A0A096NJZ6_PAPAN Loading...

DNA repair protein

Involved in the homologous recombination repair (HRR) pathway of double-stranded DNA, thought to repair chromosomal fragmentation, translocations and deletions.

AlphaFold DB , UniProt , Accession A0A096NJZ6, Species PAPAN (Papio anubis, Olive baboon), Gene XRCC3, Length 346 aa.

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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
1M58.3Low80.4Confident130 Ų13085.1 Ų85.164%0.6444%0.435SS*.  0157.80-69-179.6-156.700107.7L3 D4M1-L3 HydrophobicContact CB-CB 4.23Å; M1-L3 PolarHBondContact O-N 3Å; M1-L3 HydrophobicContact SD-CD1 4.17Å; M1-D4 PolarHBondContact N-OD2 2.94Å; M1-D4 WeakPolarHBondContact O-CB 3.48Å; M1-D4 PolarHBondContact O-N 2.78Å
2D72.9Confident81.3Confident68 Ų6878.4 Ų78.436%0.36440%0.401SS..G310 helixtrans-56-23.6174.3-165.615.8000112.1D4 L5 V24 H56D2-D4 VanDerWaalsContact C-N 3.29Å; D2-D4 PolarHBondContact O-N 2.65Å; D2-L5 WeakPolarHBondContact O-CB 3.21Å; D2-L5 PolarHBondContact O-N 3.25Å; D2-V24 HydrophobicContact CB-CG2 4.12Å; D2-H56 IonicContact OD1-CD2 2.9Å; D2-H56 IonicContact OD1-CE1 3.8Å; D2-H56 IonicContact OD1-NE2 3.8Å; D2-H56 PolarHBondContact OD1-NE2 2.83Å
3L73.1Confident82Confident3 Ų374.5 Ų74.52%0.01638%0.381CS..G310 helixtrans-63.5-25.7172.9-68167.1000115M1 L6 I16 L21 V24 V27M1-L3 HydrophobicContact CB-CB 4.23Å; M1-L3 PolarHBondContact O-N 3Å; M1-L3 HydrophobicContact SD-CD1 4.17Å; L3-L6 HydrophobicContact CD2-CD1 4.29Å; L3-I16 HydrophobicContact CD1-CG2 3.83Å; L3-I16 HydrophobicContact CD2-CG2 3.99Å; L3-I16 HydrophobicContact CG-CG2 4.5Å; L3-L21 WeakPolarHBondContact CD1-O 3.29Å; L3-V24 HydrophobicContact CD2-CG2 4.17Å; L3-V27 HydrophobicContact CD2-CG2 3.9Å
4D77.7Confident82.5Confident78 Ų7873.1 Ų73.142%0.41739%0.386SS..G310 helixtrans-80.4-9.8179-58.1-53.5000112M1 D2 K17M1-D4 PolarHBondContact N-OD2 2.94Å; M1-D4 WeakPolarHBondContact O-CB 3.48Å; M1-D4 PolarHBondContact O-N 2.78Å; D2-D4 VanDerWaalsContact C-N 3.29Å; D2-D4 PolarHBondContact O-N 2.65Å; D4-K17 WeakPolarHBondContact OD1-CE 3.45Å; D4-K17 IonicContact OD1-NZ 3.75Å; D4-K17 PolarHBondContact OD1-NZ 3.41Å; D4-K17 IonicContact OD2-NZ 2.74Å
5L79.1Confident83.1Confident122 Ų12269.3 Ų69.364%0.63937%0.369SS*.G310 helixtrans-86.5-10.3176-59.8172.5000112.4D2D2-L5 WeakPolarHBondContact O-CB 3.21Å; D2-L5 PolarHBondContact O-N 3.25Å
6L82Confident83.5Confident8 Ų865.1 Ų65.14%0.04235%0.347CS..SBendtrans-78.1125.7176.6-62.7176.9000109.6L3 L8 V24 T52 H56L3-L6 HydrophobicContact CD2-CD1 4.29Å; L6-L8 HydrophobicContact CB-CD1 3.73Å; L6-L8 HydrophobicContact CB-CG 3.96Å; L6-L8 HydrophobicContact CD1-CD1 3.79Å; L6-L8 HydrophobicContact CG-CD1 4.42Å; L6-L8 PolarHBondContact O-N 2.91Å; L6-V24 HydrophobicContact CD1-CG1 4.16Å; L6-V24 HydrophobicContact CD1-CG2 3.93Å; L6-V24 HydrophobicContact CD2-CG1 4.07Å; L6-V24 HydrophobicContact CD2-CG2 4.13Å; L6-V24 HydrophobicContact CG-CG2 4.01Å; L6-T52 HydrophobicContact CB-CG2 4.42Å; L6-T52 HydrophobicContact CD2-CG2 4.26Å; L6-H56 HydrophobicContact CD2-CB 3.54Å
7D83.9Confident83.8Confident149 Ų14966.5 Ų66.580%0.79735%0.349SS*.  trans-71.381.3171.9-172.219.8000110.1
8L87.7Confident84.1Confident14 Ų1472.8 Ų72.87%0.07337%0.373CS..  trans-132152.2-176.5-72.2173.4000110.4L6 I12 I13 L49 T52L6-L8 HydrophobicContact CB-CD1 3.73Å; L6-L8 HydrophobicContact CB-CG 3.96Å; L6-L8 HydrophobicContact CD1-CD1 3.79Å; L6-L8 HydrophobicContact CG-CD1 4.42Å; L6-L8 PolarHBondContact O-N 2.91Å; L8-I12 HydrophobicContact CD1-CG2 4.19Å; L8-I13 HydrophobicContact CB-CD1 4.27Å; L8-I13 HydrophobicContact CB-CG1 4.02Å; L8-L49 HydrophobicContact CD1-CD1 3.55Å; L8-T52 HydrophobicContact CD2-CG2 4.13Å; L8-T52 HydrophobicContact CG-CG2 4.17Å
9N89.5Confident84.3Confident94 Ų9470.3 Ų70.350%0.50336%0.364SS..  trans-54.5133.2174-173-50.4000110.5R11 I12 I13N9-R11 PolarHBondContact O-N 2.99Å; N9-R11 WeakPolarHBondContact OD1-CB 3.32Å; N9-R11 PolarHBondContact OD1-N 3.35Å; N9-I12 HydrophobicContact CB-CD1 4.11Å; N9-I12 HydrophobicContact CB-CG1 4.23Å; N9-I12 WeakPolarHBondContact O-CA 3.39Å; N9-I12 WeakPolarHBondContact O-CB 3.48Å; N9-I12 PolarHBondContact O-N 3.04Å; N9-I13 PolarHBondContact O-N 3.22Å
10P89.4Confident84.5Confident101 Ų10175.3 Ų75.366%0.65638%0.383SS*.Hα-helixtrans-51.1-31.1179.1-29.634.8000114.3I13 A14P10-I13 PolarHBondContact O-N 2.84Å; P10-A14 WeakPolarHBondContact O-CB 3.35Å; P10-A14 PolarHBondContact O-N 2.92Å
11R91.1Very high84.5Confident169 Ų16971.9 Ų71.964%0.63837%0.366SS*.Hα-helixtrans-61.7-41.9174.2-177.1-178172.9173.1-3112.5N9 A14 A15N9-R11 PolarHBondContact O-N 2.99Å; N9-R11 WeakPolarHBondContact OD1-CB 3.32Å; N9-R11 PolarHBondContact OD1-N 3.35Å; R11-A14 PolarHBondContact O-N 3.43Å; R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.45Å
