 HydrophobicContact CB-CG2 4.44Å; F405-T408 WeakPolarHBondContact CB-OG1 3.46Å; F405-T408 HydrophobicContact CD1-CG2 4.1Å; F405-T408 PolarHBondContact O-N 3Å; F405-T408 PolarHBondContact O-OG1 3.21Å; F405-L410 HydrophobicContact CB-CB 4.08Å; F405-L410 HydrophobicContact CB-CD2 3.7Å; F405-L410 HydrophobicContact CD1-CD2 4.38Å; F405-L410 HydrophobicContact CD2-CD2 3.35Å; F405-L410 HydrophobicContact CE2-CD2 3.98Å; F405-L410 HydrophobicContact CG-CB 4.44Å; F405-L410 HydrophobicContact CG-CD2 3.57Å |
| 406 | S | 97 | Very high | 98 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.7 | -177.5 | 47.4 | 0 | 0 | 0 | 0 | 115 | G402 | G402-S406 WeakPolarHBondContact O-CB 3.24Å; G402-S406 PolarHBondContact O-N 3.26Å; G402-S406 VanDerWaalsContact O-N 3.14Å; G402-S406 PolarHBondContact O-OG 3.14Å |
| 407 | K | 96.9 | Very high | 98 | Very high | 121 Ų | 121 | 34.5 Ų | 34.5 | 53% | 0.526 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 5.4 | 179.5 | -62.1 | -170.3 | 177.3 | -176.4 | 0 | 114.1 | F405 | F405-K407 PolarHBondContact O-N 3.29Å; F405-K407 VanDerWaalsContact O-N 3.08Å |
| 408 | T | 97.9 | Very high | 97.9 | Very high | 20 Ų | 20 | 35.9 Ų | 35.9 | 12% | 0.123 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -102 | 178.6 | -175 | 71.2 | 0 | 0 | 0 | 0 | 112 | T384 D388 D391 L392 F405 L410 | T384-T408 VanDerWaalsContact CG2-CB 3.45Å; T384-T408 HydrophobicContact CG2-CG2 3.98Å; T384-T408 VanDerWaalsContact CG2-OG1 3.27Å; T384-T408 WeakPolarHBondContact CG2-OG1 3.37Å; D388-T408 HydrophobicContact CB-CG2 4.24Å; D391-T408 HydrophobicContact CB-CG2 3.93Å; L392-T408 HydrophobicContact CD2-CG2 4.08Å; F405-T408 WeakPolarHBondContact CA-OG1 3.44Å; F405-T408 HydrophobicContact CB-CG2 4.44Å; F405-T408 WeakPolarHBondContact CB-OG1 3.46Å; F405-T408 HydrophobicContact CD1-CG2 4.1Å; F405-T408 PolarHBondContact O-N 3Å; F405-T408 PolarHBondContact O-OG1 3.21Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 2.92Å; T408-L410 PolarHBondContact OG1-N 3.35Å |
| 409 | K | 97 | Very high | 97.9 | Very high | 122 Ų | 122 | 35.7 Ų | 35.7 | 53% | 0.53 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -87.6 | 14.4 | 177.9 | -60 | 174.5 | -176.9 | 168.2 | 0 | 113.8 | D388 I411 D412 R413 | D388-K409 WeakPolarHBondContact OD2-CB 3.26Å; D388-K409 PolarHBondContact OD2-N 3.18Å; K409-I411 VanDerWaalsContact C-N 3.31Å; K409-I411 PolarHBondContact O-N 3.43Å; K409-D412 PolarHBondContact O-N 2.89Å; K409-R413 WeakPolarHBondContact O-CG 3.49Å; K409-R413 PolarHBondContact O-N 3.48Å |
