| 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 | E | 61.4 | Low | 92.4 | Very high | 165 Ų | 165 | 67.3 Ų | 67.3 | 77% | 0.771 | 30% | 0.299 | S | S | * | . | 0 | 139.4 | 0 | -102.6 | -166 | -146.5 | 0 | 0 | 111.1 | G58 | E1-G58 VanDerWaalsContact OE1-CA 3.27Å; E1-G58 WeakPolarHBondContact OE1-CA 3.34Å; E1-G58 WeakPolarHBondContact OE2-CA 3.47Å; E1-G58 PolarHBondContact OE2-N 3.02Å | |||
| 2 | N | 83.1 | Confident | 92.8 | Very high | 146 Ų | 146 | 64.7 Ų | 64.7 | 78% | 0.781 | 29% | 0.292 | S | S | * | . | trans | -115.1 | 29 | -165.5 | -66.9 | -20.9 | 0 | 0 | 0 | 114 | R4 | N2-R4 PolarHBondContact O-N 3.4Å; N2-R4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | M | 88.3 | Confident | 92.8 | Very high | 15 Ų | 15 | 61.2 Ų | 61.2 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | trans | -56.6 | 119.3 | 177 | 176.3 | 173.4 | 56.9 | 0 | 0 | 110.9 | F6 F28 K57 D101 | M3-F6 HydrophobicContact SD-CD1 3.74Å; M3-F6 HydrophobicContact SD-CE1 4Å; M3-F28 HydrophobicContact CE-CD2 3.99Å; M3-F28 HydrophobicContact CE-CE1 4.16Å; M3-F28 HydrophobicContact CE-CE2 3.12Å; M3-F28 HydrophobicContact CE-CZ 3.21Å; M3-F28 HydrophobicContact CG-CD2 3.89Å; M3-F28 HydrophobicContact CG-CE2 3.87Å; M3-F28 HydrophobicContact SD-CD2 4.23Å; M3-F28 HydrophobicContact SD-CE2 3.58Å; M3-F28 VanDerWaalsContact SD-CE2 3.58Å; M3-F28 HydrophobicContact SD-CZ 4.26Å; M3-K57 HydrophobicContact CB-CG 4.3Å; M3-K57 HydrophobicContact CE-CB 4.46Å; M3-K57 HydrophobicContact CE-CG 3.94Å; M3-K57 WeakPolarHBondContact O-CE 3.47Å; M3-K57 PolarHBondContact O-NZ 3.42Å; M3-K57 VanDerWaalsContact O-NZ 3.11Å; M3-D101 HydrophobicContact CB-CB 4.13Å; M3-D101 HydrophobicContact CG-CB 4.05Å; M3-D101 WeakPolarHBondContact CG-O 3.43Å | ||
| 4 | R | 94.7 | Very high | 92.7 | Very high | 189 Ų | 189 | 66.9 Ų | 66.9 | 71% | 0.713 | 31% | 0.311 | S | S | * | . | trans | -104.6 | -45.5 | 173 | -63.6 | -177.8 | 172.8 | -171.8 | -2 | 110.4 | N2 F28 D101 | N2-R4 PolarHBondContact O-N 3.4Å; N2-R4 VanDerWaalsContact O-N 3.11Å; R4-F28 PolarHBondContact O-N 3.22Å; R4-D101 WeakPolarHBondContact CA-OD2 3.25Å; R4-D101 VanDerWaalsContact CB-OD2 3.31Å; R4-D101 WeakPolarHBondContact CB-OD2 3.4Å; R4-D101 PolarHBondContact N-OD2 3.21Å | ||
| 5 | R | 97.5 | Very high | 92.5 | Very high | 147 Ų | 147 | 71.1 Ų | 71.1 | 56% | 0.555 | 34% | 0.337 | S | S | * | . | B | Isolated β-bridge | trans | -161.6 | 155.5 | 175.7 | 64.9 | -174.8 | -169.7 | 172.5 | 5.4 | 111.5 | P26 R27 D101 | R5-P26 VanDerWaalsContact CA-O 3.25Å; R5-P26 WeakPolarHBondContact CA-O 3.27Å; R5-P26 VanDerWaalsContact CB-O 3.29Å; R5-P26 WeakPolarHBondContact CB-O 2.96Å; R5-R27 HydrophobicContact CB-CG 4.4Å; R5-D101 PolarHBondContact N-OD2 2.88Å; R5-D101 PolarHBondContact O-N 2.91Å |
| 6 | F | 98.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 77 Ų | 77 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 170.2 | 161.1 | 69.2 | -91.9 | 0 | 0 | 0 | 110 | M3 F24 N25 P26 F55 F61 L63 D99 L102 | M3-F6 HydrophobicContact SD-CD1 3.74Å; M3-F6 HydrophobicContact SD-CE1 4Å; F6-F24 HydrophobicContact CE2-CD1 4.5Å; F6-F24 HydrophobicContact CE2-CE1 4.12Å; F6-F24 HydrophobicContact CZ-CE1 4.41Å; F6-N25 WeakPolarHBondContact O-CA 3.35Å; F6-N25 PolarHBondContact O-ND2 3.1Å; F6-P26 HydrophobicContact CD1-CB 4.27Å; F6-P26 HydrophobicContact CD1-CG 4.35Å; F6-P26 HydrophobicContact CD2-CG 4.47Å; F6-P26 HydrophobicContact CE1-CB 3.87Å; F6-P26 HydrophobicContact CE1-CG 3.77Å; F6-P26 HydrophobicContact CE2-CG 3.91Å; F6-P26 HydrophobicContact CZ-CB 4.19Å; F6-P26 HydrophobicContact CZ-CG 3.55Å; F6-P26 PolarHBondContact N-O 3.37Å; F6-P26 VanDerWaalsContact O-CD 3.25Å; F6-P26 WeakPolarHBondContact O-CD 3.25Å; F6-F55 HydrophobicContact CE1-CD1 4.39Å; F6-F55 HydrophobicContact CE1-CD2 4.18Å; F6-F55 HydrophobicContact CE1-CE2 4.42Å; F6-F55 HydrophobicContact CE1-CG 4.18Å; F6-F55 HydrophobicContact CZ-CD1 4.09Å; F6-F55 HydrophobicContact CZ-CD2 4.08Å; F6-F55 AromaticContact CZ-CE1 3.87Å; F6-F55 HydrophobicContact CZ-CE1 3.87Å; F6-F55 AromaticContact CZ-CE2 3.88Å; F6-F55 HydrophobicContact CZ-CE2 3.88Å; F6-F55 HydrophobicContact CZ-CG 4.19Å; F6-F55 AromaticContact CZ-CZ 3.77Å; F6-F55 HydrophobicContact CZ-CZ 3.77Å; F6-F61 HydrophobicContact CE1-CZ 4.49Å; F6-F61 HydrophobicContact CE2-CZ 4.3Å; F6-F61 HydrophobicContact CZ-CE1 4.35Å; F6-F61 HydrophobicContact CZ-CE2 4.44Å; F6-F61 AromaticContact CZ-CZ 3.93Å; F6-F61 HydrophobicContact CZ-CZ 3.93Å; F6-L63 HydrophobicContact CE2-CD2 4.5Å; F6-D99 CarbonylContact C-O 3.53Å; F6-D99 WeakPolarHBondContact CA-O 3.17Å; F6-L102 HydrophobicContact CB-CB 4.47Å; F6-L102 HydrophobicContact CB-CD2 3.35Å; F6-L102 HydrophobicContact CB-CG 4.48Å; F6-L102 HydrophobicContact CD1-CD2 4.37Å; F6-L102 HydrophobicContact CD2-CD2 3.58Å; F6-L102 HydrophobicContact CE2-CD2 4.41Å; F6-L102 HydrophobicContact CG-CD2 3.54Å |
| 7 | H | 98.6 | Very high | 91.7 | Very high | 30 Ų | 30 | 76.1 Ų | 76.1 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.4 | 174.3 | 65.7 | -78.9 | 0 | 0 | 0 | 113.5 | N9 H23 F24 N25 V98 D99 | H7-N9 PolarHBondContact CD2-ND2 2.92Å; H7-N9 PolarHBondContact CD2-OD1 3.11Å; H7-H23 AromaticContact CG-CE1 3.88Å; H7-F24 CarbonylContact C-O 3.6Å; H7-F24 WeakPolarHBondContact CA-O 3.15Å; H7-F24 WeakPolarHBondContact CB-O 3.24Å; H7-N25 HydrophobicContact CB-CB 4.12Å; H7-V98 WeakPolarHBondContact O-CA 3.2Å; H7-D99 IonicContact CE1-OD2 3.65Å; H7-D99 PolarHBondContact N-O 2.83Å; H7-D99 PolarHBondContact ND1-O 3.11Å; H7-D99 PolarHBondContact O-N 2.84Å |
| 8 | V | 98.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 72.9 Ų | 72.9 | 4% | 0.042 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.7 | 169 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | F10 F24 L63 F65 L96 Q97 V98 | V8-F10 HydrophobicContact CG1-CE2 4.38Å; V8-F24 HydrophobicContact CB-CB 4.35Å; V8-F24 HydrophobicContact CB-CD1 4.47Å; V8-F24 HydrophobicContact CG2-CD1 4.36Å; V8-F24 PolarHBondContact N-O 2.87Å; V8-F24 PolarHBondContact O-N 2.7Å; V8-L63 HydrophobicContact CG2-CD2 4.08Å; V8-F65 HydrophobicContact CB-CE2 4.13Å; V8-F65 HydrophobicContact CB-CZ 4.11Å; V8-F65 HydrophobicContact CG1-CE2 3.82Å; V8-F65 HydrophobicContact CG1-CZ 4.21Å; V8-F65 HydrophobicContact CG2-CE2 4.23Å; V8-F65 HydrophobicContact CG2-CZ 4.35Å; V8-L96 HydrophobicContact CG1-CD1 3.69Å; V8-L96 HydrophobicContact CG1-CG 4.3Å; V8-Q97 CarbonylContact C-O 3.56Å; V8-Q97 WeakPolarHBondContact CA-O 3.39Å; V8-V98 HydrophobicContact CG1-CG2 4.17Å; V8-V98 HydrophobicContact CG2-CG1 4.38Å; V8-V98 HydrophobicContact CG2-CG2 4.15Å |
| 9 | N | 98.7 | Very high | 92.2 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 5% | 0.053 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.3 | 176.7 | -66 | -20.4 | 0 | 0 | 0 | 110.5 | H7 V20 F22 H23 L96 Q97 | H7-N9 PolarHBondContact CD2-ND2 2.92Å; H7-N9 PolarHBondContact CD2-OD1 3.11Å; N9-V20 HydrophobicContact CB-CG1 3.78Å; N9-V20 HydrophobicContact CB-CG2 4.33Å; N9-F22 WeakPolarHBondContact CA-O 3.31Å; N9-H23 PolarHBondContact OD1-ND1 3.38Å; N9-L96 WeakPolarHBondContact O-CA 3.06Å; N9-Q97 HydrophobicContact CB-CB 4.17Å; N9-Q97 PolarHBondContact N-O 2.8Å; N9-Q97 PolarHBondContact ND2-OE1 2.92Å; N9-Q97 PolarHBondContact O-N 3.48Å |
| 10 | F | 98.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 67.8 Ų | 67.8 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 94.2 | 160.2 | -70.4 | -104.9 | 0 | 0 | 0 | 107.3 | V8 A21 F22 F65 Y72 V93 L96 | V8-F10 HydrophobicContact CG1-CE2 4.38Å; F10-A21 PolarHBondContact O-N 3.35Å; F10-F22 HydrophobicContact CB-CB 4.11Å; F10-F22 HydrophobicContact CD2-CB 4.03Å; F10-F22 AromaticContact CD2-CD1 3.57Å; F10-F22 HydrophobicContact CD2-CD1 3.57Å; F10-F22 HydrophobicContact CD2-CE1 4.47Å; F10-F22 HydrophobicContact CD2-CG 4.18Å; F10-F22 AromaticContact CE2-CD1 3.71Å; F10-F22 HydrophobicContact CE2-CD1 3.71Å; F10-F22 HydrophobicContact CE2-CE1 4.24Å; F10-F22 HydrophobicContact CG-CB 4.31Å; F10-F22 HydrophobicContact CG-CD1 4.44Å; F10-F22 PolarHBondContact N-O 2.67Å; F10-F65 HydrophobicContact CE2-CB 4.29Å; F10-F65 HydrophobicContact CE2-CD1 4.14Å; F10-F65 HydrophobicContact CE2-CD2 4.04Å; F10-F65 HydrophobicContact CE2-CE1 4.47Å; F10-F65 HydrophobicContact CE2-CE2 4.38Å; F10-F65 AromaticContact CE2-CG 3.9Å; F10-F65 HydrophobicContact CE2-CG 3.9Å; F10-F65 HydrophobicContact CZ-CB 3.69Å; F10-F65 HydrophobicContact CZ-CD1 4.39Å; F10-F65 AromaticContact CZ-CD2 3.98Å; F10-F65 HydrophobicContact CZ-CD2 3.98Å; F10-F65 AromaticContact CZ-CG 3.78Å; F10-F65 HydrophobicContact CZ-CG 3.78Å; F10-Y72 AromaticContact CD1-CE1 3.89Å; F10-Y72 HydrophobicContact CD1-CE1 3.89Å; F10-Y72 HydrophobicContact CE1-CD1 4.37Å; F10-Y72 HydrophobicContact CE1-CE1 4.02Å; F10-Y72 HydrophobicContact CG-CE1 4.29Å; F10-Y72 HydrophobicContact CZ-CD1 4.46Å; F10-V93 HydrophobicContact CB-CG1 3.77Å; F10-V93 HydrophobicContact CB-CG2 4.02Å; F10-V93 HydrophobicContact CD1-CG1 4.07Å; F10-V93 HydrophobicContact CG-CG1 4.43Å; F10-L96 HydrophobicContact CD1-CD1 4.29Å; F10-L96 HydrophobicContact CD2-CD1 4.19Å; F10-L96 HydrophobicContact CE1-CD1 4.12Å; F10-L96 HydrophobicContact CE2-CD1 4.01Å; F10-L96 HydrophobicContact CG-CD1 4.31Å; F10-L96 HydrophobicContact CZ-CD1 3.97Å |
| 11 | A | 98.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 146.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T94 H95 | A11-T94 PolarHBondContact O-N 3.17Å; A11-H95 HydrophobicContact CB-CB 4.25Å; A11-H95 PolarHBondContact N-O 2.8Å; A11-H95 PolarHBondContact O-N 3.14Å |
| 12 | V | 97.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 22% | 0.218 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -83.8 | -14.5 | -179 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | D19 L88 M92 T94 | V12-D19 HydrophobicContact CB-CB 4.12Å; V12-D19 HydrophobicContact CG2-CB 3.98Å; V12-D19 PolarHBondContact N-O 3.48Å; V12-L88 HydrophobicContact CG2-CD1 4.32Å; V12-M92 WeakPolarHBondContact CA-O 3.39Å; V12-M92 HydrophobicContact CG1-CB 4.12Å; V12-M92 HydrophobicContact CG1-CE 3.9Å; V12-M92 WeakPolarHBondContact CG1-O 3.3Å; V12-M92 HydrophobicContact CG2-CB 4.08Å; V12-T94 PolarHBondContact O-OG1 3.45Å |
| 13 | G | 93.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -152.9 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 14 | Q | 90.2 | Very high | 95.9 | Very high | 141 Ų | 141 | 49.8 Ų | 49.8 | 66% | 0.659 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -84.6 | -25 | -179.2 | -170.7 | 177.6 | -17.7 | 0 | 0 | 112.7 | ||
| 15 | D | 90.1 | Very high | 96.1 | Very high | 131 Ų | 131 | 41 Ų | 41 | 70% | 0.701 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -71.4 | 147.2 | -174.5 | -53.3 | -55.6 | 0 | 0 | 0 | 112.1 | G17 A18 | D15-G17 PolarHBondContact O-N 3.29Å; D15-A18 WeakPolarHBondContact O-CB 3.37Å; D15-A18 PolarHBondContact O-N 2.9Å |
| 16 | D | 82.2 | Confident | 96.1 | Very high | 165 Ų | 165 | 34 Ų | 34 | 88% | 0.882 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.7 | -178.8 | -69.9 | -29.1 | 0 | 0 | 0 | 114.1 | ||
| 17 | G | 88.8 | Confident | 96.1 | Very high | 62 Ų | 62 | 36.1 Ų | 36.1 | 64% | 0.639 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D15 | D15-G17 PolarHBondContact O-N 3.29Š|
| 18 | A | 96 | Very high | 96 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | trans | -65 | 149.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D15 | D15-A18 WeakPolarHBondContact O-CB 3.37Å; D15-A18 PolarHBondContact O-N 2.9Å | ||