12I90.6Very high85.6Confident5 Ų573.1 Ų73.13%0.02637%0.368CS..Hα-helixtrans-67.2-45.8178.6-63.2174.3000109.4L8 N9 A14 A15 I16 L41 E45 L49L8-I12 HydrophobicContact CD1-CG2 4.19Å; N9-I12 HydrophobicContact CB-CD1 4.11Å; N9-I12 HydrophobicContact CB-CG1 4.23Å; N9-I12 WeakPolarHBondContact O-CA 3.39Å; N9-I12 WeakPolarHBondContact O-CB 3.48Å; N9-I12 PolarHBondContact O-N 3.04Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.01Å; I12-A15 WeakPolarHBondContact O-CB 3.49Å; I12-A15 PolarHBondContact O-N 2.91Å; I12-I16 HydrophobicContact CG2-CD1 3.91Å; I12-I16 WeakPolarHBondContact O-CD1 3.49Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.5Å; I12-I16 PolarHBondContact O-N 3.44Å; I12-L41 HydrophobicContact CG1-CD2 4.31Å; I12-L41 HydrophobicContact CG2-CD1 4Å; I12-E45 HydrophobicContact CD1-CB 4.13Å; I12-E45 HydrophobicContact CD1-CG 4.17Å; I12-E45 HydrophobicContact CG1-CB 4.34Å; I12-E45 HydrophobicContact CG1-CG 4.37Å; I12-L49 HydrophobicContact CG2-CB 4.24Å; I12-L49 HydrophobicContact CG2-CD1 4.42Å; I12-L49 HydrophobicContact CG2-CD2 4.45Å
13I90.1Very high86.3Confident27 Ų2771.7 Ų71.714%0.13836%0.363CS..Hα-helixtrans-60.2-43.5177.2-62.2174.3000110.9L8 N9 P10 A15 I16 K17L8-I13 HydrophobicContact CB-CD1 4.27Å; L8-I13 HydrophobicContact CB-CG1 4.02Å; N9-I13 PolarHBondContact O-N 3.22Å; P10-I13 PolarHBondContact O-N 2.84Å; I13-A15 PolarHBondContact O-N 3.43Å; I13-I16 PolarHBondContact O-N 3.01Å; I13-K17 HydrophobicContact CG2-CD 4.28Å; I13-K17 WeakPolarHBondContact O-CG 3.24Å; I13-K17 PolarHBondContact O-N 3.01Å
14A89.8Confident86.9Confident56 Ų5671.6 Ų71.646%0.46336%0.363SS..Hα-helixtrans-62.5-40.8176.500000112.3P10 R11 I12 K17 K18P10-A14 WeakPolarHBondContact O-CB 3.35Å; P10-A14 PolarHBondContact O-N 2.92Å; R11-A14 PolarHBondContact O-N 3.43Å; I12-A14 VanDerWaalsContact C-N 3.33Å; I12-A14 PolarHBondContact O-N 3.01Å; A14-K17 PolarHBondContact O-N 3.48Å; A14-K18 WeakPolarHBondContact O-CB 3.4Å; A14-K18 PolarHBondContact O-N 3.49Å
15A91.1Very high87.2Confident15 Ų1573.6 Ų73.612%0.12437%0.368CS..Hα-helixtrans-64-40.7177.100000112.3R11 I12 I13 K18 A19 L41R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.45Å; I12-A15 WeakPolarHBondContact O-CB 3.49Å; I12-A15 PolarHBondContact O-N 2.91Å; I13-A15 PolarHBondContact O-N 3.43Å; A15-K18 PolarHBondContact O-N 2.79Å; A15-A19 WeakPolarHBondContact O-CB 3.31Å; A15-A19 PolarHBondContact O-N 3.38Å; A15-L41 HydrophobicContact CB-CD1 4.2Å; A15-L41 HydrophobicContact CB-CD2 3.74Å; A15-L41 HydrophobicContact CB-CG 3.95Å
16I90.1Very high87.5Confident2 Ų270 Ų701%0.0135%0.348CS..Hα-helixtrans-63.6-47.8176-66.6163.9000111L3 I12 I13 K18 A19 K20 L21 V27 L49L3-I16 HydrophobicContact CD1-CG2 3.83Å; L3-I16 HydrophobicContact CD2-CG2 3.99Å; L3-I16 HydrophobicContact CG-CG2 4.5Å; I12-I16 HydrophobicContact CG2-CD1 3.91Å; I12-I16 WeakPolarHBondContact O-CD1 3.49Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.5Å; I12-I16 PolarHBondContact O-N 3.44Å; I13-I16 PolarHBondContact O-N 3.01Å; I16-K18 VanDerWaalsContact C-N 3.31Å; I16-K18 PolarHBondContact O-N 2.67Å; I16-A19 CarbonylContact O-C 3.57Å; I16-A19 WeakPolarHBondContact O-CA 3.32Å; I16-A19 WeakPolarHBondContact O-CB 3.47Å; I16-A19 PolarHBondContact O-N 3.35Å; I16-A19 VanDerWaalsContact O-N 3.11Å; I16-K20 PolarHBondContact O-N 3.11Å; I16-L21 HydrophobicContact CG2-CB 3.69Å; I16-L21 HydrophobicContact CG2-CD1 4.03Å; I16-L21 HydrophobicContact CG2-CG 4.41Å; I16-L21 PolarHBondContact O-N 3.49Å; I16-V27 HydrophobicContact CG2-CG2 4.35Å; I16-L49 HydrophobicContact CD1-CD1 3.38Å; I16-L49 HydrophobicContact CD1-CD2 3.66Å; I16-L49 HydrophobicContact CD1-CG 4.15Å; I16-L49 HydrophobicContact CG1-CD1 4.45Å; I16-L49 HydrophobicContact CG1-CD2 3.86Å
17K87.9Confident87.8Confident90 Ų9069.7 Ų69.739%0.39135%0.346SS..Hα-helixtrans-61.8-40177.1-72.6179.8-179.3177.50111.5D4 I13 A14 A19 K20D4-K17 WeakPolarHBondContact OD1-CE 3.45Å; D4-K17 IonicContact OD1-NZ 3.75Å; D4-K17 PolarHBondContact OD1-NZ 3.41Å; D4-K17 IonicContact OD2-NZ 2.74Å; I13-K17 HydrophobicContact CG2-CD 4.28Å; I13-K17 WeakPolarHBondContact O-CG 3.24Å; I13-K17 PolarHBondContact O-N 3.01Å; A14-K17 PolarHBondContact O-N 3.48Å; K17-A19 VanDerWaalsContact C-N 3.3Å; K17-A19 PolarHBondContact O-N 3.18Å; K17-K20 WeakPolarHBondContact O-CA 3.31Å; K17-K20 PolarHBondContact O-N 3.02Å
18K90.3Very high88Confident180 Ų18065.9 Ų65.978%0.78333%0.325SS*.Hα-helixtrans-62.4-37.3174.3-173.1-180-179.6-1800111.9A14 A15 I16 K20A14-K18 WeakPolarHBondContact O-CB 3.4Å; A14-K18 PolarHBondContact O-N 3.49Å; A15-K18 PolarHBondContact O-N 2.79Å; I16-K18 VanDerWaalsContact C-N 3.31Å; I16-K18 PolarHBondContact O-N 2.67Å; K18-K20 PolarHBondContact O-N 2.94Å