| 410 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56 | -42.8 | -177 | -179.5 | 53.7 | 0 | 0 | 0 | 112.6 | L161 Q380 A381 T384 F405 T408 D412 R413 L414 | L161-L410 HydrophobicContact CD1-CB 4.37Å; L161-L410 HydrophobicContact CD1-CD2 3.59Å; L161-L410 HydrophobicContact CD1-CG 3.74Å; Q380-L410 HydrophobicContact CB-CD1 3.9Å; A381-L410 HydrophobicContact CB-CD2 4.35Å; T384-L410 HydrophobicContact CG2-CB 4.04Å; T384-L410 WeakPolarHBondContact OG1-CD1 3.42Å; F405-L410 HydrophobicContact CB-CB 4.08Å; F405-L410 HydrophobicContact CB-CD2 3.7Å; F405-L410 HydrophobicContact CD1-CD2 4.38Å; F405-L410 HydrophobicContact CD2-CD2 3.35Å; F405-L410 HydrophobicContact CE2-CD2 3.98Å; F405-L410 HydrophobicContact CG-CB 4.44Å; F405-L410 HydrophobicContact CG-CD2 3.57Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 2.92Å; T408-L410 PolarHBondContact OG1-N 3.35Å; L410-D412 VanDerWaalsContact C-N 3.32Å; L410-D412 PolarHBondContact O-N 3.41Å; L410-R413 PolarHBondContact O-N 3.48Å; L410-L414 HydrophobicContact CD1-CD1 4.12Å; L410-L414 HydrophobicContact CD1-CD2 4.33Å; L410-L414 HydrophobicContact CD1-CG 3.94Å; L410-L414 HydrophobicContact CG-CD1 3.94Å; L410-L414 HydrophobicContact CG-CG 4.26Å; L410-L414 WeakPolarHBondContact O-CB 3.35Å; L410-L414 WeakPolarHBondContact O-CG 3.35Å; L410-L414 PolarHBondContact O-N 2.78Å |
| 411 | I | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 40.9 Ų | 40.9 | 13% | 0.133 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 177.5 | -68 | 172.2 | 0 | 0 | 0 | 111.1 | L161 Y165 K409 R413 L414 N415 F421 | L161-I411 HydrophobicContact CB-CD1 4.32Å; L161-I411 HydrophobicContact CB-CG1 4.14Å; L161-I411 HydrophobicContact CD1-CG1 4.09Å; Y165-I411 HydrophobicContact CD2-CD1 4.39Å; Y165-I411 HydrophobicContact CD2-CG2 4.02Å; Y165-I411 HydrophobicContact CE2-CG2 4.46Å; K409-I411 VanDerWaalsContact C-N 3.31Å; K409-I411 PolarHBondContact O-N 3.43Å; I411-R413 VanDerWaalsContact C-N 3.35Å; I411-L414 PolarHBondContact O-N 3.04Å; I411-N415 PolarHBondContact O-N 3.45Å; I411-N415 PolarHBondContact O-ND2 2.81Å; I411-F421 HydrophobicContact CG2-CB 4.21Å; I411-F421 HydrophobicContact CG2-CD1 4.33Å; I411-F421 HydrophobicContact CG2-CD2 3.92Å; I411-F421 HydrophobicContact CG2-CE2 4.39Å; I411-F421 HydrophobicContact CG2-CG 3.91Å |
| 412 | D | 97.9 | Very high | 97.9 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 52% | 0.524 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 179 | -61.4 | -30.1 | 0 | 0 | 0 | 111.4 | K409 L410 N415 K416 | K409-D412 PolarHBondContact O-N 2.89Å; L410-D412 VanDerWaalsContact C-N 3.32Å; L410-D412 PolarHBondContact O-N 3.41Å; D412-N415 PolarHBondContact O-N 3.23Å; D412-K416 PolarHBondContact O-N 3Å; D412-K416 VanDerWaalsContact O-N 3.11Å |