| 19 | D | 98.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -58.9 | 144.8 | 173.6 | -76.7 | -8.5 | 0 | 0 | 0 | 111.1 | V12 M39 Q40 S41 L88 | V12-D19 HydrophobicContact CB-CB 4.12Å; V12-D19 HydrophobicContact CG2-CB 3.98Å; V12-D19 PolarHBondContact N-O 3.48Å; D19-M39 WeakPolarHBondContact CB-O 3.42Å; D19-Q40 WeakPolarHBondContact OD1-CA 3.15Å; D19-S41 PolarHBondContact OD1-N 3.28Å; D19-S41 PolarHBondContact OD2-N 3.35Å; D19-L88 HydrophobicContact CB-CD1 4.29Å | ||
| 20 | V | 98.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 105.4 | 179.9 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | N9 F22 H23 T38 M39 | N9-V20 HydrophobicContact CB-CG1 3.78Å; N9-V20 HydrophobicContact CB-CG2 4.33Å; V20-F22 VanDerWaalsContact C-N 3.31Å; V20-F22 PolarHBondContact O-N 3.25Å; V20-H23 HydrophobicContact CG1-CB 3.88Å; V20-T38 CarbonylContact O-C 3.52Å; V20-T38 VanDerWaalsContact O-CA 3.25Å; V20-T38 WeakPolarHBondContact O-CA 3.44Å; V20-T38 VanDerWaalsContact O-CG2 3.31Å; V20-T38 WeakPolarHBondContact O-CG2 3.45Å; V20-M39 HydrophobicContact CB-CB 4.04Å; V20-M39 HydrophobicContact CG2-CB 4.39Å; V20-M39 PolarHBondContact N-O 3.32Å; V20-M39 PolarHBondContact O-N 2.91Å |
| 21 | A | 98.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | -39.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F10 T38 L88 V93 | F10-A21 PolarHBondContact O-N 3.35Å; A21-T38 PolarHBondContact O-OG1 3.18Å; A21-L88 HydrophobicContact CB-CB 4.01Å; A21-L88 HydrophobicContact CB-CD1 4.21Å; A21-V93 HydrophobicContact CB-CG2 3.54Å |
| 22 | F | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 116.2 | 176.7 | 176.4 | -144.5 | 0 | 0 | 0 | 111.3 | N9 F10 V20 F24 F36 F65 Y72 V74 Y84 | N9-F22 WeakPolarHBondContact CA-O 3.31Å; F10-F22 HydrophobicContact CB-CB 4.11Å; F10-F22 HydrophobicContact CD2-CB 4.03Å; F10-F22 AromaticContact CD2-CD1 3.57Å; F10-F22 HydrophobicContact CD2-CD1 3.57Å; F10-F22 HydrophobicContact CD2-CE1 4.47Å; F10-F22 HydrophobicContact CD2-CG 4.18Å; F10-F22 AromaticContact CE2-CD1 3.71Å; F10-F22 HydrophobicContact CE2-CD1 3.71Å; F10-F22 HydrophobicContact CE2-CE1 4.24Å; F10-F22 HydrophobicContact CG-CB 4.31Å; F10-F22 HydrophobicContact CG-CD1 4.44Å; F10-F22 PolarHBondContact N-O 2.67Å; V20-F22 VanDerWaalsContact C-N 3.31Å; V20-F22 PolarHBondContact O-N 3.25Å; F22-F24 HydrophobicContact CE1-CB 4.38Å; F22-F24 HydrophobicContact CE2-CB 4.34Å; F22-F24 HydrophobicContact CZ-CB 3.99Å; F22-F24 HydrophobicContact CZ-CD2 4.26Å; F22-F36 HydrophobicContact CE2-CB 4.14Å; F22-F36 AromaticContact CE2-CD1 3.8Å; F22-F36 HydrophobicContact CE2-CD1 3.8Å; F22-F36 HydrophobicContact CE2-CG 4.44Å; F22-F36 HydrophobicContact CZ-CD1 4.02Å; F22-F65 AromaticContact CE1-CD1 3.71Å; F22-F65 HydrophobicContact CE1-CD1 3.71Å; F22-F65 AromaticContact CE1-CE1 3.64Å; F22-F65 HydrophobicContact CE1-CE1 3.64Å; F22-F65 HydrophobicContact CZ-CE1 4.17Å; F22-Y72 HydrophobicContact CB-CD2 3.94Å; F22-Y72 HydrophobicContact CB-CE2 3.75Å; F22-Y72 HydrophobicContact CD1-CD1 4.09Å; F22-Y72 AromaticContact CD1-CD2 3.78Å; F22-Y72 HydrophobicContact CD1-CD2 3.78Å; F22-Y72 HydrophobicContact CD1-CE2 4.34Å; F22-Y72 AromaticContact CD1-CG 3.64Å; F22-Y72 HydrophobicContact CD1-CG 3.64Å; F22-Y72 HydrophobicContact CE1-CD2 4.49Å; F22-Y72 HydrophobicContact CE1-CG 4.09Å; F22-Y72 AromaticContact CG-CD2 3.94Å; F22-Y72 HydrophobicContact CG-CD2 3.94Å; F22-Y72 HydrophobicContact CG-CE2 4.28Å; F22-Y72 HydrophobicContact CG-CG 4.29Å; F22-V74 HydrophobicContact CE1-CG2 4.29Å; F22-V74 HydrophobicContact CZ-CG2 4Å; F22-Y84 HydrophobicContact CB-CD1 4.26Å; F22-Y84 HydrophobicContact CB-CE1 4.37Å; F22-Y84 AromaticContact CD2-CD1 3.2Å; F22-Y84 HydrophobicContact CD2-CD1 3.2Å; F22-Y84 HydrophobicContact CD2-CD2 4.49Å; F22-Y84 AromaticContact CD2-CE1 3.59Å; F22-Y84 HydrophobicContact CD2-CE1 3.59Å; F22-Y84 AromaticContact CD2-CG 3.71Å; F22-Y84 HydrophobicContact CD2-CG 3.71Å; F22-Y84 AromaticContact CE2-CD1 3.6Å; F22-Y84 HydrophobicContact CE2-CD1 3.6Å; F22-Y84 HydrophobicContact CE2-CD2 4.25Å; F22-Y84 HydrophobicContact CE2-CE1 4.27Å; F22-Y84 AromaticContact CE2-CG 3.57Å; F22-Y84 HydrophobicContact CE2-CG 3.57Å; F22-Y84 AromaticContact CG-CD1 3.84Å; F22-Y84 HydrophobicContact CG-CD1 3.84Å; F22-Y84 HydrophobicContact CG-CE1 4.29Å; F22-Y84 HydrophobicContact CZ-CD1 4.5Å; F22-Y84 HydrophobicContact CZ-CG 4.36Å |
| 23 | H | 98.9 | Very high | 94.5 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 7% | 0.069 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 112.4 | 172.9 | 177.5 | 66.4 | 0 | 0 | 0 | 109.3 | H7 N9 V20 N25 F36 N37 W44 | H7-H23 AromaticContact CG-CE1 3.88Å; N9-H23 PolarHBondContact OD1-ND1 3.38Å; V20-H23 HydrophobicContact CG1-CB 3.88Å; H23-N25 WeakPolarHBondContact NE2-CB 3.35Å; H23-N25 PolarHBondContact NE2-OD1 2.94Å; H23-F36 VanDerWaalsContact O-CA 3.27Å; H23-F36 WeakPolarHBondContact O-CA 3.43Å; H23-N37 WeakPolarHBondContact CB-O 3.34Å; H23-N37 PolarHBondContact N-O 2.84Å; H23-N37 PolarHBondContact O-N 2.89Å; H23-N37 VanDerWaalsContact O-N 3.12Å; H23-W44 HydrophobicContact CB-CH2 3.67Å; H23-W44 HydrophobicContact CB-CZ3 3.51Å; H23-W44 AromaticContact CD2-CH2 3.64Å; H23-W44 AromaticContact CD2-CZ3 3.84Å; H23-W44 AromaticContact CG-CH2 3.44Å; H23-W44 VanDerWaalsContact CG-CH2 3.44Å; H23-W44 AromaticContact CG-CZ3 3.71Å; H23-W44 AromaticContact ND1-CH2 3.75Å |
| 24 | F | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.7 | 173.1 | 174.7 | -95.5 | 0 | 0 | 0 | 109.4 | F6 H7 V8 F22 P26 V34 F36 F55 L63 F65 V74 F81 | F6-F24 HydrophobicContact CE2-CD1 4.5Å; F6-F24 HydrophobicContact CE2-CE1 4.12Å; F6-F24 HydrophobicContact CZ-CE1 4.41Å; H7-F24 CarbonylContact C-O 3.6Å; H7-F24 WeakPolarHBondContact CA-O 3.15Å; H7-F24 WeakPolarHBondContact CB-O 3.24Å; V8-F24 HydrophobicContact CB-CB 4.35Å; V8-F24 HydrophobicContact CB-CD1 4.47Å; V8-F24 HydrophobicContact CG2-CD1 4.36Å; V8-F24 PolarHBondContact N-O 2.87Å; V8-F24 PolarHBondContact O-N 2.7Å; F22-F24 HydrophobicContact CE1-CB 4.38Å; F22-F24 HydrophobicContact CE2-CB 4.34Å; F22-F24 HydrophobicContact CZ-CB 3.99Å; F22-F24 HydrophobicContact CZ-CD2 4.26Å; F24-P26 HydrophobicContact CD1-CG 4.11Å; F24-P26 HydrophobicContact CE1-CG 3.41Å; F24-P26 VanDerWaalsContact CE1-CG 3.41Å; F24-P26 HydrophobicContact CZ-CG 3.83Å; F24-V34 HydrophobicContact CD2-CG1 3.89Å; F24-V34 HydrophobicContact CE2-CG1 3.5Å; F24-V34 VanDerWaalsContact CE2-CG1 3.5Å; F24-V34 HydrophobicContact CZ-CG1 3.9Å; F24-F36 AromaticContact CD2-CD1 3.86Å; F24-F36 HydrophobicContact CD2-CD1 3.86Å; F24-F36 AromaticContact CD2-CE1 3.52Å; F24-F36 HydrophobicContact CD2-CE1 3.52Å; F24-F36 HydrophobicContact CE2-CD1 4.47Å; F24-F36 AromaticContact CE2-CE1 3.7Å; F24-F36 HydrophobicContact CE2-CE1 3.7Å; F24-F36 HydrophobicContact CE2-CZ 4.5Å; F24-F55 AromaticContact CE1-CE2 3.9Å; F24-F55 HydrophobicContact CE1-CE2 3.9Å; F24-F55 AromaticContact CE1-CZ 3.78Å; F24-F55 HydrophobicContact CE1-CZ 3.78Å; F24-F55 AromaticContact CZ-CE2 3.65Å; F24-F55 HydrophobicContact CZ-CE2 3.65Å; F24-F55 AromaticContact CZ-CZ 3.66Å; F24-F55 HydrophobicContact CZ-CZ 3.66Å; F24-L63 HydrophobicContact CD1-CD2 4.18Å; F24-L63 HydrophobicContact CE1-CD1 4.2Å; F24-L63 HydrophobicContact CE1-CD2 3.8Å; F24-L63 HydrophobicContact CZ-CD1 4.08Å; F24-L63 HydrophobicContact CZ-CD2 4.49Å; F24-F65 HydrophobicContact CB-CE1 4.05Å; F24-F65 HydrophobicContact CB-CZ 3.95Å; F24-F65 HydrophobicContact CD1-CE1 4.44Å; F24-F65 AromaticContact CD1-CZ 3.87Å; F24-F65 HydrophobicContact CD1-CZ 3.87Å; F24-F65 AromaticContact CD2-CE1 3.96Å; F24-F65 HydrophobicContact CD2-CE1 3.96Å; F24-F65 HydrophobicContact CD2-CZ 4.22Å; F24-F65 HydrophobicContact CE1-CZ 4.42Å; F24-F65 AromaticContact CG-CE1 3.9Å; F24-F65 HydrophobicContact CG-CE1 3.9Å; F24-F65 AromaticContact CG-CZ 3.75Å; F24-F65 HydrophobicContact CG-CZ 3.75Å; F24-V74 HydrophobicContact CD2-CG1 4.34Å; F24-V74 HydrophobicContact CD2-CG2 4.48Å; F24-V74 HydrophobicContact CE2-CG1 3.75Å; F24-V74 HydrophobicContact CZ-CG1 4.31Å; F24-F81 HydrophobicContact CE2-CD1 4.43Å; F24-F81 HydrophobicContact CE2-CE1 4.39Å |
| 25 | N | 98.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 91.5 | -169.8 | -178.8 | -144.4 | 0 | 0 | 0 | 113.9 | F6 H7 H23 R27 V35 | F6-N25 WeakPolarHBondContact O-CA 3.35Å; F6-N25 PolarHBondContact O-ND2 3.1Å; H7-N25 HydrophobicContact CB-CB 4.12Å; H23-N25 WeakPolarHBondContact NE2-CB 3.35Å; H23-N25 PolarHBondContact NE2-OD1 2.94Å; N25-R27 VanDerWaalsContact OD1-CZ 3.29Å; N25-R27 PolarHBondContact OD1-NE 2.61Å; N25-R27 PolarHBondContact OD1-NH2 3.18Å; N25-V35 PolarHBondContact N-O 3.44Å; N25-V35 PolarHBondContact O-N 2.8Å |
| 26 | P | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131.4 | 168.1 | -25.4 | 39.3 | 0 | 0 | 0 | 111.5 | R5 F6 F24 V34 M53 F55 | R5-P26 VanDerWaalsContact CA-O 3.25Å; R5-P26 WeakPolarHBondContact CA-O 3.27Å; R5-P26 VanDerWaalsContact CB-O 3.29Å; R5-P26 WeakPolarHBondContact CB-O 2.96Å; F6-P26 HydrophobicContact CD1-CB 4.27Å; F6-P26 HydrophobicContact CD1-CG 4.35Å; F6-P26 HydrophobicContact CD2-CG 4.47Å; F6-P26 HydrophobicContact CE1-CB 3.87Å; F6-P26 HydrophobicContact CE1-CG 3.77Å; F6-P26 HydrophobicContact CE2-CG 3.91Å; F6-P26 HydrophobicContact CZ-CB 4.19Å; F6-P26 HydrophobicContact CZ-CG 3.55Å; F6-P26 PolarHBondContact N-O 3.37Å; F6-P26 VanDerWaalsContact O-CD 3.25Å; F6-P26 WeakPolarHBondContact O-CD 3.25Å; F24-P26 HydrophobicContact CD1-CG 4.11Å; F24-P26 HydrophobicContact CE1-CG 3.41Å; F24-P26 VanDerWaalsContact CE1-CG 3.41Å; F24-P26 HydrophobicContact CZ-CG 3.83Å; P26-V34 HydrophobicContact CB-CG2 4.19Å; P26-V34 HydrophobicContact CG-CG1 4.24Å; P26-V34 HydrophobicContact CG-CG2 4.14Å; P26-M53 HydrophobicContact CB-CE 4.36Å; P26-M53 HydrophobicContact CB-SD 4.29Å; P26-F55 HydrophobicContact CB-CD2 3.82Å; P26-F55 HydrophobicContact CB-CE2 3.96Å; P26-F55 HydrophobicContact CG-CD2 3.7Å; P26-F55 HydrophobicContact CG-CE2 3.31Å; P26-F55 HydrophobicContact CG-CZ 4.19Å |
| 27 | R | 97.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.4 | 178.3 | -48.2 | -176 | -179.7 | 160.2 | 7.1 | 110.7 | R5 N25 D29 D32 K33 E47 M53 | R5-R27 HydrophobicContact CB-CG 4.4Å; N25-R27 VanDerWaalsContact OD1-CZ 3.29Å; N25-R27 PolarHBondContact OD1-NE 2.61Å; N25-R27 PolarHBondContact OD1-NH2 3.18Å; R27-D29 WeakPolarHBondContact CB-OD1 3.34Å; R27-D32 WeakPolarHBondContact O-CA 3.41Å; R27-K33 HydrophobicContact CB-CG 4.45Å; R27-K33 PolarHBondContact N-O 2.79Å; R27-K33 PolarHBondContact O-N 3.11Å; R27-K33 VanDerWaalsContact O-N 3.1Å; R27-E47 IonicContact NH1-OE1 3.6Å; R27-E47 IonicContact NH2-OE1 3.8Å; R27-M53 WeakPolarHBondContact O-CE 3.48Å |
| 28 | F | 95.5 | Very high | 96.9 | Very high | 23 Ų | 23 | 31.6 Ų | 31.6 | 10% | 0.101 | 17% | 0.168 | C | C | . | . | trans | -102.7 | 22.7 | 176.5 | -66.5 | -92.4 | 0 | 0 | 0 | 112.3 | M3 R4 D32 M53 F55 K57 | M3-F28 HydrophobicContact CE-CD2 3.99Å; M3-F28 HydrophobicContact CE-CE1 4.16Å; M3-F28 HydrophobicContact CE-CE2 3.12Å; M3-F28 HydrophobicContact CE-CZ 3.21Å; M3-F28 HydrophobicContact CG-CD2 3.89Å; M3-F28 HydrophobicContact CG-CE2 3.87Å; M3-F28 HydrophobicContact SD-CD2 4.23Å; M3-F28 HydrophobicContact SD-CE2 3.58Å; M3-F28 VanDerWaalsContact SD-CE2 3.58Å; M3-F28 HydrophobicContact SD-CZ 4.26Å; R4-F28 PolarHBondContact O-N 3.22Å; F28-D32 VanDerWaalsContact CA-OD1 3.32Å; F28-D32 WeakPolarHBondContact CA-OD1 3.42Å; F28-M53 HydrophobicContact CD1-CE 4.1Å; F28-M53 HydrophobicContact CD1-CG 4.39Å; F28-M53 HydrophobicContact CD2-CE 4.11Å; F28-M53 HydrophobicContact CE1-CE 3.94Å; F28-M53 HydrophobicContact CE1-CG 3.58Å; F28-M53 HydrophobicContact CE1-SD 3.85Å; F28-M53 HydrophobicContact CE2-CE 3.89Å; F28-M53 HydrophobicContact CE2-SD 3.92Å; F28-M53 HydrophobicContact CG-CE 4.2Å; F28-M53 HydrophobicContact CZ-CE 3.82Å; F28-M53 HydrophobicContact CZ-CG 3.77Å; F28-M53 HydrophobicContact CZ-SD 3.45Å; F28-M53 WeakPolarHBondContact CZ-SD 3.44Å; F28-F55 HydrophobicContact CZ-CB 4.01Å; F28-K57 VanDerWaalsContact CD1-CE 3.44Å; F28-K57 HydrophobicContact CD1-CG 4.38Å; F28-K57 HydrophobicContact CE1-CG 4.24Å | ||