19A87.6Confident87.9Confident25 Ų2571 Ų7121%0.20735%0.348CS..THydrogen-bonded Turntrans-741.8173.800000113.8A15 I16 K17 L21 T39A15-A19 WeakPolarHBondContact O-CB 3.31Å; A15-A19 PolarHBondContact O-N 3.38Å; I16-A19 CarbonylContact O-C 3.57Å; I16-A19 WeakPolarHBondContact O-CA 3.32Å; I16-A19 WeakPolarHBondContact O-CB 3.47Å; I16-A19 PolarHBondContact O-N 3.35Å; I16-A19 VanDerWaalsContact O-N 3.11Å; K17-A19 VanDerWaalsContact C-N 3.3Å; K17-A19 PolarHBondContact O-N 3.18Å; A19-L21 HydrophobicContact CB-CD1 4.42Å; A19-L21 HydrophobicContact CB-CG 4.29Å; A19-L21 PolarHBondContact O-N 3.24Å; A19-T39 HydrophobicContact CB-CG2 3.89Å
20K87.4Confident87.8Confident169 Ų16969.7 Ų69.774%0.73534%0.338SS*.THydrogen-bonded Turntrans62.321.8178.7-55.2-178.7179.6177.80114.9I16 K17 K18I16-K20 PolarHBondContact O-N 3.11Å; K17-K20 WeakPolarHBondContact O-CA 3.31Å; K17-K20 PolarHBondContact O-N 3.02Å; K18-K20 PolarHBondContact O-N 2.94Å
21L85.1Confident87.8Confident5 Ų567.4 Ų67.43%0.02633%0.325CS..  trans-72.8127.2171.2-59.6172.7000108.6L3 I16 A19 E26 V27 F30 L35L3-L21 WeakPolarHBondContact CD1-O 3.29Å; I16-L21 HydrophobicContact CG2-CB 3.69Å; I16-L21 HydrophobicContact CG2-CD1 4.03Å; I16-L21 HydrophobicContact CG2-CG 4.41Å; I16-L21 PolarHBondContact O-N 3.49Å; A19-L21 HydrophobicContact CB-CD1 4.42Å; A19-L21 HydrophobicContact CB-CG 4.29Å; A19-L21 PolarHBondContact O-N 3.24Å; L21-E26 HydrophobicContact CD2-CG 3.92Å; L21-V27 HydrophobicContact CD1-CG2 4.2Å; L21-F30 HydrophobicContact CD2-CD2 3.96Å; L21-F30 HydrophobicContact CD2-CE2 3.39Å; L21-F30 HydrophobicContact CD2-CZ 4.15Å; L21-L35 HydrophobicContact CD1-CD2 3.96Å
22K82Confident87.8Confident155 Ų15560.6 Ų60.667%0.67431%0.307SS*.  trans-101-19.9-169.4-58.2178.2-175.7170.80113.4E26K22-E26 WeakPolarHBondContact CA-OE2 3.4Å; K22-E26 WeakPolarHBondContact CB-OE2 3.37Å; K22-E26 PolarHBondContact N-OE2 3.43Å
23S86.3Confident87.9Confident39 Ų3965 Ų6527%0.27334%0.336SS..SBendtrans-145.1159.9-176.770.50000113.8K25 E26 V27S23-K25 VanDerWaalsContact C-N 3.26Å; S23-K25 PolarHBondContact O-N 3.31Å; S23-E26 PolarHBondContact N-OE2 2.91Å; S23-E26 WeakPolarHBondContact O-CB 3.39Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 WeakPolarHBondContact OG-CB 3.43Å; S23-E26 PolarHBondContact OG-N 3.27Å; S23-E26 VanDerWaalsContact OG-N 3.13Å; S23-V27 PolarHBondContact O-N 3.42Å
24V86.4Confident87.9Confident0 Ų066.2 Ų66.20%034%0.343CS..Hα-helixtrans-61.4-36.8173.8-173.50000111D2 L3 L6 E26 V27 A53 L57D2-V24 HydrophobicContact CB-CG2 4.12Å; L3-V24 HydrophobicContact CD2-CG2 4.17Å; L6-V24 HydrophobicContact CD1-CG1 4.16Å; L6-V24 HydrophobicContact CD1-CG2 3.93Å; L6-V24 HydrophobicContact CD2-CG1 4.07Å; L6-V24 HydrophobicContact CD2-CG2 4.13Å; L6-V24 HydrophobicContact CG-CG2 4.01Å; V24-E26 VanDerWaalsContact C-N 3.34Å; V24-E26 PolarHBondContact O-N 2.74Å; V24-V27 WeakPolarHBondContact O-CB 3.46Å; V24-V27 PolarHBondContact O-N 3.34Å; V24-A53 HydrophobicContact CG1-CB 3.57Å; V24-L57 HydrophobicContact CB-CD1 4.11Å; V24-L57 HydrophobicContact CB-CD2 4.48Å; V24-L57 HydrophobicContact CB-CG 4.32Å; V24-L57 HydrophobicContact CG1-CD1 3.7Å; V24-L57 HydrophobicContact CG1-CD2 4.46Å; V24-L57 HydrophobicContact CG1-CG 3.81Å
25K84.6Confident88.1Confident120 Ų12063.5 Ų63.552%0.52232%0.321SS..Hα-helixtrans-63-41.1177.4-172.8-179.2178-174.10111.6S23 V27 L28 H29 L57S23-K25 VanDerWaalsContact C-N 3.26Å; S23-K25 PolarHBondContact O-N 3.31Å; K25-V27 VanDerWaalsContact C-N 3.32Å; K25-V27 PolarHBondContact O-N 2.87Å; K25-L28 PolarHBondContact O-N 2.7Å; K25-L28 VanDerWaalsContact O-N 3.1Å; K25-H29 PolarHBondContact O-N 3.39Å; K25-L57 HydrophobicContact CB-CD1 4.24Å
26E84.5Confident88.2Confident48 Ų4867.3 Ų67.322%0.22433%0.334CS..Hα-helixtrans-64.1-35.5178.8-168.4-179.917600112.3L21 K22 S23 V24 L28 H29 F30L21-E26 HydrophobicContact CD2-CG 3.92Å; K22-E26 WeakPolarHBondContact CA-OE2 3.4Å; K22-E26 WeakPolarHBondContact CB-OE2 3.37Å; K22-E26 PolarHBondContact N-OE2 3.43Å; S23-E26 PolarHBondContact N-OE2 2.91Å; S23-E26 WeakPolarHBondContact O-CB 3.39Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 WeakPolarHBondContact OG-CB 3.43Å; S23-E26 PolarHBondContact OG-N 3.27Å; S23-E26 VanDerWaalsContact OG-N 3.13Å; V24-E26 VanDerWaalsContact C-N 3.34Å; V24-E26 PolarHBondContact O-N 2.74Å; E26-L28 PolarHBondContact O-N 2.88Å; E26-H29 WeakPolarHBondContact O-CB 3.17Å; E26-H29 PolarHBondContact O-N 2.96Å; E26-H29 VanDerWaalsContact O-N 3.09Å; E26-F30 HydrophobicContact CG-CE2 4.26Å; E26-F30 VanDerWaalsContact O-CD2 3.24Å; E26-F30 WeakPolarHBondContact O-CD2 3.49Å