| 413 | R | 96.8 | Very high | 97.9 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 18% | 0.177 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 174.4 | -67 | -177.4 | 67.5 | 86.7 | 10.2 | 111.6 | E30 Q380 M383 T384 K409 L410 I411 K416 H417 | E30-R413 IonicContact OE1-CZ 2.72Å; E30-R413 IonicContact OE1-NH2 2.81Å; E30-R413 PolarHBondContact OE1-NH2 3.48Å; E30-R413 IonicContact OE2-NH2 3.78Å; Q380-R413 HydrophobicContact CB-CB 4.43Å; M383-R413 VanDerWaalsContact CB-CZ 3.5Å; T384-R413 WeakPolarHBondContact OG1-CD 3.13Å; K409-R413 WeakPolarHBondContact O-CG 3.49Å; K409-R413 PolarHBondContact O-N 3.48Å; L410-R413 PolarHBondContact O-N 3.48Å; I411-R413 VanDerWaalsContact C-N 3.35Å; R413-K416 PolarHBondContact O-N 3.43Å; R413-H417 PolarHBondContact O-N 2.85Å; R413-H417 PolarHBondContact O-ND1 3.23Å |
| 414 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 177 | -70.2 | 170.8 | 0 | 0 | 0 | 111.6 | I157 L161 I376 A377 Q380 L410 I411 K416 H417 G418 I419 F421 | I157-L414 HydrophobicContact CG2-CD1 3.59Å; L161-L414 HydrophobicContact CD1-CD1 3.76Å; I376-L414 HydrophobicContact CG2-CD2 4.4Å; A377-L414 HydrophobicContact CB-CD2 4.33Å; Q380-L414 HydrophobicContact CB-CD2 4.1Å; Q380-L414 HydrophobicContact CG-CD2 4.45Å; L410-L414 HydrophobicContact CD1-CD1 4.12Å; L410-L414 HydrophobicContact CD1-CD2 4.33Å; L410-L414 HydrophobicContact CD1-CG 3.94Å; L410-L414 HydrophobicContact CG-CD1 3.94Å; L410-L414 HydrophobicContact CG-CG 4.26Å; L410-L414 WeakPolarHBondContact O-CB 3.35Å; L410-L414 WeakPolarHBondContact O-CG 3.35Å; L410-L414 PolarHBondContact O-N 2.78Å; I411-L414 PolarHBondContact O-N 3.04Å; L414-K416 VanDerWaalsContact C-N 3.33Å; L414-K416 PolarHBondContact O-N 2.96Å; L414-H417 CarbonylContact O-C 3.54Å; L414-H417 WeakPolarHBondContact O-CA 3.27Å; L414-H417 PolarHBondContact O-N 3.25Å; L414-G418 PolarHBondContact O-N 3.41Å; L414-I419 CarbonylContact C-O 3.48Å; L414-I419 HydrophobicContact CB-CB 4.1Å; L414-I419 HydrophobicContact CB-CG2 4.41Å; L414-I419 HydrophobicContact CD2-CB 4.44Å; L414-I419 HydrophobicContact CD2-CD1 3.97Å; L414-I419 PolarHBondContact O-N 2.96Å; L414-F421 HydrophobicContact CB-CE2 4.04Å; L414-F421 HydrophobicContact CD1-CE2 3.94Å; L414-F421 HydrophobicContact CD1-CZ 4.16Å |
| 415 | N | 98.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 174.8 | -75.8 | -37.3 | 0 | 0 | 0 | 111.5 | I411 D412 H417 G418 I419 E420 F421 | I411-N415 PolarHBondContact O-N 3.45Å; I411-N415 PolarHBondContact O-ND2 2.81Å; D412-N415 PolarHBondContact O-N 3.23Å; N415-H417 PolarHBondContact O-N 3.24Å; N415-G418 PolarHBondContact O-N 3.27Å; N415-I419 WeakPolarHBondContact CA-O 3.42Å; N415-I419 PolarHBondContact N-O 2.98Å; N415-I419 PolarHBondContact OD1-O 2.84Å; N415-E420 VanDerWaalsContact OD1-CA 3.29Å; N415-E420 WeakPolarHBondContact OD1-CA 3.45Å; N415-F421 PolarHBondContact OD1-N 3.49Å |