| 29 | D | 88.4 | Confident | 97 | Very high | 86 Ų | 86 | 32.3 Ų | 32.3 | 46% | 0.46 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -97.2 | 122 | 178.9 | 62.2 | -11 | 0 | 0 | 0 | 111.4 | R27 W31 K33 | R27-D29 WeakPolarHBondContact CB-OD1 3.34Å; D29-W31 PolarHBondContact O-N 3.13Å; D29-W31 VanDerWaalsContact O-N 3.14Å; D29-K33 PolarHBondContact O-NZ 2.84Å; D29-K33 IonicContact OD1-NZ 2.69Å; D29-K33 PolarHBondContact OD1-NZ 2.83Å |
| 30 | G | 87 | Confident | 97 | Very high | 80 Ų | 80 | 35.8 Ų | 35.8 | 83% | 0.825 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 68.3 | -108.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 31 | W | 91 | Very high | 96.9 | Very high | 227 Ų | 227 | 40.2 Ų | 40.2 | 86% | 0.86 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -92.7 | 123.3 | 171.3 | -82.4 | 72.5 | 0 | 0 | 0 | 110.4 | D29 K33 | D29-W31 PolarHBondContact O-N 3.13Å; D29-W31 VanDerWaalsContact O-N 3.14Å; W31-K33 WeakPolarHBondContact O-CD 3.11Å; W31-K33 WeakPolarHBondContact O-CG 3.36Å; W31-K33 PolarHBondContact O-N 2.98Å; W31-K33 PolarHBondContact O-NZ 3.16Å |
| 32 | D | 97.1 | Very high | 96.7 | Very high | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | trans | -58.5 | 128.2 | 178.6 | -67.7 | -3.7 | 0 | 0 | 0 | 110.9 | R27 F28 M53 | R27-D32 WeakPolarHBondContact O-CA 3.41Å; F28-D32 VanDerWaalsContact CA-OD1 3.32Å; F28-D32 WeakPolarHBondContact CA-OD1 3.42Å; D32-M53 HydrophobicContact CB-CB 3.75Å; D32-M53 HydrophobicContact CB-CE 3.87Å; D32-M53 HydrophobicContact CB-CG 4.11Å | ||
| 33 | K | 98.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 49 Ų | 49 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 161 | -172.4 | 61.1 | -160.3 | 171.3 | -71.4 | 0 | 110.9 | R27 D29 W31 V35 K50 M53 | R27-K33 HydrophobicContact CB-CG 4.45Å; R27-K33 PolarHBondContact N-O 2.79Å; R27-K33 PolarHBondContact O-N 3.11Å; R27-K33 VanDerWaalsContact O-N 3.1Å; D29-K33 PolarHBondContact O-NZ 2.84Å; D29-K33 IonicContact OD1-NZ 2.69Å; D29-K33 PolarHBondContact OD1-NZ 2.83Å; W31-K33 WeakPolarHBondContact O-CD 3.11Å; W31-K33 WeakPolarHBondContact O-CG 3.36Å; W31-K33 PolarHBondContact O-N 2.98Å; W31-K33 PolarHBondContact O-NZ 3.16Å; K33-V35 HydrophobicContact CG-CG2 4.47Å; K33-K50 WeakPolarHBondContact CA-O 3.29Å; K33-M53 VanDerWaalsContact O-CE 3.29Å; K33-M53 WeakPolarHBondContact O-CE 3.32Å |
| 34 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.4 | 165 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | F24 P26 F36 K49 K50 F55 F81 | F24-V34 HydrophobicContact CD2-CG1 3.89Å; F24-V34 HydrophobicContact CE2-CG1 3.5Å; F24-V34 VanDerWaalsContact CE2-CG1 3.5Å; F24-V34 HydrophobicContact CZ-CG1 3.9Å; P26-V34 HydrophobicContact CB-CG2 4.19Å; P26-V34 HydrophobicContact CG-CG1 4.24Å; P26-V34 HydrophobicContact CG-CG2 4.14Å; V34-F36 HydrophobicContact CB-CE1 4.47Å; V34-F36 HydrophobicContact CB-CE2 4.31Å; V34-F36 HydrophobicContact CB-CZ 3.95Å; V34-F36 HydrophobicContact CG1-CD1 4.22Å; V34-F36 HydrophobicContact CG1-CE1 3.59Å; V34-F36 HydrophobicContact CG1-CE2 4.16Å; V34-F36 HydrophobicContact CG1-CZ 3.56Å; V34-K49 WeakPolarHBondContact O-CA 3.48Å; V34-K50 PolarHBondContact N-O 3.13Å; V34-K50 PolarHBondContact O-N 2.96Å; V34-F55 HydrophobicContact CG2-CE2 4.49Å; V34-F81 HydrophobicContact CB-CE1 3.79Å; V34-F81 HydrophobicContact CB-CZ 3.95Å; V34-F81 HydrophobicContact CG1-CE1 4.08Å; V34-F81 HydrophobicContact CG2-CE1 3.65Å; V34-F81 HydrophobicContact CG2-CZ 3.54Å |
| 35 | V | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.5 | 175.7 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | N25 K33 E47 E48 K49 | N25-V35 PolarHBondContact N-O 3.44Å; N25-V35 PolarHBondContact O-N 2.8Å; K33-V35 HydrophobicContact CG-CG2 4.47Å; V35-E47 HydrophobicContact CG1-CB 4.33Å; V35-E47 HydrophobicContact CG1-CG 4.02Å; V35-E48 WeakPolarHBondContact CA-O 3.25Å; V35-K49 HydrophobicContact CG2-CB 4.48Å |
| 36 | F | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133 | 177.1 | -43.9 | -88 | 0 | 0 | 0 | 109.2 | F22 H23 F24 V34 E48 K50 F81 Y82 Y84 | F22-F36 HydrophobicContact CE2-CB 4.14Å; F22-F36 AromaticContact CE2-CD1 3.8Å; F22-F36 HydrophobicContact CE2-CD1 3.8Å; F22-F36 HydrophobicContact CE2-CG 4.44Å; F22-F36 HydrophobicContact CZ-CD1 4.02Å; H23-F36 VanDerWaalsContact O-CA 3.27Å; H23-F36 WeakPolarHBondContact O-CA 3.43Å; F24-F36 AromaticContact CD2-CD1 3.86Å; F24-F36 HydrophobicContact CD2-CD1 3.86Å; F24-F36 AromaticContact CD2-CE1 3.52Å; F24-F36 HydrophobicContact CD2-CE1 3.52Å; F24-F36 HydrophobicContact CE2-CD1 4.47Å; F24-F36 AromaticContact CE2-CE1 3.7Å; F24-F36 HydrophobicContact CE2-CE1 3.7Å; F24-F36 HydrophobicContact CE2-CZ 4.5Å; V34-F36 HydrophobicContact CB-CE1 4.47Å; V34-F36 HydrophobicContact CB-CE2 4.31Å; V34-F36 HydrophobicContact CB-CZ 3.95Å; V34-F36 HydrophobicContact CG1-CD1 4.22Å; V34-F36 HydrophobicContact CG1-CE1 3.59Å; V34-F36 HydrophobicContact CG1-CE2 4.16Å; V34-F36 HydrophobicContact CG1-CZ 3.56Å; F36-E48 HydrophobicContact CB-CB 4.14Å; F36-E48 HydrophobicContact CD2-CB 4.27Å; F36-E48 PolarHBondContact N-O 3.37Å; F36-E48 PolarHBondContact O-N 3.23Å; F36-K50 HydrophobicContact CE2-CB 3.99Å; F36-K50 HydrophobicContact CZ-CB 4.47Å; F36-F81 HydrophobicContact CE1-CE1 4.38Å; F36-F81 HydrophobicContact CZ-CD1 4.25Å; F36-F81 AromaticContact CZ-CE1 3.72Å; F36-F81 HydrophobicContact CZ-CE1 3.72Å; F36-Y82 HydrophobicContact CB-CE1 4.47Å; F36-Y82 AromaticContact CD1-CD1 3.93Å; F36-Y82 HydrophobicContact CD1-CD1 3.93Å; F36-Y82 HydrophobicContact CD1-CE1 4.36Å; F36-Y82 AromaticContact CD2-CD1 3.7Å; F36-Y82 HydrophobicContact CD2-CD1 3.7Å; F36-Y82 AromaticContact CD2-CE1 3.43Å; F36-Y82 HydrophobicContact CD2-CE1 3.43Å; F36-Y82 VanDerWaalsContact CD2-CE1 3.43Å; F36-Y82 HydrophobicContact CD2-CE2 4.46Å; F36-Y82 HydrophobicContact CD2-CG 4.3Å; F36-Y82 AromaticContact CD2-CZ 3.85Å; F36-Y82 AromaticContact CE1-CD1 3.67Å; F36-Y82 HydrophobicContact CE1-CD1 3.67Å; F36-Y82 HydrophobicContact CE1-CE1 4.41Å; F36-Y82 AromaticContact CE1-CG 3.91Å; F36-Y82 HydrophobicContact CE1-CG 3.91Å; F36-Y82 AromaticContact CE2-CD1 3.48Å; F36-Y82 HydrophobicContact CE2-CD1 3.48Å; F36-Y82 VanDerWaalsContact CE2-CD1 3.48Å; F36-Y82 AromaticContact CE2-CD2 3.83Å; F36-Y82 HydrophobicContact CE2-CD2 3.83Å; F36-Y82 AromaticContact CE2-CE1 3.56Å; F36-Y82 HydrophobicContact CE2-CE1 3.56Å; F36-Y82 AromaticContact CE2-CE2 3.91Å; F36-Y82 HydrophobicContact CE2-CE2 3.91Å; F36-Y82 AromaticContact CE2-CG 3.61Å; F36-Y82 HydrophobicContact CE2-CG 3.61Å; F36-Y82 AromaticContact CE2-CZ 3.76Å; F36-Y82 AromaticContact CG-CD1 3.9Å; F36-Y82 HydrophobicContact CG-CD1 3.9Å; F36-Y82 AromaticContact CG-CE1 3.86Å; F36-Y82 HydrophobicContact CG-CE1 3.86Å; F36-Y82 AromaticContact CZ-CD1 3.44Å; F36-Y82 HydrophobicContact CZ-CD1 3.44Å; F36-Y82 VanDerWaalsContact CZ-CD1 3.44Å; F36-Y82 AromaticContact CZ-CD2 3.92Å; F36-Y82 HydrophobicContact CZ-CD2 3.92Å; F36-Y82 HydrophobicContact CZ-CE1 4.04Å; F36-Y82 HydrophobicContact CZ-CE2 4.45Å; F36-Y82 AromaticContact CZ-CG 3.36Å; F36-Y82 HydrophobicContact CZ-CG 3.36Å; F36-Y84 HydrophobicContact CB-CD2 3.61Å; F36-Y84 HydrophobicContact CB-CE2 3.76Å; F36-Y84 HydrophobicContact CB-CG 4.39Å; F36-Y84 HydrophobicContact CG-CD2 4.42Å |
| 37 | N | 98.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 176.2 | 177.4 | -147.8 | -11.5 | 0 | 0 | 0 | 112.7 | H23 W44 G45 K46 Y84 R87 | H23-N37 WeakPolarHBondContact CB-O 3.34Å; H23-N37 PolarHBondContact N-O 2.84Å; H23-N37 PolarHBondContact O-N 2.89Å; H23-N37 VanDerWaalsContact O-N 3.12Å; N37-W44 HydrophobicContact CB-CE3 3.81Å; N37-W44 HydrophobicContact CB-CZ3 4.04Å; N37-G45 PolarHBondContact ND2-O 3.31Å; N37-G45 WeakPolarHBondContact OD1-CA 3.17Å; N37-G45 PolarHBondContact OD1-N 2.87Å; N37-G45 PolarHBondContact OD1-O 2.93Å; N37-K46 PolarHBondContact OD1-O 3.35Å; N37-Y84 WeakPolarHBondContact CA-OH 3.29Å; N37-Y84 PolarHBondContact O-OH 2.75Å; N37-R87 PolarHBondContact OD1-NH1 2.79Å |
| 38 | T | 98.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 69 Ų | 69 | 4% | 0.037 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.2 | 171.2 | -64.4 | 0 | 0 | 0 | 0 | 107.5 | V20 A21 G45 Y84 R87 L88 | V20-T38 CarbonylContact O-C 3.52Å; V20-T38 VanDerWaalsContact O-CA 3.25Å; V20-T38 WeakPolarHBondContact O-CA 3.44Å; V20-T38 VanDerWaalsContact O-CG2 3.31Å; V20-T38 WeakPolarHBondContact O-CG2 3.45Å; A21-T38 PolarHBondContact O-OG1 3.18Å; T38-G45 PolarHBondContact O-N 2.97Å; T38-Y84 PolarHBondContact N-OH 3.23Å; T38-Y84 PolarHBondContact OG1-OH 3.05Å; T38-R87 HydrophobicContact CG2-CB 4.19Å; T38-R87 WeakPolarHBondContact OG1-CB 3.25Å; T38-L88 HydrophobicContact CG2-CD1 4.04Å; T38-L88 HydrophobicContact CG2-CG 3.9Å |
| 39 | M | 98.6 | Very high | 96.8 | Very high | 33 Ų | 33 | 73.8 Ų | 73.8 | 16% | 0.163 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.2 | 165.2 | -176.9 | -177.4 | -70.5 | 0 | 0 | 108.5 | D19 V20 Q43 W44 | D19-M39 WeakPolarHBondContact CB-O 3.42Å; V20-M39 HydrophobicContact CB-CB 4.04Å; V20-M39 HydrophobicContact CG2-CB 4.39Å; V20-M39 PolarHBondContact N-O 3.32Å; V20-M39 PolarHBondContact O-N 2.91Å; M39-Q43 VanDerWaalsContact CA-O 3.32Å; M39-Q43 WeakPolarHBondContact CA-O 3.25Å; M39-W44 HydrophobicContact CB-CD2 4.18Å; M39-W44 HydrophobicContact CB-CE3 3.87Å; M39-W44 HydrophobicContact CB-CH2 4.26Å; M39-W44 HydrophobicContact CB-CZ3 3.9Å; M39-W44 HydrophobicContact CE-CD2 3.85Å; M39-W44 HydrophobicContact CE-CG 4.2Å; M39-W44 HydrophobicContact CE-CH2 4.25Å; M39-W44 HydrophobicContact CE-CZ2 3.48Å; M39-W44 VanDerWaalsContact CE-CZ2 3.48Å |
| 40 | Q | 97.8 | Very high | 97.3 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 131.5 | 174.4 | -171.5 | 177.5 | 22.2 | 0 | 0 | 109.7 | D19 G42 Q43 L88 | D19-Q40 WeakPolarHBondContact OD1-CA 3.15Å; Q40-G42 PolarHBondContact O-N 3.1Å; Q40-Q43 PolarHBondContact N-O 2.88Å; Q40-Q43 PolarHBondContact O-N 3.37Å; Q40-L88 HydrophobicContact CG-CD2 4.17Å |
| 41 | S | 96.4 | Very high | 97.7 | Very high | 101 Ų | 101 | 77.2 Ų | 77.2 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 41.6 | -175.1 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | D19 Q43 | D19-S41 PolarHBondContact OD1-N 3.28Å; D19-S41 PolarHBondContact OD2-N 3.35Å; S41-Q43 PolarHBondContact O-N 2.85Å |
| 42 | G | 95.6 | Very high | 98 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 7.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q40 | Q40-G42 PolarHBondContact O-N 3.1Š|
| 43 | Q | 97.9 | Very high | 98 | Very high | 145 Ų | 145 | 67.7 Ų | 67.7 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.1 | 179.9 | -61.6 | -58.8 | -47.4 | 0 | 0 | 111.5 | M39 Q40 S41 | M39-Q43 VanDerWaalsContact CA-O 3.32Å; M39-Q43 WeakPolarHBondContact CA-O 3.25Å; Q40-Q43 PolarHBondContact N-O 2.88Å; Q40-Q43 PolarHBondContact O-N 3.37Å; S41-Q43 PolarHBondContact O-N 2.85Å |