27V88.6Confident88.3Confident0 Ų075.6 Ų75.60%037%0.366CS..Hα-helixtrans-56.8-40.6172.6176.70000111L3 I16 L21 S23 V24 K25 H29 F30 L35 L49 L50 A53L3-V27 HydrophobicContact CD2-CG2 3.9Å; I16-V27 HydrophobicContact CG2-CG2 4.35Å; L21-V27 HydrophobicContact CD1-CG2 4.2Å; S23-V27 PolarHBondContact O-N 3.42Å; V24-V27 WeakPolarHBondContact O-CB 3.46Å; V24-V27 PolarHBondContact O-N 3.34Å; K25-V27 VanDerWaalsContact C-N 3.32Å; K25-V27 PolarHBondContact O-N 2.87Å; V27-H29 VanDerWaalsContact C-N 3.26Å; V27-H29 PolarHBondContact O-N 3.44Å; V27-F30 PolarHBondContact O-N 3.48Å; V27-L35 HydrophobicContact CG1-CD1 4.07Å; V27-L35 HydrophobicContact CG1-CD2 4.38Å; V27-L49 HydrophobicContact CG1-CD1 3.91Å; V27-L49 HydrophobicContact CG1-CD2 3.85Å; V27-L49 HydrophobicContact CG1-CG 3.71Å; V27-L50 HydrophobicContact CG1-CD2 4.41Å; V27-A53 HydrophobicContact CG1-CB 4.4Å
28L87.8Confident88.5Confident69 Ų6975 Ų7536%0.36137%0.366SS..THydrogen-bonded Turntrans-74.9-10-179.7-62.8-175.7000114K25 E26 F30 L50 A53 L57K25-L28 PolarHBondContact O-N 2.7Å; K25-L28 VanDerWaalsContact O-N 3.1Å; E26-L28 PolarHBondContact O-N 2.88Å; L28-F30 VanDerWaalsContact C-N 3.28Å; L28-L50 HydrophobicContact CD2-CD2 3.94Å; L28-A53 HydrophobicContact CD2-CB 3.88Å; L28-A53 HydrophobicContact CG-CB 4.24Å; L28-L57 HydrophobicContact CD1-CD1 3.59Å; L28-L57 HydrophobicContact CG-CD1 4.37Å
29H86.2Confident88.6Confident121 Ų12167.1 Ų67.156%0.5633%0.333SS*.THydrogen-bonded Turntrans-77.4-15.6174.1-64.6162.6000113K25 E26 V27K25-H29 PolarHBondContact O-N 3.39Å; E26-H29 WeakPolarHBondContact O-CB 3.17Å; E26-H29 PolarHBondContact O-N 2.96Å; E26-H29 VanDerWaalsContact O-N 3.09Å; V27-H29 VanDerWaalsContact C-N 3.26Å; V27-H29 PolarHBondContact O-N 3.44Å
30F86.7Confident88.9Confident67 Ų6772.6 Ų72.629%0.29436%0.359SS..SBendtrans-100.5142.8-178.9-67.3-84.2000111.8L21 E26 V27 L28 D34 L35 L38L21-F30 HydrophobicContact CD2-CD2 3.96Å; L21-F30 HydrophobicContact CD2-CE2 3.39Å; L21-F30 HydrophobicContact CD2-CZ 4.15Å; E26-F30 HydrophobicContact CG-CE2 4.26Å; E26-F30 VanDerWaalsContact O-CD2 3.24Å; E26-F30 WeakPolarHBondContact O-CD2 3.49Å; V27-F30 PolarHBondContact O-N 3.48Å; L28-F30 VanDerWaalsContact C-N 3.28Å; F30-D34 HydrophobicContact CB-CB 4.33Å; F30-D34 HydrophobicContact CD1-CB 4.15Å; F30-L35 HydrophobicContact CB-CD1 4.35Å; F30-L35 HydrophobicContact CB-CD2 3.72Å; F30-L35 HydrophobicContact CB-CG 3.56Å; F30-L35 HydrophobicContact CD2-CD2 4.26Å; F30-L35 HydrophobicContact CG-CD2 4.19Å; F30-L38 HydrophobicContact CD1-CD1 3.4Å; F30-L38 VanDerWaalsContact CD1-CD1 3.4Å; F30-L38 HydrophobicContact CE1-CD1 3.36Å; F30-L38 HydrophobicContact CG-CD1 4.04Å; F30-L38 HydrophobicContact CZ-CD1 3.98Å
31S89.2Confident89.2Confident54 Ų5464.9 Ų64.938%0.37833%0.325SS..  trans-67.8157.5169.677.90000110.7P33 D34 L35S31-P33 WeakPolarHBondContact OG-CD 3.27Å; S31-D34 WeakPolarHBondContact CB-OD2 3.47Å; S31-D34 PolarHBondContact O-N 3.37Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 2.9Å; S31-D34 PolarHBondContact OG-OD2 3.34Å; S31-L35 PolarHBondContact O-N 3.28Å
32G92.3Very high89.7Confident25 Ų2567 Ų6726%0.25834%0.341SS..Hα-helixtrans-51.7-47.9174.300000113.4D34 L35 K36G32-D34 PolarHBondContact O-N 3.38Å; G32-L35 PolarHBondContact O-N 3.3Å; G32-K36 WeakPolarHBondContact O-CB 3.45Å; G32-K36 PolarHBondContact O-N 2.95Å
33P92.6Very high90.2Very high98 Ų9863 Ų6364%0.63633%0.332SS*.Hα-helixtrans-59.6-40.1173.7-26.735.6000114.3S31 K36 R37S31-P33 WeakPolarHBondContact OG-CD 3.27Å; P33-K36 WeakPolarHBondContact O-CB 3.48Å; P33-K36 PolarHBondContact O-N 2.62Å; P33-R37 PolarHBondContact O-N 2.92Å
34D90.1Very high90.7Very high52 Ų5265.5 Ų65.528%0.27835%0.348SS..Hα-helixtrans-68.8-42.7179-65.1-44.8000111.6F30 S31 G32 K36 R37 L38F30-D34 HydrophobicContact CB-CB 4.33Å; F30-D34 HydrophobicContact CD1-CB 4.15Å; S31-D34 WeakPolarHBondContact CB-OD2 3.47Å; S31-D34 PolarHBondContact O-N 3.37Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 2.9Å; S31-D34 PolarHBondContact OG-OD2 3.34Å; G32-D34 PolarHBondContact O-N 3.38Å; D34-K36 VanDerWaalsContact C-N 3.31Å; D34-K36 PolarHBondContact O-N 3.43Å; D34-R37 PolarHBondContact O-N 2.98Å; D34-R37 IonicContact OD1-CZ 3.38Å; D34-R37 IonicContact OD1-NH1 3.9Å; D34-R37 IonicContact OD1-NH2 3Å; D34-R37 PolarHBondContact OD1-NH2 3.13Å; D34-L38 WeakPolarHBondContact O-CB 3.48Å; D34-L38 VanDerWaalsContact O-CG 3.31Å; D34-L38 WeakPolarHBondContact O-CG 3.35Å; D34-L38 PolarHBondContact O-N 3.49Å
35L92.8Very high91Very high0 Ų067.3 Ų67.30%036%0.356CS..Hα-helixtrans-59.7-43.3173.3-78.2173.8000111.3L21 V27 F30 S31 G32 R37 L38 T39 V46 L50L21-L35 HydrophobicContact CD1-CD2 3.96Å; V27-L35 HydrophobicContact CG1-CD1 4.07Å; V27-L35 HydrophobicContact CG1-CD2 4.38Å; F30-L35 HydrophobicContact CB-CD1 4.35Å; F30-L35 HydrophobicContact CB-CD2 3.72Å; F30-L35 HydrophobicContact CB-CG 3.56Å; F30-L35 HydrophobicContact CD2-CD2 4.26Å; F30-L35 HydrophobicContact CG-CD2 4.19Å; S31-L35 PolarHBondContact O-N 3.28Å; G32-L35 PolarHBondContact O-N 3.3Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.25Å; L35-L38 PolarHBondContact O-N 3.25Å; L35-T39 WeakPolarHBondContact O-CB 3.42Å; L35-T39 WeakPolarHBondContact O-CG2 3.29Å; L35-T39 PolarHBondContact O-N 3.11Å; L35-T39 PolarHBondContact O-OG1 3.44Å; L35-V46 HydrophobicContact CB-CG1 3.79Å; L35-V46 HydrophobicContact CB-CG2 4.45Å; L35-V46 HydrophobicContact CD1-CG1 4.11Å; L35-L50 HydrophobicContact CD1-CD1 4.14Å; L35-L50 HydrophobicContact CD1-CD2 3.54Å; L35-L50 HydrophobicContact CD1-CG 3.77Å