| 416 | K | 96.6 | Very high | 97.5 | Very high | 143 Ų | 143 | 56.1 Ų | 56.1 | 62% | 0.622 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.4 | -23.8 | 176.7 | -73.4 | -174.6 | 172.7 | -165.7 | 0 | 113.4 | E35 D412 R413 L414 | E35-K416 IonicContact OE1-NZ 2.95Å; E35-K416 IonicContact OE2-NZ 3.18Å; E35-K416 PolarHBondContact OE2-NZ 2.75Å; D412-K416 PolarHBondContact O-N 3Å; D412-K416 VanDerWaalsContact O-N 3.11Å; R413-K416 PolarHBondContact O-N 3.43Å; L414-K416 VanDerWaalsContact C-N 3.33Å; L414-K416 PolarHBondContact O-N 2.96Å |
| 417 | H | 97 | Very high | 97.2 | Very high | 48 Ų | 48 | 57.9 Ų | 57.9 | 22% | 0.222 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 21.1 | -177.5 | -66.3 | 77.8 | 0 | 0 | 0 | 112.9 | E30 I376 Q380 R413 L414 N415 I419 | E30-H417 IonicContact OE2-CE1 3.36Å; E30-H417 IonicContact OE2-NE2 3.82Å; E30-H417 PolarHBondContact OE2-NE2 3.13Å; I376-H417 WeakPolarHBondContact CD1-O 3.25Å; I376-H417 HydrophobicContact CG2-CB 3.56Å; Q380-H417 HydrophobicContact CG-CB 4.45Å; Q380-H417 PolarHBondContact NE2-CD2 3.47Å; Q380-H417 PolarHBondContact NE2-NE2 3.45Å; R413-H417 PolarHBondContact O-N 2.85Å; R413-H417 PolarHBondContact O-ND1 3.23Å; L414-H417 CarbonylContact O-C 3.54Å; L414-H417 WeakPolarHBondContact O-CA 3.27Å; L414-H417 PolarHBondContact O-N 3.25Å; N415-H417 PolarHBondContact O-N 3.24Å; H417-I419 PolarHBondContact O-N 3.13Å |
| 418 | G | 97.3 | Very high | 96.6 | Very high | 29 Ų | 29 | 58.9 Ų | 58.9 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 13.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G366 P367 L414 N415 | G366-G418 WeakPolarHBondContact CA-O 3.46Å; P367-G418 VanDerWaalsContact CD-O 3.25Å; P367-G418 WeakPolarHBondContact CD-O 3.4Å; L414-G418 PolarHBondContact O-N 3.41Å; N415-G418 PolarHBondContact O-N 3.27Å |
| 419 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -103.7 | 91.9 | 163.8 | -60.4 | 174.9 | 0 | 0 | 0 | 107.2 | F336 V364 K365 A373 I376 A377 L414 N415 H417 F421 | F336-I419 HydrophobicContact CZ-CG2 4.37Å; V364-I419 HydrophobicContact CG1-CG2 3.83Å; K365-I419 CarbonylContact O-C 3.48Å; K365-I419 WeakPolarHBondContact O-CA 3.41Å; A373-I419 HydrophobicContact CB-CD1 3.97Å; A373-I419 HydrophobicContact CB-CG1 4.36Å; A373-I419 WeakPolarHBondContact O-CD1 3.48Å; I376-I419 HydrophobicContact CB-CD1 4.08Å; I376-I419 HydrophobicContact CG2-CD1 3.74Å; I376-I419 HydrophobicContact CG2-CG1 4.25Å; A377-I419 HydrophobicContact CB-CD1 4.26Å; L414-I419 CarbonylContact C-O 3.48Å; L414-I419 HydrophobicContact CB-CB 4.1Å; L414-I419 HydrophobicContact CB-CG2 4.41Å; L414-I419 HydrophobicContact CD2-CB 4.44Å; L414-I419 HydrophobicContact CD2-CD1 3.97Å; L414-I419 PolarHBondContact O-N 2.96Å; N415-I419 WeakPolarHBondContact CA-O 3.42Å; N415-I419 PolarHBondContact N-O 2.98Å; N415-I419 PolarHBondContact OD1-O 2.84Å; H417-I419 PolarHBondContact O-N 3.13Å; I419-F421 HydrophobicContact CG2-CE2 3.99Å; I419-F421 WeakPolarHBondContact O-CD2 3.35Å | ||