| 44 | W | 98.5 | Very high | 98 | Very high | 120 Ų | 120 | 67.3 Ų | 67.3 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 132.6 | 172 | -73.4 | 109.3 | 0 | 0 | 0 | 110.9 | H23 N37 M39 | H23-W44 HydrophobicContact CB-CH2 3.67Å; H23-W44 HydrophobicContact CB-CZ3 3.51Å; H23-W44 AromaticContact CD2-CH2 3.64Å; H23-W44 AromaticContact CD2-CZ3 3.84Å; H23-W44 AromaticContact CG-CH2 3.44Å; H23-W44 VanDerWaalsContact CG-CH2 3.44Å; H23-W44 AromaticContact CG-CZ3 3.71Å; H23-W44 AromaticContact ND1-CH2 3.75Å; N37-W44 HydrophobicContact CB-CE3 3.81Å; N37-W44 HydrophobicContact CB-CZ3 4.04Å; M39-W44 HydrophobicContact CB-CD2 4.18Å; M39-W44 HydrophobicContact CB-CE3 3.87Å; M39-W44 HydrophobicContact CB-CH2 4.26Å; M39-W44 HydrophobicContact CB-CZ3 3.9Å; M39-W44 HydrophobicContact CE-CD2 3.85Å; M39-W44 HydrophobicContact CE-CG 4.2Å; M39-W44 HydrophobicContact CE-CH2 4.25Å; M39-W44 HydrophobicContact CE-CZ2 3.48Å; M39-W44 VanDerWaalsContact CE-CZ2 3.48Å |
| 45 | G | 98.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 67.6 Ų | 67.6 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | trans | -75.6 | -164.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N37 T38 E47 | N37-G45 PolarHBondContact ND2-O 3.31Å; N37-G45 WeakPolarHBondContact OD1-CA 3.17Å; N37-G45 PolarHBondContact OD1-N 2.87Å; N37-G45 PolarHBondContact OD1-O 2.93Å; T38-G45 PolarHBondContact O-N 2.97Å; G45-E47 PolarHBondContact O-N 3.06Å | ||
| 46 | K | 98.4 | Very high | 97.8 | Very high | 177 Ų | 177 | 74 Ų | 74 | 77% | 0.77 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 118.5 | 175.5 | -175.8 | -178.9 | 178.6 | -177.8 | 0 | 110.7 | N37 E48 R87 | N37-K46 PolarHBondContact OD1-O 3.35Å; K46-E48 PolarHBondContact O-N 3.48Å; K46-R87 VanDerWaalsContact O-CZ 3.3Å; K46-R87 PolarHBondContact O-NH1 3.45Å; K46-R87 PolarHBondContact O-NH2 2.87Å |
| 47 | E | 98.4 | Very high | 97.6 | Very high | 94 Ų | 94 | 78.8 Ų | 78.8 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 131.6 | 175.3 | -71.1 | -169.6 | 154 | 0 | 0 | 111.6 | R27 V35 G45 | R27-E47 IonicContact NH1-OE1 3.6Å; R27-E47 IonicContact NH2-OE1 3.8Å; V35-E47 HydrophobicContact CG1-CB 4.33Å; V35-E47 HydrophobicContact CG1-CG 4.02Å; G45-E47 PolarHBondContact O-N 3.06Å |
| 48 | E | 98.7 | Very high | 97.4 | Very high | 55 Ų | 55 | 80.6 Ų | 80.6 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 146.8 | 157.6 | -77.8 | 169.6 | -129.1 | 0 | 0 | 108.6 | V35 F36 K46 Y82 Y84 R87 | V35-E48 WeakPolarHBondContact CA-O 3.25Å; F36-E48 HydrophobicContact CB-CB 4.14Å; F36-E48 HydrophobicContact CD2-CB 4.27Å; F36-E48 PolarHBondContact N-O 3.37Å; F36-E48 PolarHBondContact O-N 3.23Å; K46-E48 PolarHBondContact O-N 3.48Å; E48-Y82 PolarHBondContact OE2-OH 2.94Å; E48-Y82 VanDerWaalsContact OE2-OH 3.11Å; E48-Y84 HydrophobicContact CB-CE2 4.46Å; E48-Y84 WeakPolarHBondContact OE1-CE2 3.36Å; E48-R87 IonicContact OE1-CZ 3.89Å; E48-R87 IonicContact OE1-NE 3.83Å; E48-R87 IonicContact OE1-NH2 3.82Å; E48-R87 PolarHBondContact OE1-NH2 2.94Å |
| 49 | K | 98.1 | Very high | 97.2 | Very high | 124 Ų | 124 | 86.8 Ų | 86.8 | 54% | 0.539 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 137.7 | 179.5 | 63.7 | -168.6 | 172.3 | -165.3 | 0 | 112 | V34 V35 | V34-K49 WeakPolarHBondContact O-CA 3.48Å; V35-K49 HydrophobicContact CG2-CB 4.48Å |
| 50 | K | 98.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 91.8 Ų | 91.8 | 28% | 0.283 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.4 | 168.5 | -169.1 | 173.7 | -178.4 | -177 | 0 | 108.9 | K33 V34 F36 S52 F81 Y82 | K33-K50 WeakPolarHBondContact CA-O 3.29Å; V34-K50 PolarHBondContact N-O 3.13Å; V34-K50 PolarHBondContact O-N 2.96Å; F36-K50 HydrophobicContact CE2-CB 3.99Å; F36-K50 HydrophobicContact CZ-CB 4.47Å; K50-S52 PolarHBondContact O-N 3.23Å; K50-F81 HydrophobicContact CB-CZ 4.31Å; K50-F81 HydrophobicContact CD-CD2 4.25Å; K50-F81 HydrophobicContact CD-CE1 4.29Å; K50-F81 HydrophobicContact CD-CE2 3.75Å; K50-F81 HydrophobicContact CD-CZ 3.77Å; K50-F81 HydrophobicContact CG-CZ 4.33Å; K50-F81 PolarHBondContact NZ-O 2.95Å; K50-Y82 HydrophobicContact CB-CD2 4.27Å; K50-Y82 HydrophobicContact CB-CE2 4.26Å; K50-Y82 HydrophobicContact CD-CD2 3.99Å |
| 51 | K | 96.4 | Very high | 97.2 | Very high | 173 Ų | 173 | 89.1 Ų | 89.1 | 75% | 0.752 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -79.8 | 54.2 | 176.2 | -63.9 | -175.7 | 179.6 | -178.2 | 0 | 111.1 | ||
| 52 | S | 96.3 | Very high | 97.3 | Very high | 56 Ų | 56 | 89.6 Ų | 89.6 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | trans | -148 | 139.9 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 107.2 | K50 | K50-S52 PolarHBondContact O-N 3.23Š| ||
| 53 | M | 97.9 | Very high | 97.4 | Very high | 40 Ų | 40 | 89.5 Ų | 89.5 | 20% | 0.197 | 43% | 0.433 | C | S | . | . | trans | -117.3 | 108.6 | -176.8 | -177.5 | 56.5 | 75.7 | 0 | 0 | 109.7 | P26 R27 F28 D32 K33 F55 | P26-M53 HydrophobicContact CB-CE 4.36Å; P26-M53 HydrophobicContact CB-SD 4.29Å; R27-M53 WeakPolarHBondContact O-CE 3.48Å; F28-M53 HydrophobicContact CD1-CE 4.1Å; F28-M53 HydrophobicContact CD1-CG 4.39Å; F28-M53 HydrophobicContact CD2-CE 4.11Å; F28-M53 HydrophobicContact CE1-CE 3.94Å; F28-M53 HydrophobicContact CE1-CG 3.58Å; F28-M53 HydrophobicContact CE1-SD 3.85Å; F28-M53 HydrophobicContact CE2-CE 3.89Å; F28-M53 HydrophobicContact CE2-SD 3.92Å; F28-M53 HydrophobicContact CG-CE 4.2Å; F28-M53 HydrophobicContact CZ-CE 3.82Å; F28-M53 HydrophobicContact CZ-CG 3.77Å; F28-M53 HydrophobicContact CZ-SD 3.45Å; F28-M53 WeakPolarHBondContact CZ-SD 3.44Å; D32-M53 HydrophobicContact CB-CB 3.75Å; D32-M53 HydrophobicContact CB-CE 3.87Å; D32-M53 HydrophobicContact CB-CG 4.11Å; K33-M53 VanDerWaalsContact O-CE 3.29Å; K33-M53 WeakPolarHBondContact O-CE 3.32Å; M53-F55 VanDerWaalsContact C-N 3.3Å; M53-F55 WeakPolarHBondContact CG-O 3.39Å; M53-F55 HydrophobicContact SD-CB 4.11Å; M53-F55 HydrophobicContact SD-CD2 3.87Å | ||
| 54 | P | 98 | Very high | 97.5 | Very high | 32 Ų | 32 | 85.2 Ų | 85.2 | 21% | 0.208 | 42% | 0.416 | C | S | . | . | trans | -86.6 | -4.6 | -179.2 | 36.6 | -35.4 | 0 | 0 | 0 | 112.6 | V76 F81 | P54-V76 HydrophobicContact CB-CB 3.88Å; P54-V76 HydrophobicContact CB-CG1 3.82Å; P54-V76 HydrophobicContact CB-CG2 4.17Å; P54-V76 HydrophobicContact CG-CB 4.14Å; P54-V76 HydrophobicContact CG-CG1 4.1Å; P54-V76 HydrophobicContact CG-CG2 3.88Å; P54-F81 HydrophobicContact CB-CD2 3.9Å; P54-F81 HydrophobicContact CB-CE2 3.92Å; P54-F81 HydrophobicContact CG-CD1 4.39Å; P54-F81 HydrophobicContact CG-CD2 3.75Å; P54-F81 HydrophobicContact CG-CE1 4.15Å; P54-F81 HydrophobicContact CG-CE2 3.52Å; P54-F81 HydrophobicContact CG-CG 4.2Å; P54-F81 HydrophobicContact CG-CZ 3.74Å | ||
| 55 | F | 97.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | trans | -103.9 | 149.4 | -179.6 | -53.2 | -75.4 | 0 | 0 | 0 | 111 | F6 F24 P26 F28 V34 M53 F61 L63 V76 | F6-F55 HydrophobicContact CE1-CD1 4.39Å; F6-F55 HydrophobicContact CE1-CD2 4.18Å; F6-F55 HydrophobicContact CE1-CE2 4.42Å; F6-F55 HydrophobicContact CE1-CG 4.18Å; F6-F55 HydrophobicContact CZ-CD1 4.09Å; F6-F55 HydrophobicContact CZ-CD2 4.08Å; F6-F55 AromaticContact CZ-CE1 3.87Å; F6-F55 HydrophobicContact CZ-CE1 3.87Å; F6-F55 AromaticContact CZ-CE2 3.88Å; F6-F55 HydrophobicContact CZ-CE2 3.88Å; F6-F55 HydrophobicContact CZ-CG 4.19Å; F6-F55 AromaticContact CZ-CZ 3.77Å; F6-F55 HydrophobicContact CZ-CZ 3.77Å; F24-F55 AromaticContact CE1-CE2 3.9Å; F24-F55 HydrophobicContact CE1-CE2 3.9Å; F24-F55 AromaticContact CE1-CZ 3.78Å; F24-F55 HydrophobicContact CE1-CZ 3.78Å; F24-F55 AromaticContact CZ-CE2 3.65Å; F24-F55 HydrophobicContact CZ-CE2 3.65Å; F24-F55 AromaticContact CZ-CZ 3.66Å; F24-F55 HydrophobicContact CZ-CZ 3.66Å; P26-F55 HydrophobicContact CB-CD2 3.82Å; P26-F55 HydrophobicContact CB-CE2 3.96Å; P26-F55 HydrophobicContact CG-CD2 3.7Å; P26-F55 HydrophobicContact CG-CE2 3.31Å; P26-F55 HydrophobicContact CG-CZ 4.19Å; F28-F55 HydrophobicContact CZ-CB 4.01Å; V34-F55 HydrophobicContact CG2-CE2 4.49Å; M53-F55 VanDerWaalsContact C-N 3.3Å; M53-F55 WeakPolarHBondContact CG-O 3.39Å; M53-F55 HydrophobicContact SD-CB 4.11Å; M53-F55 HydrophobicContact SD-CD2 3.87Å; F55-F61 HydrophobicContact CD1-CB 3.97Å; F55-F61 AromaticContact CD1-CD1 3.84Å; F55-F61 HydrophobicContact CD1-CD1 3.84Å; F55-F61 AromaticContact CD1-CD2 3.99Å; F55-F61 HydrophobicContact CD1-CD2 3.99Å; F55-F61 HydrophobicContact CD1-CE1 4.32Å; F55-F61 HydrophobicContact CD1-CE2 4.45Å; F55-F61 AromaticContact CD1-CG 3.66Å; F55-F61 HydrophobicContact CD1-CG 3.66Å; F55-F61 HydrophobicContact CE1-CB 4.24Å; F55-F61 HydrophobicContact CE1-CD1 4.29Å; F55-F61 AromaticContact CE1-CD2 3.61Å; F55-F61 HydrophobicContact CE1-CD2 3.61Å; F55-F61 AromaticContact CE1-CE2 3.96Å; F55-F61 HydrophobicContact CE1-CE2 3.96Å; F55-F61 AromaticContact CE1-CG 3.78Å; F55-F61 HydrophobicContact CE1-CG 3.78Å; F55-F61 HydrophobicContact CE1-CZ 4.43Å; F55-L63 HydrophobicContact CZ-CD1 4.34Å; F55-V76 HydrophobicContact CD1-CG1 4.06Å; F55-V76 HydrophobicContact CE1-CG1 3.55Å; F55-V76 HydrophobicContact CE1-CG2 4.33Å; F55-V76 HydrophobicContact CZ-CG1 3.95Å; F55-V76 HydrophobicContact CZ-CG2 3.9Å | ||
| 56 | Q | 95.9 | Very high | 97.5 | Very high | 134 Ų | 134 | 83 Ų | 83 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | trans | -123.9 | 139.5 | 173.9 | -65.1 | 179.2 | 35.3 | 0 | 0 | 109 | G58 K59 | Q56-G58 PolarHBondContact O-N 2.91Å; Q56-K59 HydrophobicContact CB-CB 3.98Å; Q56-K59 HydrophobicContact CB-CG 3.72Å; Q56-K59 PolarHBondContact O-N 2.92Å | ||
| 57 | K | 94.6 | Very high | 97.4 | Very high | 101 Ų | 101 | 78.4 Ų | 78.4 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 133.9 | 175.6 | -55 | -173.8 | -175.2 | -172 | 0 | 109.3 | M3 F28 K59 | M3-K57 HydrophobicContact CB-CG 4.3Å; M3-K57 HydrophobicContact CE-CB 4.46Å; M3-K57 HydrophobicContact CE-CG 3.94Å; M3-K57 WeakPolarHBondContact O-CE 3.47Å; M3-K57 PolarHBondContact O-NZ 3.42Å; M3-K57 VanDerWaalsContact O-NZ 3.11Å; F28-K57 VanDerWaalsContact CD1-CE 3.44Å; F28-K57 HydrophobicContact CD1-CG 4.38Å; F28-K57 HydrophobicContact CE1-CG 4.24Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 3.05Å |
| 58 | G | 94.1 | Very high | 97.4 | Very high | 42 Ų | 42 | 77.6 Ų | 77.6 | 43% | 0.433 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 17.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E1 Q56 | E1-G58 VanDerWaalsContact OE1-CA 3.27Å; E1-G58 WeakPolarHBondContact OE1-CA 3.34Å; E1-G58 WeakPolarHBondContact OE2-CA 3.47Å; E1-G58 PolarHBondContact OE2-N 3.02Å; Q56-G58 PolarHBondContact O-N 2.91Å |
| 59 | K | 96.3 | Very high | 97.4 | Very high | 136 Ų | 136 | 80.9 Ų | 80.9 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | trans | -122.4 | 136.9 | -179.8 | -62.7 | -63.4 | -176.6 | -178.5 | 0 | 110.9 | Q56 K57 | Q56-K59 HydrophobicContact CB-CB 3.98Å; Q56-K59 HydrophobicContact CB-CG 3.72Å; Q56-K59 PolarHBondContact O-N 2.92Å; K57-K59 VanDerWaalsContact C-N 3.31Å; K57-K59 PolarHBondContact O-N 3.05Å | ||
| 60 | H | 97.1 | Very high | 97.4 | Very high | 138 Ų | 138 | 82.4 Ų | 82.4 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | trans | -58.1 | 145.7 | 166.8 | 177.9 | -85.4 | 0 | 0 | 0 | 110.2 | ||||