36K94Very high91.5Very high95 Ų9561.8 Ų61.841%0.41333%0.333SS..Hα-helixtrans-56.6-46.8175.6-177.9171-174.3176.50111.2G32 P33 D34 N40 L41 S43 V46G32-K36 WeakPolarHBondContact O-CB 3.45Å; G32-K36 PolarHBondContact O-N 2.95Å; P33-K36 WeakPolarHBondContact O-CB 3.48Å; P33-K36 PolarHBondContact O-N 2.62Å; D34-K36 VanDerWaalsContact C-N 3.31Å; D34-K36 PolarHBondContact O-N 3.43Å; K36-N40 VanDerWaalsContact O-CA 3.26Å; K36-N40 WeakPolarHBondContact O-CA 3.46Å; K36-N40 PolarHBondContact O-N 2.81Å; K36-L41 WeakPolarHBondContact CG-O 3.35Å; K36-S43 PolarHBondContact NZ-OG 2.84Å; K36-S43 VanDerWaalsContact NZ-OG 3.07Å; K36-V46 HydrophobicContact CB-CG2 4.15Å
37R92.6Very high91.9Very high176 Ų17666.9 Ų66.966%0.66435%0.35SS*.Hα-helixtrans-66.7-38178.2-174.8174.962.4-146-10.4112.8P33 D34 L35P33-R37 PolarHBondContact O-N 2.92Å; D34-R37 PolarHBondContact O-N 2.98Å; D34-R37 IonicContact OD1-CZ 3.38Å; D34-R37 IonicContact OD1-NH1 3.9Å; D34-R37 IonicContact OD1-NH2 3Å; D34-R37 PolarHBondContact OD1-NH2 3.13Å; L35-R37 VanDerWaalsContact C-N 3.31Å; L35-R37 PolarHBondContact O-N 3.25Å
38L91.9Very high92.2Very high78 Ų7870.8 Ų70.841%0.40837%0.368SS..Hα-helixtrans-75.5-38.6-178.2-76164.5000113.1F30 D34 L35F30-L38 HydrophobicContact CD1-CD1 3.4Å; F30-L38 VanDerWaalsContact CD1-CD1 3.4Å; F30-L38 HydrophobicContact CE1-CD1 3.36Å; F30-L38 HydrophobicContact CG-CD1 4.04Å; F30-L38 HydrophobicContact CZ-CD1 3.98Å; D34-L38 WeakPolarHBondContact O-CB 3.48Å; D34-L38 VanDerWaalsContact O-CG 3.31Å; D34-L38 WeakPolarHBondContact O-CG 3.35Å; D34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 3.25Å
39T92.6Very high92.4Very high13 Ų1367.5 Ų67.58%0.0835%0.351CS..Hα-helixtrans-102.6-13.7-171.363.90000113.4A19 L35 L41A19-T39 HydrophobicContact CB-CG2 3.89Å; L35-T39 WeakPolarHBondContact O-CB 3.42Å; L35-T39 WeakPolarHBondContact O-CG2 3.29Å; L35-T39 PolarHBondContact O-N 3.11Å; L35-T39 PolarHBondContact O-OG1 3.44Å; T39-L41 HydrophobicContact CG2-CD1 4.45Å; T39-L41 PolarHBondContact O-N 3.24Å; T39-L41 WeakPolarHBondContact OG1-CB 3.46Å; T39-L41 WeakPolarHBondContact OG1-CD1 3.26Å; T39-L41 VanDerWaalsContact OG1-CG 3.29Å; T39-L41 WeakPolarHBondContact OG1-CG 3.46Å; T39-L41 PolarHBondContact OG1-N 3.13Å
40N92.9Very high92.7Very high140 Ų14063.8 Ų63.875%0.74933%0.334SS*.  trans5526.4-170.8-68.3-36.2000114K36K36-N40 VanDerWaalsContact O-CA 3.26Å; K36-N40 WeakPolarHBondContact O-CA 3.46Å; K36-N40 PolarHBondContact O-N 2.81Å
41L93.9Very high92.9Very high7 Ų767.3 Ų67.34%0.03735%0.346CS..  trans-78.1157.7173.9-68.3174.1000111.4I12 A15 K36 T39 E45 V46 L49I12-L41 HydrophobicContact CG1-CD2 4.31Å; I12-L41 HydrophobicContact CG2-CD1 4Å; A15-L41 HydrophobicContact CB-CD1 4.2Å; A15-L41 HydrophobicContact CB-CD2 3.74Å; A15-L41 HydrophobicContact CB-CG 3.95Å; K36-L41 WeakPolarHBondContact CG-O 3.35Å; T39-L41 HydrophobicContact CG2-CD1 4.45Å; T39-L41 PolarHBondContact O-N 3.24Å; T39-L41 WeakPolarHBondContact OG1-CB 3.46Å; T39-L41 WeakPolarHBondContact OG1-CD1 3.26Å; T39-L41 VanDerWaalsContact OG1-CG 3.29Å; T39-L41 WeakPolarHBondContact OG1-CG 3.46Å; T39-L41 PolarHBondContact OG1-N 3.13Å; L41-E45 HydrophobicContact CB-CB 4.06Å; L41-E45 HydrophobicContact CD2-CB 4.35Å; L41-V46 HydrophobicContact CB-CG2 3.74Å; L41-L49 HydrophobicContact CD1-CD2 4.42Å
42S94.9Very high93Very high51 Ų5165.8 Ų65.836%0.35734%0.335SS..  trans-71.3157.8171.266.40000111.4P44 E45 V46S42-P44 VanDerWaalsContact C-CD 3.45Å; S42-P44 VanDerWaalsContact C-N 3.33Å; S42-E45 VanDerWaalsContact CB-OE2 3.31Å; S42-E45 WeakPolarHBondContact CB-OE2 3.2Å; S42-E45 PolarHBondContact N-OE2 2.89Å; S42-E45 PolarHBondContact O-N 3.26Å; S42-E45 VanDerWaalsContact O-N 3.13Å; S42-E45 VanDerWaalsContact OG-CG 3.24Å; S42-E45 WeakPolarHBondContact OG-CG 3.25Å; S42-E45 PolarHBondContact OG-OE2 3.13Å; S42-V46 WeakPolarHBondContact O-CG2 3.42Å; S42-V46 PolarHBondContact O-N 3.47Å
43S94.2Very high92.9Very high69 Ų6964.6 Ų64.648%0.48332%0.322SS..Hα-helixtrans-55.6-40.1178.7-52.90000113.5K36 V46 W47K36-S43 PolarHBondContact NZ-OG 2.84Å; K36-S43 VanDerWaalsContact NZ-OG 3.07Å; S43-V46 PolarHBondContact O-N 3.1Å; S43-W47 WeakPolarHBondContact O-CB 3.24Å; S43-W47 PolarHBondContact O-N 3.32Å
44P94.9Very high92.7Very high92 Ų9261.3 Ų61.360%0.59730%0.302SS*.Hα-helixtrans-64-41174.5-21.733.3000113.5S42 W47 H48S42-P44 VanDerWaalsContact C-CD 3.45Å; S42-P44 VanDerWaalsContact C-N 3.33Å; P44-W47 PolarHBondContact O-N 3.1Å; P44-H48 WeakPolarHBondContact O-CB 3.35Å; P44-H48 PolarHBondContact O-N 3.42Å