| 420 | E | 98.7 | Very high | 95.4 | Very high | 111 Ų | 111 | 60.8 Ų | 60.8 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126 | -163.8 | -63.9 | 176.7 | -177.1 | 0 | 0 | 112.6 | V364 K365 N415 | V364-E420 CarbonylContact C-O 3.54Å; V364-E420 WeakPolarHBondContact CA-O 2.93Å; K365-E420 PolarHBondContact N-O 3.23Å; K365-E420 PolarHBondContact O-N 3.25Å; N415-E420 VanDerWaalsContact OD1-CA 3.29Å; N415-E420 WeakPolarHBondContact OD1-CA 3.45Å |
| 421 | F | 98.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 63.9 Ų | 63.9 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.9 | 176 | -66.2 | -110 | 0 | 0 | 0 | 110.1 | L161 Y165 Q363 V364 I411 L414 N415 I419 | L161-F421 HydrophobicContact CB-CE1 4Å; L161-F421 HydrophobicContact CB-CZ 4.05Å; Y165-F421 HydrophobicContact CD1-CB 4.19Å; Y165-F421 HydrophobicContact CD1-CD1 4.38Å; Y165-F421 HydrophobicContact CD2-CB 3.72Å; Y165-F421 HydrophobicContact CD2-CD1 4.12Å; Y165-F421 HydrophobicContact CD2-CG 4.25Å; Y165-F421 HydrophobicContact CE1-CB 4.13Å; Y165-F421 HydrophobicContact CE2-CB 3.6Å; Y165-F421 HydrophobicContact CG-CB 3.99Å; Y165-F421 AromaticContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CG 4.35Å; Y165-F421 PolarHBondContact OH-O 3.28Å; Y165-F421 VanDerWaalsContact OH-O 3.07Å; Q363-F421 WeakPolarHBondContact O-CA 3.26Å; V364-F421 HydrophobicContact CG1-CD2 4.4Å; V364-F421 HydrophobicContact CG1-CE1 4.29Å; V364-F421 HydrophobicContact CG1-CE2 4.13Å; V364-F421 HydrophobicContact CG1-CZ 4.06Å; V364-F421 HydrophobicContact CG2-CD1 3.36Å; V364-F421 HydrophobicContact CG2-CE1 3.38Å; V364-F421 HydrophobicContact CG2-CG 3.95Å; V364-F421 HydrophobicContact CG2-CZ 4.01Å; I411-F421 HydrophobicContact CG2-CB 4.21Å; I411-F421 HydrophobicContact CG2-CD1 4.33Å; I411-F421 HydrophobicContact CG2-CD2 3.92Å; I411-F421 HydrophobicContact CG2-CE2 4.39Å; I411-F421 HydrophobicContact CG2-CG 3.91Å; L414-F421 HydrophobicContact CB-CE2 4.04Å; L414-F421 HydrophobicContact CD1-CE2 3.94Å; L414-F421 HydrophobicContact CD1-CZ 4.16Å; N415-F421 PolarHBondContact OD1-N 3.49Å; I419-F421 HydrophobicContact CG2-CE2 3.99Å; I419-F421 WeakPolarHBondContact O-CD2 3.35Å |
| 422 | S | 98.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 66.1 Ų | 66.1 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 152.6 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | Y165 T362 Q363 | Y165-S422 WeakPolarHBondContact OH-CA 3.46Å; T362-S422 CarbonylContact C-O 3.3Å; T362-S422 VanDerWaalsContact CA-O 3.22Å; T362-S422 WeakPolarHBondContact CA-O 3.25Å; T362-S422 WeakPolarHBondContact CB-O 3.29Å; Q363-S422 PolarHBondContact N-O 3Å; Q363-S422 PolarHBondContact O-N 3.42Å; Q363-S422 PolarHBondContact O-OG 3.07Å |