| 61 | F | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 80.8 Ų | 80.8 | 23% | 0.228 | 41% | 0.413 | C | S | . | . | trans | -139.7 | 153 | 172.5 | 64 | -96.1 | 0 | 0 | 0 | 111.1 | F6 F55 L63 N77 L102 | F6-F61 HydrophobicContact CE1-CZ 4.49Å; F6-F61 HydrophobicContact CE2-CZ 4.3Å; F6-F61 HydrophobicContact CZ-CE1 4.35Å; F6-F61 HydrophobicContact CZ-CE2 4.44Å; F6-F61 AromaticContact CZ-CZ 3.93Å; F6-F61 HydrophobicContact CZ-CZ 3.93Å; F55-F61 HydrophobicContact CD1-CB 3.97Å; F55-F61 AromaticContact CD1-CD1 3.84Å; F55-F61 HydrophobicContact CD1-CD1 3.84Å; F55-F61 AromaticContact CD1-CD2 3.99Å; F55-F61 HydrophobicContact CD1-CD2 3.99Å; F55-F61 HydrophobicContact CD1-CE1 4.32Å; F55-F61 HydrophobicContact CD1-CE2 4.45Å; F55-F61 AromaticContact CD1-CG 3.66Å; F55-F61 HydrophobicContact CD1-CG 3.66Å; F55-F61 HydrophobicContact CE1-CB 4.24Å; F55-F61 HydrophobicContact CE1-CD1 4.29Å; F55-F61 AromaticContact CE1-CD2 3.61Å; F55-F61 HydrophobicContact CE1-CD2 3.61Å; F55-F61 AromaticContact CE1-CE2 3.96Å; F55-F61 HydrophobicContact CE1-CE2 3.96Å; F55-F61 AromaticContact CE1-CG 3.78Å; F55-F61 HydrophobicContact CE1-CG 3.78Å; F55-F61 HydrophobicContact CE1-CZ 4.43Å; F61-L63 HydrophobicContact CD2-CB 3.89Å; F61-L63 HydrophobicContact CE2-CB 3.86Å; F61-L63 HydrophobicContact CE2-CD2 4.37Å; F61-N77 VanDerWaalsContact CA-OD1 3.24Å; F61-N77 WeakPolarHBondContact CA-OD1 3.44Å; F61-L102 HydrophobicContact CZ-CD1 4.45Å | ||
| 62 | E | 98.4 | Very high | 97.5 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 52% | 0.523 | 38% | 0.377 | S | S | . | . | trans | -104.9 | 127.6 | 164.1 | -171.6 | -177 | 90.1 | 0 | 0 | 108.6 | V64 V76 N77 | E62-V64 HydrophobicContact CG-CG2 4.13Å; E62-V76 CarbonylContact O-C 3.48Å; E62-V76 WeakPolarHBondContact O-CA 3.17Å; E62-N77 PolarHBondContact N-OD1 3.12Å; E62-N77 PolarHBondContact O-N 2.87Å | ||
| 63 | L | 98.8 | Very high | 97.6 | Very high | 38 Ų | 38 | 72.7 Ų | 72.7 | 20% | 0.199 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.4 | 178.5 | 173.3 | 60.8 | 0 | 0 | 0 | 108.6 | F6 V8 F24 F55 F61 F65 V74 V76 | F6-L63 HydrophobicContact CE2-CD2 4.5Å; V8-L63 HydrophobicContact CG2-CD2 4.08Å; F24-L63 HydrophobicContact CD1-CD2 4.18Å; F24-L63 HydrophobicContact CE1-CD1 4.2Å; F24-L63 HydrophobicContact CE1-CD2 3.8Å; F24-L63 HydrophobicContact CZ-CD1 4.08Å; F24-L63 HydrophobicContact CZ-CD2 4.49Å; F55-L63 HydrophobicContact CZ-CD1 4.34Å; F61-L63 HydrophobicContact CD2-CB 3.89Å; F61-L63 HydrophobicContact CE2-CB 3.86Å; F61-L63 HydrophobicContact CE2-CD2 4.37Å; L63-F65 HydrophobicContact CD1-CE1 4.25Å; L63-F65 HydrophobicContact CD1-CE2 4.07Å; L63-F65 HydrophobicContact CD1-CZ 3.83Å; L63-F65 HydrophobicContact CD2-CE2 3.59Å; L63-F65 HydrophobicContact CD2-CZ 3.65Å; L63-F65 HydrophobicContact CG-CD2 4.3Å; L63-F65 HydrophobicContact CG-CE2 3.59Å; L63-F65 HydrophobicContact CG-CZ 3.81Å; L63-V74 HydrophobicContact CD1-CG1 3.82Å; L63-V76 HydrophobicContact CD1-CG2 3.85Å |
| 64 | V | 98.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 70.8 Ų | 70.8 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.7 | -178.6 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | E62 M66 V75 | E62-V64 HydrophobicContact CG-CG2 4.13Å; V64-M66 HydrophobicContact CG1-CG 4.28Å; V64-V75 HydrophobicContact CB-CB 4.26Å; V64-V75 PolarHBondContact N-O 2.82Å; V64-V75 PolarHBondContact O-N 2.73Å |
| 65 | F | 98.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 70 Ų | 70 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.6 | 169.9 | -60.7 | -77.8 | 0 | 0 | 0 | 108.8 | V8 F10 F22 F24 L63 K73 V74 | V8-F65 HydrophobicContact CB-CE2 4.13Å; V8-F65 HydrophobicContact CB-CZ 4.11Å; V8-F65 HydrophobicContact CG1-CE2 3.82Å; V8-F65 HydrophobicContact CG1-CZ 4.21Å; V8-F65 HydrophobicContact CG2-CE2 4.23Å; V8-F65 HydrophobicContact CG2-CZ 4.35Å; F10-F65 HydrophobicContact CE2-CB 4.29Å; F10-F65 HydrophobicContact CE2-CD1 4.14Å; F10-F65 HydrophobicContact CE2-CD2 4.04Å; F10-F65 HydrophobicContact CE2-CE1 4.47Å; F10-F65 HydrophobicContact CE2-CE2 4.38Å; F10-F65 AromaticContact CE2-CG 3.9Å; F10-F65 HydrophobicContact CE2-CG 3.9Å; F10-F65 HydrophobicContact CZ-CB 3.69Å; F10-F65 HydrophobicContact CZ-CD1 4.39Å; F10-F65 AromaticContact CZ-CD2 3.98Å; F10-F65 HydrophobicContact CZ-CD2 3.98Å; F10-F65 AromaticContact CZ-CG 3.78Å; F10-F65 HydrophobicContact CZ-CG 3.78Å; F22-F65 AromaticContact CE1-CD1 3.71Å; F22-F65 HydrophobicContact CE1-CD1 3.71Å; F22-F65 AromaticContact CE1-CE1 3.64Å; F22-F65 HydrophobicContact CE1-CE1 3.64Å; F22-F65 HydrophobicContact CZ-CE1 4.17Å; F24-F65 HydrophobicContact CB-CE1 4.05Å; F24-F65 HydrophobicContact CB-CZ 3.95Å; F24-F65 HydrophobicContact CD1-CE1 4.44Å; F24-F65 AromaticContact CD1-CZ 3.87Å; F24-F65 HydrophobicContact CD1-CZ 3.87Å; F24-F65 AromaticContact CD2-CE1 3.96Å; F24-F65 HydrophobicContact CD2-CE1 3.96Å; F24-F65 HydrophobicContact CD2-CZ 4.22Å; F24-F65 HydrophobicContact CE1-CZ 4.42Å; F24-F65 AromaticContact CG-CE1 3.9Å; F24-F65 HydrophobicContact CG-CE1 3.9Å; F24-F65 AromaticContact CG-CZ 3.75Å; F24-F65 HydrophobicContact CG-CZ 3.75Å; L63-F65 HydrophobicContact CD1-CE1 4.25Å; L63-F65 HydrophobicContact CD1-CE2 4.07Å; L63-F65 HydrophobicContact CD1-CZ 3.83Å; L63-F65 HydrophobicContact CD2-CE2 3.59Å; L63-F65 HydrophobicContact CD2-CZ 3.65Å; L63-F65 HydrophobicContact CG-CD2 4.3Å; L63-F65 HydrophobicContact CG-CE2 3.59Å; L63-F65 HydrophobicContact CG-CZ 3.81Å; F65-K73 WeakPolarHBondContact CA-O 3.39Å; F65-V74 HydrophobicContact CD1-CG1 4.33Å; F65-V74 HydrophobicContact CD1-CG2 3.93Å; F65-V74 HydrophobicContact CE1-CG1 4.01Å; F65-V74 HydrophobicContact CE1-CG2 3.91Å |
| 66 | M | 98.3 | Very high | 97.8 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 34% | 0.34 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.4 | 171.8 | -71.8 | 173.4 | -86.6 | 0 | 0 | 109.1 | V64 M68 Y72 K73 V75 | V64-M66 HydrophobicContact CG1-CG 4.28Å; M66-M68 HydrophobicContact CB-SD 4.28Å; M66-M68 PolarHBondContact O-N 3.36Å; M66-Y72 CarbonylContact O-C 3.56Å; M66-Y72 WeakPolarHBondContact O-CA 3.27Å; M66-K73 HydrophobicContact CB-CB 4.18Å; M66-K73 HydrophobicContact CE-CB 4.42Å; M66-K73 HydrophobicContact CE-CD 3.74Å; M66-K73 HydrophobicContact CE-CG 3.9Å; M66-K73 PolarHBondContact N-O 2.91Å; M66-K73 PolarHBondContact O-N 2.84Å; M66-V75 HydrophobicContact CE-CB 4.36Å; M66-V75 HydrophobicContact CE-CG2 3.3Å |
| 67 | V | 97.9 | Very high | 97.8 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 100.8 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | Y72 V90 | V67-Y72 HydrophobicContact CG1-CE1 4.38Å; V67-Y72 HydrophobicContact CG2-CD1 4.07Å; V67-Y72 HydrophobicContact CG2-CE1 3.96Å; V67-V90 HydrophobicContact CG1-CG1 3.5Å; V67-V90 VanDerWaalsContact CG1-CG1 3.5Å; V67-V90 HydrophobicContact CG1-CG2 4.26Å |
| 68 | M | 97.8 | Very high | 98 | Very high | 77 Ų | 77 | 65 Ų | 65 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | trans | -94.6 | 164.7 | 177.5 | -52.8 | -60.2 | -66.8 | 0 | 0 | 110 | M66 E70 H71 K73 H86 | M66-M68 HydrophobicContact CB-SD 4.28Å; M66-M68 PolarHBondContact O-N 3.36Å; M68-E70 PolarHBondContact O-N 2.71Å; M68-H71 WeakPolarHBondContact CA-O 3.19Å; M68-H71 VanDerWaalsContact CB-O 3.25Å; M68-H71 WeakPolarHBondContact CB-O 3.16Å; M68-H71 PolarHBondContact N-O 3.47Å; M68-K73 HydrophobicContact CG-CB 4.2Å; M68-H86 PolarHBondContact O-NE2 2.82Å | ||
| 69 | P | 97.6 | Very high | 98.2 | Very high | 125 Ų | 125 | 68.4 Ų | 68.4 | 81% | 0.812 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -56.6 | -34.3 | 178.6 | -28.6 | 36.7 | 0 | 0 | 0 | 114.5 | H86 | P69-H86 PolarHBondContact O-CD2 2.76Š|
| 70 | E | 97.9 | Very high | 98.3 | Very high | 155 Ų | 155 | 66 Ų | 66 | 72% | 0.724 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -105.4 | -22.8 | -173.8 | -60.9 | -175.1 | 164.4 | 0 | 0 | 114 | M68 H86 | M68-E70 PolarHBondContact O-N 2.71Å; E70-H86 PolarHBondContact O-CD2 3.26Å; E70-H86 PolarHBondContact O-N 2.84Å; E70-H86 VanDerWaalsContact O-N 3.12Å |
| 71 | H | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 166.7 | -171.1 | 58.5 | -98.5 | 0 | 0 | 0 | 113.1 | M68 E83 Y84 H86 | M68-H71 WeakPolarHBondContact CA-O 3.19Å; M68-H71 VanDerWaalsContact CB-O 3.25Å; M68-H71 WeakPolarHBondContact CB-O 3.16Å; M68-H71 PolarHBondContact N-O 3.47Å; H71-E83 IonicContact CE1-OE2 3.84Å; H71-E83 IonicContact NE2-OE1 2.82Å; H71-E83 IonicContact NE2-OE2 3.52Å; H71-Y84 CarbonylContact C-O 3.58Å; H71-Y84 WeakPolarHBondContact CA-O 3.49Å; H71-Y84 WeakPolarHBondContact CB-O 3.47Å; H71-H86 PolarHBondContact N-CD2 2.65Å; H71-H86 PolarHBondContact N-NE2 3.28Å |
| 72 | Y | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.5 | 160.6 | -61.3 | -87 | 0 | 0 | 0 | 109.3 | F10 F22 M66 V67 E83 Y84 H86 | F10-Y72 AromaticContact CD1-CE1 3.89Å; F10-Y72 HydrophobicContact CD1-CE1 3.89Å; F10-Y72 HydrophobicContact CE1-CD1 4.37Å; F10-Y72 HydrophobicContact CE1-CE1 4.02Å; F10-Y72 HydrophobicContact CG-CE1 4.29Å; F10-Y72 HydrophobicContact CZ-CD1 4.46Å; F22-Y72 HydrophobicContact CB-CD2 3.94Å; F22-Y72 HydrophobicContact CB-CE2 3.75Å; F22-Y72 HydrophobicContact CD1-CD1 4.09Å; F22-Y72 AromaticContact CD1-CD2 3.78Å; F22-Y72 HydrophobicContact CD1-CD2 3.78Å; F22-Y72 HydrophobicContact CD1-CE2 4.34Å; F22-Y72 AromaticContact CD1-CG 3.64Å; F22-Y72 HydrophobicContact CD1-CG 3.64Å; F22-Y72 HydrophobicContact CE1-CD2 4.49Å; F22-Y72 HydrophobicContact CE1-CG 4.09Å; F22-Y72 AromaticContact CG-CD2 3.94Å; F22-Y72 HydrophobicContact CG-CD2 3.94Å; F22-Y72 HydrophobicContact CG-CE2 4.28Å; F22-Y72 HydrophobicContact CG-CG 4.29Å; M66-Y72 CarbonylContact O-C 3.56Å; M66-Y72 WeakPolarHBondContact O-CA 3.27Å; V67-Y72 HydrophobicContact CG1-CE1 4.38Å; V67-Y72 HydrophobicContact CG2-CD1 4.07Å; V67-Y72 HydrophobicContact CG2-CE1 3.96Å; Y72-E83 CarbonylContact O-C 3.54Å; Y72-E83 WeakPolarHBondContact O-CA 3.48Å; Y72-Y84 HydrophobicContact CD2-CD1 4.27Å; Y72-Y84 PolarHBondContact N-O 2.83Å; Y72-Y84 PolarHBondContact O-N 3.36Å; Y72-H86 AromaticContact CD2-CE1 3.54Å; Y72-H86 AromaticContact CD2-ND1 3.39Å; Y72-H86 WeakPolarHBondContact CD2-ND1 3.39Å; Y72-H86 AromaticContact CE2-CE1 3.42Å; Y72-H86 VanDerWaalsContact CE2-CE1 3.42Å; Y72-H86 WeakPolarHBondContact CE2-CE1 3.31Å; Y72-H86 AromaticContact CE2-ND1 3.06Å; Y72-H86 WeakPolarHBondContact CE2-ND1 3.44Å; Y72-H86 AromaticContact CG-CE1 3.98Å; Y72-H86 AromaticContact CZ-CE1 3.74Å; Y72-H86 AromaticContact CZ-ND1 3.71Å |
| 73 | K | 98.8 | Very high | 98.4 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.5 | 172.2 | 178.8 | 175.8 | -179.5 | 172.3 | 0 | 109.6 | F65 M66 M68 S80 E83 | F65-K73 WeakPolarHBondContact CA-O 3.39Å; M66-K73 HydrophobicContact CB-CB 4.18Å; M66-K73 HydrophobicContact CE-CB 4.42Å; M66-K73 HydrophobicContact CE-CD 3.74Å; M66-K73 HydrophobicContact CE-CG 3.9Å; M66-K73 PolarHBondContact N-O 2.91Å; M66-K73 PolarHBondContact O-N 2.84Å; M68-K73 HydrophobicContact CG-CB 4.2Å; K73-S80 WeakPolarHBondContact CE-OG 3.49Å; K73-E83 HydrophobicContact CB-CG 4.42Å; K73-E83 HydrophobicContact CG-CG 4.32Å |
| 74 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.2 | -179.7 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | F22 F24 L63 F65 V76 F81 Y82 | F22-V74 HydrophobicContact CE1-CG2 4.29Å; F22-V74 HydrophobicContact CZ-CG2 4Å; F24-V74 HydrophobicContact CD2-CG1 4.34Å; F24-V74 HydrophobicContact CD2-CG2 4.48Å; F24-V74 HydrophobicContact CE2-CG1 3.75Å; F24-V74 HydrophobicContact CZ-CG1 4.31Å; L63-V74 HydrophobicContact CD1-CG1 3.82Å; F65-V74 HydrophobicContact CD1-CG1 4.33Å; F65-V74 HydrophobicContact CD1-CG2 3.93Å; F65-V74 HydrophobicContact CE1-CG1 4.01Å; F65-V74 HydrophobicContact CE1-CG2 3.91Å; V74-V76 HydrophobicContact CG1-CG2 4.26Å; V74-F81 HydrophobicContact CB-CB 4.49Å; V74-F81 HydrophobicContact CG1-CB 4.37Å; V74-F81 HydrophobicContact CG1-CD1 4.2Å; V74-F81 WeakPolarHBondContact O-CA 3.48Å; V74-F81 WeakPolarHBondContact O-CB 3.49Å; V74-F81 PolarHBondContact O-N 3.03Å; V74-Y82 PolarHBondContact N-O 3Å; V74-Y82 PolarHBondContact O-N 3.04Å |
| 75 | V | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.7 | 173.6 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | V64 M66 G78 N79 | V64-V75 HydrophobicContact CB-CB 4.26Å; V64-V75 PolarHBondContact N-O 2.82Å; V64-V75 PolarHBondContact O-N 2.73Å; M66-V75 HydrophobicContact CE-CB 4.36Å; M66-V75 HydrophobicContact CE-CG2 3.3Å; V75-G78 VanDerWaalsContact CG1-C 3.45Å; V75-N79 WeakPolarHBondContact CA-O 3.32Å |