45E94.3Very high92.5Very high39 Ų3963.8 Ų63.818%0.18231%0.314CS..Hα-helixtrans-65.1-42177.7-72.3167.413600111.4I12 L41 S42 H48 L49I12-E45 HydrophobicContact CD1-CB 4.13Å; I12-E45 HydrophobicContact CD1-CG 4.17Å; I12-E45 HydrophobicContact CG1-CB 4.34Å; I12-E45 HydrophobicContact CG1-CG 4.37Å; L41-E45 HydrophobicContact CB-CB 4.06Å; L41-E45 HydrophobicContact CD2-CB 4.35Å; S42-E45 VanDerWaalsContact CB-OE2 3.31Å; S42-E45 WeakPolarHBondContact CB-OE2 3.2Å; S42-E45 PolarHBondContact N-OE2 2.89Å; S42-E45 PolarHBondContact O-N 3.26Å; S42-E45 VanDerWaalsContact O-N 3.13Å; S42-E45 VanDerWaalsContact OG-CG 3.24Å; S42-E45 WeakPolarHBondContact OG-CG 3.25Å; S42-E45 PolarHBondContact OG-OE2 3.13Å; E45-H48 PolarHBondContact O-N 3.43Å; E45-L49 WeakPolarHBondContact O-CB 3.42Å; E45-L49 PolarHBondContact O-N 2.94Å
46V94.4Very high92.2Very high4 Ų467.5 Ų67.52%0.02433%0.331CS..Hα-helixtrans-63.5-42.2175.2174.50000111.3L35 K36 L41 S42 S43 L49 L50L35-V46 HydrophobicContact CB-CG1 3.79Å; L35-V46 HydrophobicContact CB-CG2 4.45Å; L35-V46 HydrophobicContact CD1-CG1 4.11Å; K36-V46 HydrophobicContact CB-CG2 4.15Å; L41-V46 HydrophobicContact CB-CG2 3.74Å; S42-V46 WeakPolarHBondContact O-CG2 3.42Å; S42-V46 PolarHBondContact O-N 3.47Å; S43-V46 PolarHBondContact O-N 3.1Å; V46-L49 WeakPolarHBondContact O-CB 3.26Å; V46-L49 PolarHBondContact O-N 3.38Å; V46-L50 HydrophobicContact CG1-CD1 4.14Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 2.98Å
47W93.9Very high91.6Very high155 Ų15566.5 Ų66.559%0.58733%0.33SS*.Hα-helixtrans-63.7-43.4177-174.291.4000111.8S43 P44 L50 R51S43-W47 WeakPolarHBondContact O-CB 3.24Å; S43-W47 PolarHBondContact O-N 3.32Å; P44-W47 PolarHBondContact O-N 3.1Å; W47-L50 PolarHBondContact O-N 3.41Å; W47-R51 VanDerWaalsContact CH2-CD 3.46Å; W47-R51 VanDerWaalsContact CH2-NH1 3.35Å; W47-R51 WeakPolarHBondContact O-CB 3.16Å; W47-R51 PolarHBondContact O-N 3.49Å
48H93.8Very high90.7Very high82 Ų8266.5 Ų66.538%0.3833%0.33SS..Hα-helixtrans-63.3-41.9176.5-176.957000111.9P44 E45 R51 T52P44-H48 WeakPolarHBondContact O-CB 3.35Å; P44-H48 PolarHBondContact O-N 3.42Å; E45-H48 PolarHBondContact O-N 3.43Å; H48-R51 PolarHBondContact O-N 3.32Å; H48-T52 WeakPolarHBondContact O-CB 3.43Å; H48-T52 PolarHBondContact O-N 3.26Å; H48-T52 PolarHBondContact O-OG1 2.86Å
49L92.9Very high89.4Confident0 Ų065.7 Ų65.70%034%0.34CS..Hα-helixtrans-57-54.2172.416957.3000111.7L8 I12 I16 V27 L41 E45 V46 R51 T52 A53L8-L49 HydrophobicContact CD1-CD1 3.55Å; I12-L49 HydrophobicContact CG2-CB 4.24Å; I12-L49 HydrophobicContact CG2-CD1 4.42Å; I12-L49 HydrophobicContact CG2-CD2 4.45Å; I16-L49 HydrophobicContact CD1-CD1 3.38Å; I16-L49 HydrophobicContact CD1-CD2 3.66Å; I16-L49 HydrophobicContact CD1-CG 4.15Å; I16-L49 HydrophobicContact CG1-CD1 4.45Å; I16-L49 HydrophobicContact CG1-CD2 3.86Å; V27-L49 HydrophobicContact CG1-CD1 3.91Å; V27-L49 HydrophobicContact CG1-CD2 3.85Å; V27-L49 HydrophobicContact CG1-CG 3.71Å; L41-L49 HydrophobicContact CD1-CD2 4.42Å; E45-L49 WeakPolarHBondContact O-CB 3.42Å; E45-L49 PolarHBondContact O-N 2.94Å; V46-L49 WeakPolarHBondContact O-CB 3.26Å; V46-L49 PolarHBondContact O-N 3.38Å; L49-R51 VanDerWaalsContact C-N 3.32Å; L49-R51 PolarHBondContact O-N 2.92Å; L49-T52 PolarHBondContact O-N 3.29Å; L49-A53 VanDerWaalsContact O-CB 3.29Å; L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 3.39Å
50L92.2Very high87.8Confident42 Ų4270.6 Ų70.622%0.2238%0.375CS..Hα-helixtrans-60.5-41.2-179.4-77.3172.6000112.1V27 L28 L35 V46 W47 S54V27-L50 HydrophobicContact CG1-CD2 4.41Å; L28-L50 HydrophobicContact CD2-CD2 3.94Å; L35-L50 HydrophobicContact CD1-CD1 4.14Å; L35-L50 HydrophobicContact CD1-CD2 3.54Å; L35-L50 HydrophobicContact CD1-CG 3.77Å; V46-L50 HydrophobicContact CG1-CD1 4.14Å; V46-L50 WeakPolarHBondContact O-CG 3.47Å; V46-L50 PolarHBondContact O-N 2.98Å; W47-L50 PolarHBondContact O-N 3.41Å; L50-S54 VanDerWaalsContact O-CB 3.24Å; L50-S54 WeakPolarHBondContact O-CB 3.47Å; L50-S54 PolarHBondContact O-N 3.37Å
51R91.1Very high86.3Confident141 Ų14167 Ų6753%0.53236%0.361SS..Hα-helixtrans-62.6-47.9177-175.6177.1-174.4-1742.6111.3W47 H48 L49 S54 L55W47-R51 VanDerWaalsContact CH2-CD 3.46Å; W47-R51 VanDerWaalsContact CH2-NH1 3.35Å; W47-R51 WeakPolarHBondContact O-CB 3.16Å; W47-R51 PolarHBondContact O-N 3.49Å; H48-R51 PolarHBondContact O-N 3.32Å; L49-R51 VanDerWaalsContact C-N 3.32Å; L49-R51 PolarHBondContact O-N 2.92Å; R51-S54 PolarHBondContact O-N 3.03Å; R51-L55 HydrophobicContact CG-CD1 4.06Å; R51-L55 VanDerWaalsContact O-CG 3.31Å; R51-L55 WeakPolarHBondContact O-CG 3.24Å; R51-L55 PolarHBondContact O-N 3.41Å