| 423 | V | 98.3 | Very high | 94.9 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.2 | 167.6 | -178.1 | 0 | 0 | 0 | 0 | 108 | Y165 K169 I360 T362 | Y165-V423 HydrophobicContact CE1-CG2 4.17Å; K169-V423 HydrophobicContact CB-CG2 3.75Å; K169-V423 HydrophobicContact CD-CG2 4.14Å; K169-V423 HydrophobicContact CG-CG2 3.69Å; I360-V423 HydrophobicContact CG1-CG1 4.43Å; T362-V423 HydrophobicContact CG2-CG2 4.3Å |
| 424 | I | 97.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -42.2 | 178.4 | -56.3 | -56.1 | 0 | 0 | 0 | 110.6 | C361 Q363 | C361-I424 HydrophobicContact CB-CB 4.18Å; C361-I424 PolarHBondContact O-N 3.5Å; Q363-I424 HydrophobicContact CB-CD1 3.9Å; Q363-I424 HydrophobicContact CB-CG1 3.7Å |
| 425 | S | 95.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 69.6 Ų | 69.6 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 154.2 | 174.2 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | I360 C361 | I360-S425 CarbonylContact C-O 3.52Å; I360-S425 WeakPolarHBondContact CA-O 3.2Å; I360-S425 WeakPolarHBondContact CG1-O 3.38Å; C361-S425 VanDerWaalsContact CB-OG 3.3Å; C361-S425 WeakPolarHBondContact CB-OG 3.39Å; C361-S425 PolarHBondContact N-O 3.38Å; C361-S425 PolarHBondContact O-N 3.09Å; C361-S425 VanDerWaalsContact O-N 3.16Å |
| 426 | S | 92.8 | Very high | 94.3 | Very high | 69 Ų | 69 | 70.9 Ų | 70.9 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 130.7 | 169.8 | -171.3 | 0 | 0 | 0 | 0 | 108.1 | K359 | K359-S426 WeakPolarHBondContact O-CA 3.46Å |
| 427 | S | 89.6 | Confident | 94.1 | Very high | 59 Ų | 59 | 65.4 Ų | 65.4 | 41% | 0.413 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 139.2 | -175.6 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | K359 | K359-S427 PolarHBondContact N-O 3.38Å; K359-S427 PolarHBondContact O-N 3.12Å |
| 428 | E | 84.7 | Confident | 93.9 | Very high | 142 Ų | 142 | 66.8 Ų | 66.8 | 66% | 0.664 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 141.8 | 160.9 | -58.8 | -167.2 | 165.6 | 0 | 0 | 109.6 | N357 I358 | N357-E428 CarbonylContact O-C 3.58Å; N357-E428 WeakPolarHBondContact O-CA 3.4Å; I358-E428 HydrophobicContact CG1-CG 4.29Å |
| 429 | V | 75.6 | Confident | 93.6 | Very high | 121 Ų | 121 | 70.3 Ų | 70.3 | 73% | 0.733 | 40% | 0.404 | S | S | * | . | trans | -126.1 | 0 | -170.4 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | N357 K359 | N357-V429 PolarHBondContact O-N 3.42Å; K359-V429 HydrophobicContact CB-CG2 4.16Å; K359-V429 HydrophobicContact CD-CG2 3.79Å; K359-V429 HydrophobicContact CG-CG2 3.77Å |
Retrieved 429 of 429 residues in 240.6 ms
(Link to these results)