| 76 | V | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.5 | 177.8 | -172.8 | 0 | 0 | 0 | 0 | 109 | P54 F55 E62 L63 V74 G78 N79 F81 | P54-V76 HydrophobicContact CB-CB 3.88Å; P54-V76 HydrophobicContact CB-CG1 3.82Å; P54-V76 HydrophobicContact CB-CG2 4.17Å; P54-V76 HydrophobicContact CG-CB 4.14Å; P54-V76 HydrophobicContact CG-CG1 4.1Å; P54-V76 HydrophobicContact CG-CG2 3.88Å; F55-V76 HydrophobicContact CD1-CG1 4.06Å; F55-V76 HydrophobicContact CE1-CG1 3.55Å; F55-V76 HydrophobicContact CE1-CG2 4.33Å; F55-V76 HydrophobicContact CZ-CG1 3.95Å; F55-V76 HydrophobicContact CZ-CG2 3.9Å; E62-V76 CarbonylContact O-C 3.48Å; E62-V76 WeakPolarHBondContact O-CA 3.17Å; L63-V76 HydrophobicContact CD1-CG2 3.85Å; V74-V76 HydrophobicContact CG1-CG2 4.26Å; V76-G78 VanDerWaalsContact C-N 3.27Å; V76-G78 PolarHBondContact O-N 2.82Å; V76-N79 PolarHBondContact N-O 3.14Å; V76-N79 WeakPolarHBondContact O-CB 3.4Å; V76-N79 PolarHBondContact O-N 2.9Å; V76-F81 HydrophobicContact CG2-CB 4.1Å; V76-F81 HydrophobicContact CG2-CG 4.27Å |
| 77 | N | 97.9 | Very high | 98.5 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 41% | 0.412 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 46.5 | -177.1 | -59.8 | -37.8 | 0 | 0 | 0 | 112.2 | F61 E62 N79 | F61-N77 VanDerWaalsContact CA-OD1 3.24Å; F61-N77 WeakPolarHBondContact CA-OD1 3.44Å; E62-N77 PolarHBondContact N-OD1 3.12Å; E62-N77 PolarHBondContact O-N 2.87Å; N77-N79 PolarHBondContact O-N 2.87Å; N77-N79 VanDerWaalsContact O-N 3.16Å; N77-N79 PolarHBondContact O-ND2 2.93Å |
| 78 | G | 97.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 59% | 0.588 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -6.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V75 V76 | V75-G78 VanDerWaalsContact CG1-C 3.45Å; V76-G78 VanDerWaalsContact C-N 3.27Å; V76-G78 PolarHBondContact O-N 2.82Å |
| 79 | N | 98.3 | Very high | 98.5 | Very high | 114 Ų | 114 | 55 Ų | 55 | 61% | 0.61 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.2 | -178.2 | -61.5 | -75.3 | 0 | 0 | 0 | 111.5 | V75 V76 N77 F81 | V75-N79 WeakPolarHBondContact CA-O 3.32Å; V76-N79 PolarHBondContact N-O 3.14Å; V76-N79 WeakPolarHBondContact O-CB 3.4Å; V76-N79 PolarHBondContact O-N 2.9Å; N77-N79 PolarHBondContact O-N 2.87Å; N77-N79 VanDerWaalsContact O-N 3.16Å; N77-N79 PolarHBondContact O-ND2 2.93Å; N79-F81 PolarHBondContact O-N 3.38Å |
| 80 | S | 98.5 | Very high | 98.4 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 125.3 | 174 | -67.9 | 0 | 0 | 0 | 0 | 110.3 | K73 | K73-S80 WeakPolarHBondContact CE-OG 3.49Å |
| 81 | F | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -51.1 | -172 | -175.4 | -109.3 | 0 | 0 | 0 | 113.1 | F24 V34 F36 K50 P54 V74 V76 N79 | F24-F81 HydrophobicContact CE2-CD1 4.43Å; F24-F81 HydrophobicContact CE2-CE1 4.39Å; V34-F81 HydrophobicContact CB-CE1 3.79Å; V34-F81 HydrophobicContact CB-CZ 3.95Å; V34-F81 HydrophobicContact CG1-CE1 4.08Å; V34-F81 HydrophobicContact CG2-CE1 3.65Å; V34-F81 HydrophobicContact CG2-CZ 3.54Å; F36-F81 HydrophobicContact CE1-CE1 4.38Å; F36-F81 HydrophobicContact CZ-CD1 4.25Å; F36-F81 AromaticContact CZ-CE1 3.72Å; F36-F81 HydrophobicContact CZ-CE1 3.72Å; K50-F81 HydrophobicContact CB-CZ 4.31Å; K50-F81 HydrophobicContact CD-CD2 4.25Å; K50-F81 HydrophobicContact CD-CE1 4.29Å; K50-F81 HydrophobicContact CD-CE2 3.75Å; K50-F81 HydrophobicContact CD-CZ 3.77Å; K50-F81 HydrophobicContact CG-CZ 4.33Å; K50-F81 PolarHBondContact NZ-O 2.95Å; P54-F81 HydrophobicContact CB-CD2 3.9Å; P54-F81 HydrophobicContact CB-CE2 3.92Å; P54-F81 HydrophobicContact CG-CD1 4.39Å; P54-F81 HydrophobicContact CG-CD2 3.75Å; P54-F81 HydrophobicContact CG-CE1 4.15Å; P54-F81 HydrophobicContact CG-CE2 3.52Å; P54-F81 HydrophobicContact CG-CG 4.2Å; P54-F81 HydrophobicContact CG-CZ 3.74Å; V74-F81 HydrophobicContact CB-CB 4.49Å; V74-F81 HydrophobicContact CG1-CB 4.37Å; V74-F81 HydrophobicContact CG1-CD1 4.2Å; V74-F81 WeakPolarHBondContact O-CA 3.48Å; V74-F81 WeakPolarHBondContact O-CB 3.49Å; V74-F81 PolarHBondContact O-N 3.03Å; V76-F81 HydrophobicContact CG2-CB 4.1Å; V76-F81 HydrophobicContact CG2-CG 4.27Å; N79-F81 PolarHBondContact O-N 3.38Å |
| 82 | Y | 98.8 | Very high | 98.2 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 158.3 | -175.7 | -152.7 | -112.3 | 0 | 0 | 0 | 112.5 | F36 E48 K50 V74 Y84 | F36-Y82 HydrophobicContact CB-CE1 4.47Å; F36-Y82 AromaticContact CD1-CD1 3.93Å; F36-Y82 HydrophobicContact CD1-CD1 3.93Å; F36-Y82 HydrophobicContact CD1-CE1 4.36Å; F36-Y82 AromaticContact CD2-CD1 3.7Å; F36-Y82 HydrophobicContact CD2-CD1 3.7Å; F36-Y82 AromaticContact CD2-CE1 3.43Å; F36-Y82 HydrophobicContact CD2-CE1 3.43Å; F36-Y82 VanDerWaalsContact CD2-CE1 3.43Å; F36-Y82 HydrophobicContact CD2-CE2 4.46Å; F36-Y82 HydrophobicContact CD2-CG 4.3Å; F36-Y82 AromaticContact CD2-CZ 3.85Å; F36-Y82 AromaticContact CE1-CD1 3.67Å; F36-Y82 HydrophobicContact CE1-CD1 3.67Å; F36-Y82 HydrophobicContact CE1-CE1 4.41Å; F36-Y82 AromaticContact CE1-CG 3.91Å; F36-Y82 HydrophobicContact CE1-CG 3.91Å; F36-Y82 AromaticContact CE2-CD1 3.48Å; F36-Y82 HydrophobicContact CE2-CD1 3.48Å; F36-Y82 VanDerWaalsContact CE2-CD1 3.48Å; F36-Y82 AromaticContact CE2-CD2 3.83Å; F36-Y82 HydrophobicContact CE2-CD2 3.83Å; F36-Y82 AromaticContact CE2-CE1 3.56Å; F36-Y82 HydrophobicContact CE2-CE1 3.56Å; F36-Y82 AromaticContact CE2-CE2 3.91Å; F36-Y82 HydrophobicContact CE2-CE2 3.91Å; F36-Y82 AromaticContact CE2-CG 3.61Å; F36-Y82 HydrophobicContact CE2-CG 3.61Å; F36-Y82 AromaticContact CE2-CZ 3.76Å; F36-Y82 AromaticContact CG-CD1 3.9Å; F36-Y82 HydrophobicContact CG-CD1 3.9Å; F36-Y82 AromaticContact CG-CE1 3.86Å; F36-Y82 HydrophobicContact CG-CE1 3.86Å; F36-Y82 AromaticContact CZ-CD1 3.44Å; F36-Y82 HydrophobicContact CZ-CD1 3.44Å; F36-Y82 VanDerWaalsContact CZ-CD1 3.44Å; F36-Y82 AromaticContact CZ-CD2 3.92Å; F36-Y82 HydrophobicContact CZ-CD2 3.92Å; F36-Y82 HydrophobicContact CZ-CE1 4.04Å; F36-Y82 HydrophobicContact CZ-CE2 4.45Å; F36-Y82 AromaticContact CZ-CG 3.36Å; F36-Y82 HydrophobicContact CZ-CG 3.36Å; E48-Y82 PolarHBondContact OE2-OH 2.94Å; E48-Y82 VanDerWaalsContact OE2-OH 3.11Å; K50-Y82 HydrophobicContact CB-CD2 4.27Å; K50-Y82 HydrophobicContact CB-CE2 4.26Å; K50-Y82 HydrophobicContact CD-CD2 3.99Å; V74-Y82 PolarHBondContact N-O 3Å; V74-Y82 PolarHBondContact O-N 3.04Å; Y82-Y84 HydrophobicContact CE1-CD2 4.36Å |
| 83 | E | 98.8 | Very high | 98.2 | Very high | 110 Ų | 110 | 55.2 Ų | 55.2 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 111.4 | 172.2 | -68.3 | 178.6 | 177 | 0 | 0 | 107.1 | H71 Y72 K73 | H71-E83 IonicContact CE1-OE2 3.84Å; H71-E83 IonicContact NE2-OE1 2.82Å; H71-E83 IonicContact NE2-OE2 3.52Å; Y72-E83 CarbonylContact O-C 3.54Å; Y72-E83 WeakPolarHBondContact O-CA 3.48Å; K73-E83 HydrophobicContact CB-CG 4.42Å; K73-E83 HydrophobicContact CG-CG 4.32Å |
| 84 | Y | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 110.3 | -178.1 | -174.8 | -106.4 | 0 | 0 | 0 | 110.2 | F22 F36 N37 T38 E48 H71 Y72 Y82 R87 | F22-Y84 HydrophobicContact CB-CD1 4.26Å; F22-Y84 HydrophobicContact CB-CE1 4.37Å; F22-Y84 AromaticContact CD2-CD1 3.2Å; F22-Y84 HydrophobicContact CD2-CD1 3.2Å; F22-Y84 HydrophobicContact CD2-CD2 4.49Å; F22-Y84 AromaticContact CD2-CE1 3.59Å; F22-Y84 HydrophobicContact CD2-CE1 3.59Å; F22-Y84 AromaticContact CD2-CG 3.71Å; F22-Y84 HydrophobicContact CD2-CG 3.71Å; F22-Y84 AromaticContact CE2-CD1 3.6Å; F22-Y84 HydrophobicContact CE2-CD1 3.6Å; F22-Y84 HydrophobicContact CE2-CD2 4.25Å; F22-Y84 HydrophobicContact CE2-CE1 4.27Å; F22-Y84 AromaticContact CE2-CG 3.57Å; F22-Y84 HydrophobicContact CE2-CG 3.57Å; F22-Y84 AromaticContact CG-CD1 3.84Å; F22-Y84 HydrophobicContact CG-CD1 3.84Å; F22-Y84 HydrophobicContact CG-CE1 4.29Å; F22-Y84 HydrophobicContact CZ-CD1 4.5Å; F22-Y84 HydrophobicContact CZ-CG 4.36Å; F36-Y84 HydrophobicContact CB-CD2 3.61Å; F36-Y84 HydrophobicContact CB-CE2 3.76Å; F36-Y84 HydrophobicContact CB-CG 4.39Å; F36-Y84 HydrophobicContact CG-CD2 4.42Å; N37-Y84 WeakPolarHBondContact CA-OH 3.29Å; N37-Y84 PolarHBondContact O-OH 2.75Å; T38-Y84 PolarHBondContact N-OH 3.23Å; T38-Y84 PolarHBondContact OG1-OH 3.05Å; E48-Y84 HydrophobicContact CB-CE2 4.46Å; E48-Y84 WeakPolarHBondContact OE1-CE2 3.36Å; H71-Y84 CarbonylContact C-O 3.58Å; H71-Y84 WeakPolarHBondContact CA-O 3.49Å; H71-Y84 WeakPolarHBondContact CB-O 3.47Å; Y72-Y84 HydrophobicContact CD2-CD1 4.27Å; Y72-Y84 PolarHBondContact N-O 2.83Å; Y72-Y84 PolarHBondContact O-N 3.36Å; Y82-Y84 HydrophobicContact CE1-CD2 4.36Å; Y84-R87 WeakPolarHBondContact OH-CD 3.39Å; Y84-R87 PolarHBondContact OH-NE 3.2Å; Y84-R87 VanDerWaalsContact OH-NE 3.08Å; Y84-R87 PolarHBondContact OH-NH1 2.82Å |
| 85 | G | 98.8 | Very high | 98 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 36% | 0.361 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 138.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R87 | G85-R87 PolarHBondContact O-N 3.47Å |
| 86 | H | 98.7 | Very high | 97.9 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 23% | 0.231 | 35% | 0.345 | C | S | . | . | trans | -62.2 | 124.2 | 179.5 | -63.4 | -43.8 | 0 | 0 | 0 | 111.1 | M68 P69 E70 H71 Y72 V90 | M68-H86 PolarHBondContact O-NE2 2.82Å; P69-H86 PolarHBondContact O-CD2 2.76Å; E70-H86 PolarHBondContact O-CD2 3.26Å; E70-H86 PolarHBondContact O-N 2.84Å; E70-H86 VanDerWaalsContact O-N 3.12Å; H71-H86 PolarHBondContact N-CD2 2.65Å; H71-H86 PolarHBondContact N-NE2 3.28Å; Y72-H86 AromaticContact CD2-CE1 3.54Å; Y72-H86 AromaticContact CD2-ND1 3.39Å; Y72-H86 WeakPolarHBondContact CD2-ND1 3.39Å; Y72-H86 AromaticContact CE2-CE1 3.42Å; Y72-H86 VanDerWaalsContact CE2-CE1 3.42Å; Y72-H86 WeakPolarHBondContact CE2-CE1 3.31Å; Y72-H86 AromaticContact CE2-ND1 3.06Å; Y72-H86 WeakPolarHBondContact CE2-ND1 3.44Å; Y72-H86 AromaticContact CG-CE1 3.98Å; Y72-H86 AromaticContact CZ-CE1 3.74Å; Y72-H86 AromaticContact CZ-ND1 3.71Å; H86-V90 WeakPolarHBondContact CE1-CG2 3.42Å; H86-V90 WeakPolarHBondContact NE2-CG2 3.49Å | ||
| 87 | R | 98.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 65.6 Ų | 65.6 | 33% | 0.332 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -105.2 | -22.2 | 172.9 | -57.9 | -170.2 | -175.7 | 172.9 | 2.2 | 113.2 | N37 T38 K46 E48 Y84 G85 | N37-R87 PolarHBondContact OD1-NH1 2.79Å; T38-R87 HydrophobicContact CG2-CB 4.19Å; T38-R87 WeakPolarHBondContact OG1-CB 3.25Å; K46-R87 VanDerWaalsContact O-CZ 3.3Å; K46-R87 PolarHBondContact O-NH1 3.45Å; K46-R87 PolarHBondContact O-NH2 2.87Å; E48-R87 IonicContact OE1-CZ 3.89Å; E48-R87 IonicContact OE1-NE 3.83Å; E48-R87 IonicContact OE1-NH2 3.82Å; E48-R87 PolarHBondContact OE1-NH2 2.94Å; Y84-R87 WeakPolarHBondContact OH-CD 3.39Å; Y84-R87 PolarHBondContact OH-NE 3.2Å; Y84-R87 VanDerWaalsContact OH-NE 3.08Å; Y84-R87 PolarHBondContact OH-NH1 2.82Å; G85-R87 PolarHBondContact O-N 3.47Å |
| 88 | L | 98 | Very high | 97.8 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -120 | 153.9 | 167.6 | -65 | -177 | 0 | 0 | 0 | 109.3 | V12 D19 A21 T38 Q40 V90 | V12-L88 HydrophobicContact CG2-CD1 4.32Å; D19-L88 HydrophobicContact CB-CD1 4.29Å; A21-L88 HydrophobicContact CB-CB 4.01Å; A21-L88 HydrophobicContact CB-CD1 4.21Å; T38-L88 HydrophobicContact CG2-CD1 4.04Å; T38-L88 HydrophobicContact CG2-CG 3.9Å; Q40-L88 HydrophobicContact CG-CD2 4.17Å; L88-V90 PolarHBondContact O-N 2.86Å |