52T90.7Very high85.2Confident23 Ų2375.2 Ų75.214%0.14140%0.403CS..Hα-helixtrans-67.1-43.7-178-49.60000111L6 L8 H48 L49 S54 L55 H56L6-T52 HydrophobicContact CB-CG2 4.42Å; L6-T52 HydrophobicContact CD2-CG2 4.26Å; L8-T52 HydrophobicContact CD2-CG2 4.13Å; L8-T52 HydrophobicContact CG-CG2 4.17Å; H48-T52 WeakPolarHBondContact O-CB 3.43Å; H48-T52 PolarHBondContact O-N 3.26Å; H48-T52 PolarHBondContact O-OG1 2.86Å; L49-T52 PolarHBondContact O-N 3.29Å; T52-S54 VanDerWaalsContact C-N 3.34Å; T52-S54 PolarHBondContact O-N 3.15Å; T52-L55 PolarHBondContact O-N 2.72Å; T52-H56 WeakPolarHBondContact O-CB 3.34Å; T52-H56 PolarHBondContact O-N 3.01Å
53A89.9Confident84.2Confident0 Ų075.1 Ų75.10%040%0.398CS..Hα-helixtrans-59.5-42.7173.200000112.2V24 V27 L28 L49 H56 L57V24-A53 HydrophobicContact CG1-CB 3.57Å; V27-A53 HydrophobicContact CG1-CB 4.4Å; L28-A53 HydrophobicContact CD2-CB 3.88Å; L28-A53 HydrophobicContact CG-CB 4.24Å; L49-A53 VanDerWaalsContact O-CB 3.29Å; L49-A53 WeakPolarHBondContact O-CB 3.46Å; L49-A53 PolarHBondContact O-N 3.39Å; A53-H56 PolarHBondContact O-N 3.44Å; A53-L57 PolarHBondContact O-N 3.39Å; A53-L57 VanDerWaalsContact O-N 3.11Å
54S88.1Confident83.7Confident29 Ų2975.3 Ų75.320%0.20340%0.397CS..Hα-helixtrans-64.6-41.1176.1-175.50000112.1L50 R51 T52 R58L50-S54 VanDerWaalsContact O-CB 3.24Å; L50-S54 WeakPolarHBondContact O-CB 3.47Å; L50-S54 PolarHBondContact O-N 3.37Å; R51-S54 PolarHBondContact O-N 3.03Å; T52-S54 VanDerWaalsContact C-N 3.34Å; T52-S54 PolarHBondContact O-N 3.15Å; S54-R58 WeakPolarHBondContact O-CB 3.44Å; S54-R58 VanDerWaalsContact O-CG 3.25Å; S54-R58 WeakPolarHBondContact O-CG 3.31Å; S54-R58 PolarHBondContact O-N 2.94Å; S54-R58 PolarHBondContact OG-NE 3.26Å; S54-R58 VanDerWaalsContact OG-NE 3.1Å; S54-R58 PolarHBondContact OG-NH2 3.09Å
55L86.9Confident83.1Confident103 Ų10375 Ų7554%0.53940%0.401SS..Hα-helixtrans-67.9-38.8178.4-72.8169.3000112.2R51 T52R51-L55 HydrophobicContact CG-CD1 4.06Å; R51-L55 VanDerWaalsContact O-CG 3.31Å; R51-L55 WeakPolarHBondContact O-CG 3.24Å; R51-L55 PolarHBondContact O-N 3.41Å; T52-L55 PolarHBondContact O-N 2.72Å
56H86.1Confident82.6Confident79 Ų7978 Ų7837%0.36642%0.418SS..Hα-helixtrans-63.7-41176.1-173.876.2000112.4D2 L6 T52 A53D2-H56 IonicContact OD1-CD2 2.9Å; D2-H56 IonicContact OD1-CE1 3.8Å; D2-H56 IonicContact OD1-NE2 3.8Å; D2-H56 PolarHBondContact OD1-NE2 2.83Å; L6-H56 HydrophobicContact CD2-CB 3.54Å; T52-H56 WeakPolarHBondContact O-CB 3.34Å; T52-H56 PolarHBondContact O-N 3.01Å; A53-H56 PolarHBondContact O-N 3.44Å
57L81.4Confident82Confident73 Ų7382.1 Ų82.138%0.38244%0.437SS..Hα-helixtrans-89.2-19.3-177.9-67.9176.2000114.3V24 K25 L28 A53 G59V24-L57 HydrophobicContact CB-CD1 4.11Å; V24-L57 HydrophobicContact CB-CD2 4.48Å; V24-L57 HydrophobicContact CB-CG 4.32Å; V24-L57 HydrophobicContact CG1-CD1 3.7Å; V24-L57 HydrophobicContact CG1-CD2 4.46Å; V24-L57 HydrophobicContact CG1-CG 3.81Å; K25-L57 HydrophobicContact CB-CD1 4.24Å; L28-L57 HydrophobicContact CD1-CD1 3.59Å; L28-L57 HydrophobicContact CG-CD1 4.37Å; A53-L57 PolarHBondContact O-N 3.39Å; A53-L57 VanDerWaalsContact O-N 3.11Å; L57-G59 PolarHBondContact O-N 3.42Å
58R74.1Confident81.1Confident177 Ų17778.8 Ų78.867%0.66843%0.43SS*.  trans-68.179.8168.4-87.7-172.9-132.5-164.5-1.6108.7S54 S60S54-R58 WeakPolarHBondContact O-CB 3.44Å; S54-R58 VanDerWaalsContact O-CG 3.25Å; S54-R58 WeakPolarHBondContact O-CG 3.31Å; S54-R58 PolarHBondContact O-N 2.94Å; S54-R58 PolarHBondContact OG-NE 3.26Å; S54-R58 VanDerWaalsContact OG-NE 3.1Å; S54-R58 PolarHBondContact OG-NH2 3.09Å; R58-S60 PolarHBondContact O-N 2.88Å
59G64.4Low80.2Confident60 Ų6080.9 Ų80.962%0.61944%0.44SS*.  trans-51.5139.6154.900000109.1L57 S61L57-G59 PolarHBondContact O-N 3.42Å; G59-S61 PolarHBondContact O-N 2.85Å; G59-S61 VanDerWaalsContact O-N 3.13Å
60S58.3Low79.4Confident117 Ų11786.9 Ų86.982%0.81847%0.468SS*.SBendtrans-60.3114.8177.2-49.80000110.2R58R58-S60 PolarHBondContact O-N 2.88Å
61S61.1Low78.1Confident63 Ų6388.6 Ų88.644%0.44148%0.475SS..  trans166.2123.2134.539.10000111.1G59 L63G59-S61 PolarHBondContact O-N 2.85Å; G59-S61 VanDerWaalsContact O-N 3.13Å; S61-L63 PolarHBondContact O-N 3.44Å; S61-L63 VanDerWaalsContact OG-CD2 3.24Å; S61-L63 WeakPolarHBondContact OG-CD2 3.39Å; S61-L63 WeakPolarHBondContact OG-CG 3.39Å
62I72.5Confident76.4Confident181 Ų18188.7 Ų88.793%0.92848%0.479SS*.PPolyproline II helixtrans-61.6116.1145.5-63.8171.6000104.7
63L73.9Confident74.5Confident48 Ų4895.8 Ų95.825%0.25151%0.511SS..PPolyproline II helixtrans-98.5140.7178.4-67.1168.3000109S61 H67 L68S61-L63 PolarHBondContact O-N 3.44Å; S61-L63 VanDerWaalsContact OG-CD2 3.24Å; S61-L63 WeakPolarHBondContact OG-CD2 3.39Å; S61-L63 WeakPolarHBondContact OG-CG 3.39Å; L63-H67 HydrophobicContact CD2-CB 4.2Å; L63-L68 HydrophobicContact CB-CD2 4.35Å; L63-L68 HydrophobicContact CB-CG 4.03Å; L63-L68 HydrophobicContact CD1-CD2 3.64Å; L63-L68 HydrophobicContact CD1-CG 4.24Å