| 89 | P | 98.1 | Very high | 97.8 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | trans | -56.5 | 127.8 | 172.4 | -22.4 | 32.3 | 0 | 0 | 0 | 111.3 | Q91 M92 | P89-Q91 PolarHBondContact O-N 2.89Å; P89-Q91 VanDerWaalsContact O-N 3.14Å; P89-M92 HydrophobicContact CB-CG 4.19Å; P89-M92 HydrophobicContact CB-SD 4.31Å; P89-M92 HydrophobicContact CG-CG 4.47Å; P89-M92 HydrophobicContact CG-SD 3.96Å; P89-M92 WeakPolarHBondContact O-CB 3.34Å; P89-M92 PolarHBondContact O-N 3.45Å | ||
| 90 | V | 96.5 | Very high | 97.7 | Very high | 38 Ų | 38 | 62 Ų | 62 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -55.4 | -34.3 | 179.9 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | V67 H86 L88 M92 V93 | V67-V90 HydrophobicContact CG1-CG1 3.5Å; V67-V90 VanDerWaalsContact CG1-CG1 3.5Å; V67-V90 HydrophobicContact CG1-CG2 4.26Å; H86-V90 WeakPolarHBondContact CE1-CG2 3.42Å; H86-V90 WeakPolarHBondContact NE2-CG2 3.49Å; L88-V90 PolarHBondContact O-N 2.86Å; V90-M92 PolarHBondContact O-N 3.28Å; V90-V93 WeakPolarHBondContact O-CB 3.42Å; V90-V93 PolarHBondContact O-N 3.05Å |
| 91 | Q | 95.8 | Very high | 97.6 | Very high | 163 Ų | 163 | 61.6 Ų | 61.6 | 76% | 0.762 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -65.8 | -16.8 | -178.4 | -58 | 80.2 | 3.3 | 0 | 0 | 113.3 | P89 V93 | P89-Q91 PolarHBondContact O-N 2.89Å; P89-Q91 VanDerWaalsContact O-N 3.14Å; Q91-V93 VanDerWaalsContact C-N 3.32Å |
| 92 | M | 96.9 | Very high | 97.4 | Very high | 81 Ų | 81 | 63 Ų | 63 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -78.2 | -18.5 | 174.9 | -68.2 | -179.5 | 63.4 | 0 | 0 | 112.5 | V12 P89 V90 T94 | V12-M92 WeakPolarHBondContact CA-O 3.39Å; V12-M92 HydrophobicContact CG1-CB 4.12Å; V12-M92 HydrophobicContact CG1-CE 3.9Å; V12-M92 WeakPolarHBondContact CG1-O 3.3Å; V12-M92 HydrophobicContact CG2-CB 4.08Å; P89-M92 HydrophobicContact CB-CG 4.19Å; P89-M92 HydrophobicContact CB-SD 4.31Å; P89-M92 HydrophobicContact CG-CG 4.47Å; P89-M92 HydrophobicContact CG-SD 3.96Å; P89-M92 WeakPolarHBondContact O-CB 3.34Å; P89-M92 PolarHBondContact O-N 3.45Å; V90-M92 PolarHBondContact O-N 3.28Å; M92-T94 PolarHBondContact O-N 3.02Å |
| 93 | V | 97.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 69.2 Ų | 69.2 | 21% | 0.212 | 37% | 0.367 | C | S | . | . | trans | -71.1 | 124.7 | 179.4 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | F10 A21 V90 Q91 | F10-V93 HydrophobicContact CB-CG1 3.77Å; F10-V93 HydrophobicContact CB-CG2 4.02Å; F10-V93 HydrophobicContact CD1-CG1 4.07Å; F10-V93 HydrophobicContact CG-CG1 4.43Å; A21-V93 HydrophobicContact CB-CG2 3.54Å; V90-V93 WeakPolarHBondContact O-CB 3.42Å; V90-V93 PolarHBondContact O-N 3.05Å; Q91-V93 VanDerWaalsContact C-N 3.32Å | ||
| 94 | T | 96.6 | Very high | 97.1 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 55% | 0.546 | 36% | 0.363 | S | S | . | . | trans | -122.8 | -21.2 | -178.8 | 55 | 0 | 0 | 0 | 0 | 112.7 | A11 V12 M92 | A11-T94 PolarHBondContact O-N 3.17Å; V12-T94 PolarHBondContact O-OG1 3.45Å; M92-T94 PolarHBondContact O-N 3.02Å | ||
| 95 | H | 96.8 | Very high | 97 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.3 | -174.6 | -65.1 | 76.3 | 0 | 0 | 0 | 111.6 | A11 | A11-H95 HydrophobicContact CB-CB 4.25Å; A11-H95 PolarHBondContact N-O 2.8Å; A11-H95 PolarHBondContact O-N 3.14Å |
| 96 | L | 97.5 | Very high | 96.8 | Very high | 54 Ų | 54 | 74.8 Ų | 74.8 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.5 | 168.9 | -170.1 | 75.2 | 0 | 0 | 0 | 108.1 | V8 N9 F10 I107 F109 | V8-L96 HydrophobicContact CG1-CD1 3.69Å; V8-L96 HydrophobicContact CG1-CG 4.3Å; N9-L96 WeakPolarHBondContact O-CA 3.06Å; F10-L96 HydrophobicContact CD1-CD1 4.29Å; F10-L96 HydrophobicContact CD2-CD1 4.19Å; F10-L96 HydrophobicContact CE1-CD1 4.12Å; F10-L96 HydrophobicContact CE2-CD1 4.01Å; F10-L96 HydrophobicContact CG-CD1 4.31Å; F10-L96 HydrophobicContact CZ-CD1 3.97Å; L96-I107 HydrophobicContact CD2-CD1 4.2Å; L96-I107 HydrophobicContact CD2-CG2 3.71Å; L96-F109 HydrophobicContact CB-CE1 4.45Å; L96-F109 HydrophobicContact CB-CZ 4.2Å; L96-F109 HydrophobicContact CD2-CE1 4.09Å; L96-F109 HydrophobicContact CD2-CZ 3.99Å |
| 97 | Q | 97.5 | Very high | 96.7 | Very high | 72 Ų | 72 | 75.5 Ų | 75.5 | 34% | 0.336 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.7 | 178 | 174.9 | -164.8 | 16 | 0 | 0 | 109 | V8 N9 | V8-Q97 CarbonylContact C-O 3.56Å; V8-Q97 WeakPolarHBondContact CA-O 3.39Å; N9-Q97 HydrophobicContact CB-CB 4.17Å; N9-Q97 PolarHBondContact N-O 2.8Å; N9-Q97 PolarHBondContact ND2-OE1 2.92Å; N9-Q97 PolarHBondContact O-N 3.48Å |
| 98 | V | 97.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 76.3 Ų | 76.3 | 25% | 0.248 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.3 | 177.1 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | H7 V8 L102 I107 | H7-V98 WeakPolarHBondContact O-CA 3.2Å; V8-V98 HydrophobicContact CG1-CG2 4.17Å; V8-V98 HydrophobicContact CG2-CG1 4.38Å; V8-V98 HydrophobicContact CG2-CG2 4.15Å; V98-L102 HydrophobicContact CG1-CD1 4.48Å; V98-L102 HydrophobicContact CG1-CD2 3.9Å; V98-I107 HydrophobicContact CG2-CD1 3.9Å |
| 99 | D | 96.5 | Very high | 96.3 | Very high | 99 Ų | 99 | 83.6 Ų | 83.6 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 161.8 | -179.3 | -179.1 | 41 | 0 | 0 | 0 | 112.1 | F6 H7 | F6-D99 CarbonylContact C-O 3.53Å; F6-D99 WeakPolarHBondContact CA-O 3.17Å; H7-D99 IonicContact CE1-OD2 3.65Å; H7-D99 PolarHBondContact N-O 2.83Å; H7-D99 PolarHBondContact ND1-O 3.11Å; H7-D99 PolarHBondContact O-N 2.84Å |
| 100 | G | 96.6 | Very high | 96 | Very high | 33 Ų | 33 | 87.4 Ų | 87.4 | 34% | 0.34 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.4 | -157.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L102 | G100-L102 VanDerWaalsContact C-N 3.29Å; G100-L102 PolarHBondContact O-N 3.29Å |
| 101 | D | 96.6 | Very high | 95.5 | Very high | 76 Ų | 76 | 89.2 Ų | 89.2 | 41% | 0.406 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -82.6 | 65.6 | -168.3 | -48 | -50.8 | 0 | 0 | 0 | 112.4 | M3 R4 R5 | M3-D101 HydrophobicContact CB-CB 4.13Å; M3-D101 HydrophobicContact CG-CB 4.05Å; M3-D101 WeakPolarHBondContact CG-O 3.43Å; R4-D101 WeakPolarHBondContact CA-OD2 3.25Å; R4-D101 VanDerWaalsContact CB-OD2 3.31Å; R4-D101 WeakPolarHBondContact CB-OD2 3.4Å; R4-D101 PolarHBondContact N-OD2 3.21Å; R5-D101 PolarHBondContact N-OD2 2.88Å; R5-D101 PolarHBondContact O-N 2.91Å |
| 102 | L | 95 | Very high | 94.6 | Very high | 44 Ų | 44 | 85 Ų | 85 | 23% | 0.23 | 48% | 0.481 | C | S | . | . | trans | -144.6 | 160.3 | 174.5 | 80.6 | 112.7 | 0 | 0 | 0 | 112.3 | F6 F61 V98 G100 L104 | F6-L102 HydrophobicContact CB-CB 4.47Å; F6-L102 HydrophobicContact CB-CD2 3.35Å; F6-L102 HydrophobicContact CB-CG 4.48Å; F6-L102 HydrophobicContact CD1-CD2 4.37Å; F6-L102 HydrophobicContact CD2-CD2 3.58Å; F6-L102 HydrophobicContact CE2-CD2 4.41Å; F6-L102 HydrophobicContact CG-CD2 3.54Å; F61-L102 HydrophobicContact CZ-CD1 4.45Å; V98-L102 HydrophobicContact CG1-CD1 4.48Å; V98-L102 HydrophobicContact CG1-CD2 3.9Å; G100-L102 VanDerWaalsContact C-N 3.29Å; G100-L102 PolarHBondContact O-N 3.29Å; L102-L104 HydrophobicContact CD1-CB 4Å; L102-L104 HydrophobicContact CD1-CD1 4.32Å | ||
| 103 | E | 95.7 | Very high | 93.4 | Very high | 188 Ų | 188 | 90.2 Ų | 90.2 | 88% | 0.879 | 50% | 0.504 | S | S | * | . | trans | -103.9 | 116 | 167.1 | -68.8 | -177.1 | -173.1 | 0 | 0 | 109.3 | ||||
| 104 | L | 95.1 | Very high | 91.5 | Very high | 82 Ų | 82 | 93.5 Ų | 93.5 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | trans | -87 | 115.3 | -175.6 | -177.9 | 67.3 | 0 | 0 | 0 | 110.6 | L102 I107 | L102-L104 HydrophobicContact CD1-CB 4Å; L102-L104 HydrophobicContact CD1-CD1 4.32Å; L104-I107 HydrophobicContact CD1-CD1 4.37Å; L104-I107 HydrophobicContact CD1-CG1 3.97Å; L104-I107 HydrophobicContact CD2-CD1 3.62Å; L104-I107 HydrophobicContact CD2-CG1 3.9Å; L104-I107 HydrophobicContact CG-CG1 4.35Å | ||
| 105 | Q | 96.5 | Very high | 89.7 | Confident | 132 Ų | 132 | 93.6 Ų | 93.6 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | trans | -83.8 | -40.9 | 179.1 | -175.4 | 176.6 | -23 | 0 | 0 | 113.6 | F152 | Q105-F152 WeakPolarHBondContact O-CE2 3.46Å; Q105-F152 WeakPolarHBondContact O-CZ 3.32Å | ||
| 106 | S | 95.4 | Very high | 87.5 | Confident | 49 Ų | 49 | 94.8 Ų | 94.8 | 34% | 0.343 | 56% | 0.56 | S | S | . | * | trans | -166.7 | 156.2 | 179.2 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 107 | I | 96 | Very high | 85 | Confident | 65 Ų | 65 | 94.2 Ų | 94.2 | 33% | 0.333 | 56% | 0.562 | S | S | . | * | trans | -126.6 | 130.4 | 167.2 | -64.4 | 175.3 | 0 | 0 | 0 | 107.3 | L96 V98 L104 F109 | L96-I107 HydrophobicContact CD2-CD1 4.2Å; L96-I107 HydrophobicContact CD2-CG2 3.71Å; V98-I107 HydrophobicContact CG2-CD1 3.9Å; L104-I107 HydrophobicContact CD1-CD1 4.37Å; L104-I107 HydrophobicContact CD1-CG1 3.97Å; L104-I107 HydrophobicContact CD2-CD1 3.62Å; L104-I107 HydrophobicContact CD2-CG1 3.9Å; L104-I107 HydrophobicContact CG-CG1 4.35Å; I107-F109 HydrophobicContact CG2-CE2 3.85Å; I107-F109 HydrophobicContact CG2-CZ 3.85Å | ||
| 108 | N | 94.8 | Very high | 82.3 | Confident | 105 Ų | 105 | 96.9 Ų | 96.9 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | trans | -127.9 | 139.1 | 178.3 | -60.4 | -67.4 | 0 | 0 | 0 | 109.8 | ||||
| 109 | F | 93.4 | Very high | 79.7 | Confident | 162 Ų | 162 | 103.5 Ų | 103.5 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | trans | -108.6 | 129.3 | 173.6 | -59.5 | -83.7 | 0 | 0 | 0 | 108.7 | L96 I107 | L96-F109 HydrophobicContact CB-CE1 4.45Å; L96-F109 HydrophobicContact CB-CZ 4.2Å; L96-F109 HydrophobicContact CD2-CE1 4.09Å; L96-F109 HydrophobicContact CD2-CZ 3.99Å; I107-F109 HydrophobicContact CG2-CE2 3.85Å; I107-F109 HydrophobicContact CG2-CZ 3.85Å | ||
| 110 | L | 91.4 | Very high | 77.1 | Confident | 149 Ų | 149 | 105.3 Ų | 105.3 | 78% | 0.78 | 63% | 0.625 | S | S | * | * | trans | -119.9 | 134.5 | -179.9 | -62.4 | 177.3 | 0 | 0 | 0 | 109.8 | ||||
| 111 | G | 86.7 | Confident | 74.8 | Confident | 77 Ų | 77 | 107 Ų | 107 | 79% | 0.794 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 76.6 | -171.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 112 | G | 76.6 | Confident | 72.1 | Confident | 73 Ų | 73 | 107.3 Ų | 107.3 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 77 | 162.8 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P114 | G112-P114 WeakPolarHBondContact O-CD 3.37Š|
| 113 | Q | 71.4 | Confident | 69.3 | Low | 191 Ų | 191 | 113.7 Ų | 113.7 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 122.1 | 161.9 | -83.2 | -131.1 | -59.6 | 0 | 0 | 107 | A115 | Q113-A115 PolarHBondContact O-N 3.24Š|
| 114 | P | 58.7 | Low | 66.6 | Low | 105 Ų | 105 | 111 Ų | 111 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 121.7 | 168.4 | 23.1 | -29.8 | 0 | 0 | 0 | 106.7 | G112 A116 | G112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-A116 PolarHBondContact O-N 3.49Å |
| 115 | A | 57.7 | Low | 63.9 | Low | 90 Ų | 90 | 114.2 Ų | 114.2 | 74% | 0.744 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 131.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 106 | Q113 A117 | Q113-A115 PolarHBondContact O-N 3.24Å; A115-A117 VanDerWaalsContact C-N 3.25Å; A115-A117 WeakPolarHBondContact O-CA 3.4Å; A115-A117 PolarHBondContact O-N 2.73Å |
| 116 | A | 50.8 | Low | 61 | Low | 104 Ų | 104 | 112 Ų | 112 | 86% | 0.86 | 70% | 0.696 | S | S | * | * | trans | -41.3 | 93.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110 | P114 | P114-A116 PolarHBondContact O-N 3.49Š| ||
| 117 | A | 45.5 | Very low | 58.1 | Low | 41 Ų | 41 | 114.7 Ų | 114.7 | 34% | 0.339 | 72% | 0.721 | S | S | . | * | trans | -68.3 | 134 | -177.9 | 0 | 0 | 0 | 0 | 0 | 104.1 | A115 Y119 | A115-A117 VanDerWaalsContact C-N 3.25Å; A115-A117 WeakPolarHBondContact O-CA 3.4Å; A115-A117 PolarHBondContact O-N 2.73Å; A117-Y119 HydrophobicContact CB-CD2 3.34Å; A117-Y119 HydrophobicContact CB-CE2 3.18Å; A117-Y119 HydrophobicContact CB-CG 4.29Å; A117-Y119 PolarHBondContact O-N 2.96Å | ||
| 118 | P | 40.5 | Very low | 55.4 | Low | 129 Ų | 129 | 120.6 Ų | 120.6 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -74 | 65.7 | 175.8 | 32.4 | -32.8 | 0 | 0 | 0 | 107.4 | P120 | P118-P120 VanDerWaalsContact O-CD 3.25Å; P118-P120 WeakPolarHBondContact O-CD 3.49Å | ||
| 119 | Y | 43.3 | Very low | 52.6 | Low | 179 Ų | 179 | 121.5 Ų | 121.5 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | trans | -79.4 | 110.1 | 163.1 | -67.5 | -66.8 | 0 | 0 | 0 | 105.7 | A117 G121 | A117-Y119 HydrophobicContact CB-CD2 3.34Å; A117-Y119 HydrophobicContact CB-CE2 3.18Å; A117-Y119 HydrophobicContact CB-CG 4.29Å; A117-Y119 PolarHBondContact O-N 2.96Å; Y119-G121 VanDerWaalsContact C-N 3.25Å; Y119-G121 PolarHBondContact O-N 3.02Å | ||
| 120 | P | 41.4 | Very low | 50.3 | Low | 138 Ų | 138 | 119.2 Ų | 119.2 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 92.5 | 169.8 | 26.2 | -19.2 | 0 | 0 | 0 | 106.3 | P118 | P118-P120 VanDerWaalsContact O-CD 3.25Å; P118-P120 WeakPolarHBondContact O-CD 3.49Å |
| 121 | G | 47.5 | Very low | 48.3 | Very low | 67 Ų | 67 | 115.4 Ų | 115.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.9 | -4.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y119 M123 | Y119-G121 VanDerWaalsContact C-N 3.25Å; Y119-G121 PolarHBondContact O-N 3.02Å; G121-M123 PolarHBondContact O-N 3.29Å |
| 122 | A | 40.7 | Very low | 46.1 | Very low | 84 Ų | 84 | 117.1 Ų | 117.1 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -69.3 | 94.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T124 | A122-T124 PolarHBondContact O-N 2.84Š| ||
| 123 | M | 36.5 | Very low | 44.5 | Very low | 177 Ų | 177 | 120.4 Ų | 120.4 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -61.9 | 118.3 | 172.4 | -67.1 | -141.7 | -72.4 | 0 | 0 | 108.9 | G121 I125 | G121-M123 PolarHBondContact O-N 3.29Å; M123-I125 PolarHBondContact O-N 3.3Å; M123-I125 VanDerWaalsContact O-N 3.13Å | ||
| 124 | T | 38.3 | Very low | 43.3 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -58.7 | 114.9 | 170.7 | 52.1 | 0 | 0 | 0 | 0 | 108.5 | A122 P126 | A122-T124 PolarHBondContact O-N 2.84Å; T124-P126 WeakPolarHBondContact O-CD 3.32Å | ||
| 125 | I | 39.9 | Very low | 42.4 | Very low | 150 Ų | 150 | 121 Ų | 121 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -66.8 | 122.2 | 173.1 | -25.2 | 177.6 | 0 | 0 | 0 | 106.9 | M123 A127 | M123-I125 PolarHBondContact O-N 3.3Å; M123-I125 VanDerWaalsContact O-N 3.13Å; I125-A127 PolarHBondContact O-N 2.87Å | ||
| 126 | P | 34.4 | Very low | 41.7 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 56% | 0.558 | 78% | 0.776 | S | S | * | * | trans | -64.7 | 131.5 | 172.6 | -12 | 26.5 | 0 | 0 | 0 | 108.3 | T124 Y128 | T124-P126 WeakPolarHBondContact O-CD 3.32Å; P126-Y128 WeakPolarHBondContact O-CD2 3.4Å; P126-Y128 PolarHBondContact O-N 3.46Å | ||
| 127 | A | 35.1 | Very low | 41.5 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -63.8 | 108.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | I125 | I125-A127 PolarHBondContact O-N 2.87Š| ||
| 128 | Y | 38 | Very low | 41.3 | Very low | 190 Ų | 190 | 127.2 Ų | 127.2 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 142.6 | 170.3 | -63 | -79 | 0 | 0 | 0 | 109.8 | P126 A130 | P126-Y128 WeakPolarHBondContact O-CD2 3.4Å; P126-Y128 PolarHBondContact O-N 3.46Å; Y128-A130 PolarHBondContact O-N 3.21Å | ||
| 129 | P | 37.3 | Very low | 41.4 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 134.1 | -179.8 | -7.4 | 22.4 | 0 | 0 | 0 | 110.3 | G131 | P129-G131 PolarHBondContact O-N 3.3Š| ||
| 130 | A | 44.8 | Very low | 41.2 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 93% | 0.934 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -60 | 115.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y128 | Y128-A130 PolarHBondContact O-N 3.21Š|
| 131 | G | 48.4 | Very low | 41.1 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | 171.5 | 48.2 | 178 | 0 | 0 | 0 | 0 | 0 | 116.4 | P129 | P129-G131 PolarHBondContact O-N 3.3Š| ||
| 132 | S | 41.3 | Very low | 41 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -144.8 | 121.4 | 167.9 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | G134 | S132-G134 PolarHBondContact O-N 3.31Š| ||
| 133 | P | 44 | Very low | 40.9 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 118.4 | 177.6 | 30.9 | -28.3 | 0 | 0 | 0 | 109 | ||
| 134 | G | 45.2 | Very low | 41.4 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.8 | -1.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | S132 | S132-G134 PolarHBondContact O-N 3.31Š|
| 135 | Y | 40.1 | Very low | 41.8 | Very low | 232 Ų | 232 | 132.9 Ų | 132.9 | 91% | 0.91 | 79% | 0.789 | S | S | * | * | trans | -100.5 | 113 | -179.8 | -110.2 | -94.2 | 0 | 0 | 0 | 112.4 | ||||
| 136 | N | 43.4 | Very low | 42.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -103.7 | 114.8 | 168.6 | -153 | 14.5 | 0 | 0 | 0 | 108.3 | ||||
| 137 | P | 45.2 | Very low | 42.7 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 63% | 0.63 | 80% | 0.803 | S | S | * | * | trans | -71.9 | 145.1 | -179 | 26.9 | -31.2 | 0 | 0 | 0 | 111.3 | Q139 | P137-Q139 PolarHBondContact O-N 3.28Š| ||
| 138 | P | 41.4 | Very low | 43.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 133.1 | -179.3 | 26.3 | -31.4 | 0 | 0 | 0 | 111.2 | M140 | P138-M140 PolarHBondContact O-N 2.85Š| ||
| 139 | Q | 43.2 | Very low | 43.1 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -71.3 | 107.3 | 172.7 | -67.1 | -173.1 | -46.8 | 0 | 0 | 109.7 | P137 N141 | P137-Q139 PolarHBondContact O-N 3.28Å; Q139-N141 PolarHBondContact O-N 3.01Å; Q139-N141 VanDerWaalsContact O-N 3.13Å | ||
| 140 | M | 39.6 | Very low | 43.4 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -77.7 | 92.7 | 171 | -74.7 | -171.3 | -175.9 | 0 | 0 | 109.7 | P138 | P138-M140 PolarHBondContact O-N 2.85Š| ||
| 141 | N | 39 | Very low | 43.4 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -97.7 | 33.9 | 177 | -110.4 | 3.7 | 0 | 0 | 0 | 113.1 | Q139 | Q139-N141 PolarHBondContact O-N 3.01Å; Q139-N141 VanDerWaalsContact O-N 3.13Å | ||
| 142 | T | 45.1 | Very low | 43.1 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -128.9 | 124.2 | 174.3 | 40.5 | 0 | 0 | 0 | 0 | 110 | ||
| 143 | L | 39.7 | Very low | 43 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -57.5 | 131.7 | 171.4 | -67.7 | 171.1 | 0 | 0 | 0 | 108.6 | V145 | L143-V145 PolarHBondContact O-N 2.69Š| ||
| 144 | P | 45.3 | Very low | 42.9 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | -65.5 | 125.2 | 179.3 | 23.9 | -30.4 | 0 | 0 | 0 | 110.1 | M146 | P144-M146 PolarHBondContact O-N 3.47Š| ||
| 145 | V | 46.6 | Very low | 42.7 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | -74.2 | 112.1 | 168.1 | 176.3 | 0 | 0 | 0 | 0 | 107.3 | L143 T147 | L143-V145 PolarHBondContact O-N 2.69Å; V145-T147 PolarHBondContact O-N 2.81Å | ||
| 146 | M | 49 | Very low | 42.6 | Very low | 151 Ų | 151 | 131 Ų | 131 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | trans | -82.3 | 97.6 | 178.7 | -62.4 | -149.7 | 106.8 | 0 | 0 | 110.4 | P144 G148 | P144-M146 PolarHBondContact O-N 3.47Å; M146-G148 PolarHBondContact O-N 3.08Å | ||
| 147 | T | 44.6 | Very low | 42.3 | Very low | 142 Ų | 142 | 129 Ų | 129 | 87% | 0.871 | 73% | 0.73 | S | S | * | * | trans | -86.6 | 89.6 | 159.5 | 53 | 0 | 0 | 0 | 0 | 108.1 | V145 | V145-T147 PolarHBondContact O-N 2.81Š| ||
| 148 | G | 46.3 | Very low | 42 | Very low | 54 Ų | 54 | 130 Ų | 130 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -165 | 147.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | M146 | M146-G148 PolarHBondContact O-N 3.08Š|
| 149 | P | 34.8 | Very low | 41.9 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -64.4 | 146.5 | 176.7 | 27.1 | -32.3 | 0 | 0 | 0 | 110.3 | V151 | P149-V151 PolarHBondContact O-N 3.22Š| ||
| 150 | P | 44.6 | Very low | 41.8 | Very low | 77 Ų | 77 | 135 Ų | 135 | 50% | 0.5 | 78% | 0.779 | S | S | . | * | trans | -60.2 | 131.9 | 179.9 | 24.5 | -32.8 | 0 | 0 | 0 | 110.7 | F152 | P150-F152 HydrophobicContact CB-CD2 4.35Å; P150-F152 HydrophobicContact CB-CE2 4.18Å; P150-F152 HydrophobicContact CG-CD2 4.48Å; P150-F152 HydrophobicContact CG-CE2 4.16Å; P150-F152 PolarHBondContact O-N 3.42Å | ||
| 151 | V | 45.3 | Very low | 41.9 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -86.9 | 103.2 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | P149 | P149-V151 PolarHBondContact O-N 3.22Š| ||
| 152 | F | 40.3 | Very low | 42 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 52% | 0.522 | 77% | 0.773 | S | S | . | * | trans | -87.1 | 124.3 | 166.1 | -80.1 | -92.5 | 0 | 0 | 0 | 108.6 | Q105 P150 P154 | Q105-F152 WeakPolarHBondContact O-CE2 3.46Å; Q105-F152 WeakPolarHBondContact O-CZ 3.32Å; P150-F152 HydrophobicContact CB-CD2 4.35Å; P150-F152 HydrophobicContact CB-CE2 4.18Å; P150-F152 HydrophobicContact CG-CD2 4.48Å; P150-F152 HydrophobicContact CG-CE2 4.16Å; P150-F152 PolarHBondContact O-N 3.42Å; F152-P154 VanDerWaalsContact C-CD 3.41Å; F152-P154 WeakPolarHBondContact O-CD 3.49Å | ||
| 153 | N | 40.2 | Very low | 41.8 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -116.4 | 76.8 | 168.4 | -152.7 | 30.2 | 0 | 0 | 0 | 109.7 | V155 | N153-V155 PolarHBondContact O-N 2.8Š| ||
| 154 | P | 41.3 | Very low | 42 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 51% | 0.513 | 77% | 0.771 | S | S | . | * | trans | -76.7 | 114.8 | 174.2 | 30.2 | -28.8 | 0 | 0 | 0 | 108.6 | F152 W156 | F152-P154 VanDerWaalsContact C-CD 3.41Å; F152-P154 WeakPolarHBondContact O-CD 3.49Å; P154-W156 PolarHBondContact O-N 3.4Å; P154-W156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | V | 41.7 | Very low | 41.8 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -74.6 | 99.3 | 165 | -165.5 | 0 | 0 | 0 | 0 | 106.6 | N153 C157 | N153-V155 PolarHBondContact O-N 2.8Å; V155-C157 PolarHBondContact O-N 3.41Å | ||
| 156 | W | 37.3 | Very low | 41.4 | Very low | 222 Ų | 222 | 132.7 Ų | 132.7 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -67.7 | 113.7 | 171.2 | -73.6 | 85.1 | 0 | 0 | 0 | 108.8 | P154 | P154-W156 PolarHBondContact O-N 3.4Å; P154-W156 VanDerWaalsContact O-N 3.1Å | ||
| 157 | C | 37.3 | Very low | 40.9 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 116.6 | 164.4 | -161.3 | 0 | 0 | 0 | 0 | 108.1 | V155 R159 | V155-C157 PolarHBondContact O-N 3.41Å; C157-R159 PolarHBondContact O-N 3.37Å |
| 158 | P | 39.9 | Very low | 40.6 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 122.1 | 173.2 | 23.7 | -19.9 | 0 | 0 | 0 | 108.6 | G160 | P158-G160 PolarHBondContact O-N 3.12Š|
| 159 | R | 38.6 | Very low | 40.1 | Very low | 252 Ų | 252 | 137 Ų | 137 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.6 | 170.4 | -59.7 | -176.5 | -154.7 | 177.4 | 5.3 | 108.6 | C157 | C157-R159 PolarHBondContact O-N 3.37Š|
| 160 | G | 40.3 | Very low | 40.6 | Very low | 149 Ų | 149 | 139 Ų | 139 | 100% | 1.536 | 79% | 0.792 | S | S | * | * | trans | -91.2 | 0 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P158 | P158-G160 PolarHBondContact O-N 3.12Š|
Retrieved 160 of 160 residues in 195.6 ms
(Link to these results)