64T82.6Confident72.6Confident74 Ų74101.3 Ų101.345%0.45453%0.532SS..PPolyproline II helixtrans-70.8153.1167.164.70000108.9L66 H67 L68T64-L66 PolarHBondContact O-N 2.86Å; T64-H67 PolarHBondContact O-N 3.03Å; T64-H67 VanDerWaalsContact O-N 3.09Å; T64-H67 VanDerWaalsContact OG1-CG 3.24Å; T64-H67 PolarHBondContact OG1-N 3.46Å; T64-H67 PolarHBondContact OG1-ND1 3.43Å; T64-L68 PolarHBondContact O-N 3.04Å; T64-L68 VanDerWaalsContact O-N 3.11Å
65A82.6Confident71.2Confident84 Ų84104.1 Ų104.169%0.69454%0.541SS*.Hα-helixtrans-55.3-34.2172.400000111.6L68 H69A65-L68 PolarHBondContact O-N 3.43Å; A65-H69 WeakPolarHBondContact O-CB 3.44Å; A65-H69 PolarHBondContact O-N 3.45Å
66L84.3Confident69.9Low103 Ų103102.9 Ų102.954%0.53954%0.538SS..Hα-helixtrans-64.7-44.7175.7-176.262.9000112.3T64 L68 H69 Q70T64-L66 PolarHBondContact O-N 2.86Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.2Å; L66-H69 PolarHBondContact O-N 3.46Å; L66-Q70 HydrophobicContact CD1-CG 4.18Å; L66-Q70 HydrophobicContact CG-CG 4.4Å; L66-Q70 WeakPolarHBondContact O-CB 3.22Å; L66-Q70 WeakPolarHBondContact O-CG 3.23Å; L66-Q70 PolarHBondContact O-N 3.07Å
67H80.4Confident68.6Low91 Ų91100.7 Ų100.742%0.42153%0.534SS..Hα-helixtrans-62.1-40.7176.1-72.7165.4000111.8L63 T64 Q70 Q71L63-H67 HydrophobicContact CD2-CB 4.2Å; T64-H67 PolarHBondContact O-N 3.03Å; T64-H67 VanDerWaalsContact O-N 3.09Å; T64-H67 VanDerWaalsContact OG1-CG 3.24Å; T64-H67 PolarHBondContact OG1-N 3.46Å; T64-H67 PolarHBondContact OG1-ND1 3.43Å; H67-Q70 PolarHBondContact O-N 3.23Å; H67-Q71 VanDerWaalsContact O-CB 3.23Å; H67-Q71 WeakPolarHBondContact O-CB 3.24Å; H67-Q71 VanDerWaalsContact O-CG 3.22Å; H67-Q71 WeakPolarHBondContact O-CG 3.4Å; H67-Q71 PolarHBondContact O-N 3.1Å
68L75.3Confident67.7Low84 Ų84102.3 Ų102.344%0.4454%0.54SS..Hα-helixtrans-62.9-42174.5-73.7172000112L63 T64 A65 L66 Q71 F75L63-L68 HydrophobicContact CB-CD2 4.35Å; L63-L68 HydrophobicContact CB-CG 4.03Å; L63-L68 HydrophobicContact CD1-CD2 3.64Å; L63-L68 HydrophobicContact CD1-CG 4.24Å; T64-L68 PolarHBondContact O-N 3.04Å; T64-L68 VanDerWaalsContact O-N 3.11Å; A65-L68 PolarHBondContact O-N 3.43Å; L66-L68 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.2Å; L68-Q71 PolarHBondContact O-N 3.03Å; L68-F75 HydrophobicContact CD2-CE2 4.21Å
69H74.8Confident67.6Low127 Ų12799.3 Ų99.359%0.58853%0.533SS*.Hα-helixtrans-66.1-40.8178.3-176.275.9000112.8A65 L66 K72A65-H69 WeakPolarHBondContact O-CB 3.44Å; A65-H69 PolarHBondContact O-N 3.45Å; L66-H69 PolarHBondContact O-N 3.46Å; H69-K72 WeakPolarHBondContact O-CG 3.21Å
70Q76.9Confident68.7Low125 Ų12599.5 Ų99.558%0.58452%0.518SS*.Hα-helixtrans-72.9-31.3178.6-71.7173.6-19.200112.1L66 H67 K72L66-Q70 HydrophobicContact CD1-CG 4.18Å; L66-Q70 HydrophobicContact CG-CG 4.4Å; L66-Q70 WeakPolarHBondContact O-CB 3.22Å; L66-Q70 WeakPolarHBondContact O-CG 3.23Å; L66-Q70 PolarHBondContact O-N 3.07Å; H67-Q70 PolarHBondContact O-N 3.23Å; Q70-K72 PolarHBondContact O-N 3.07Å
71Q65.8Low70.4Confident79 Ų7996.3 Ų96.337%0.36949%0.488SS..  trans-82.347.8175.1-69.3-175.1-12.500112.5H67 L68 E73 R74H67-Q71 VanDerWaalsContact O-CB 3.23Å; H67-Q71 WeakPolarHBondContact O-CB 3.24Å; H67-Q71 VanDerWaalsContact O-CG 3.22Å; H67-Q71 WeakPolarHBondContact O-CG 3.4Å; H67-Q71 PolarHBondContact O-N 3.1Å; L68-Q71 PolarHBondContact O-N 3.03Å; Q71-E73 PolarHBondContact O-N 3.19Å; Q71-R74 HydrophobicContact CB-CB 3.93Å; Q71-R74 PolarHBondContact O-N 3.21Å
72K54.1Low72.1Confident142 Ų14293.3 Ų93.362%0.61747%0.467SS*.THydrogen-bonded Turntrans-46.7-28.7174.3-79.3-175176.5177.70112.9H69 Q70 H79H69-K72 WeakPolarHBondContact O-CG 3.21Å; Q70-K72 PolarHBondContact O-N 3.07Å; K72-H79 PolarHBondContact O-CE1 3.44Å; K72-H79 VanDerWaalsContact O-CE1 3.31Å; K72-H79 PolarHBondContact O-ND1 3.02Å
73E50.8Low73.3Confident172 Ų17285.1 Ų85.180%0.80443%0.426SS*.THydrogen-bonded Turntrans-89.7-5.6-179.6-58.9-152.5157.900116.2Q71 F75 P76Q71-E73 PolarHBondContact O-N 3.19Å; E73-F75 VanDerWaalsContact C-N 3.27Å; E73-F75 PolarHBondContact O-N 3.38Å; E73-P76 WeakPolarHBondContact O-CD 3.49Å
74R51Low74.4Confident116 Ų11682.9 Ų82.944%0.43841%0.414SS..THydrogen-bonded Turntrans-72.7-24.7179.8-171.8165.4-176172.91.5112.6Q71Q71-R74 HydrophobicContact CB-CB 3.93Å; Q71-R74 PolarHBondContact O-N 3.21Å
75F58.3Low74.9Confident89 Ų8979.6 Ų79.639%0.3940%0.395SS..SBendtrans-126.263.4172.9-53.5-70.9000110.4L68 E73 A77 Q78 H79L68-F75 HydrophobicContact CD2-CE2 4.21Å; E73-F75 VanDerWaalsContact C-N 3.27Å; E73-F75 PolarHBondContact O-N 3.38Å; F75-A77 PolarHBondContact O-N 2.93Å; F75-Q78 HydrophobicContact CB-CB 4.07Å; F75-Q78 HydrophobicContact CB-CG 3.86Å; F75-Q78 VanDerWaalsContact CB-OE1 3.32Å; F75-Q78 WeakPolarHBondContact O-CB 3.38Å; F75-Q78 PolarHBondContact O-N 2.68Å; F75-H79 PolarHBondContact O-ND1 2.86Å
76P59.2Low75.4Confident76 Ų7676 Ų7649%0.49436%0.364SS..Hα-helixtrans-63.7-31.8-175.126.9-26.4000110.4E73 Q78 H79 Q80E73-P76 WeakPolarHBondContact O-CD 3.49Å; P76-Q78 VanDerWaalsContact C-N 3.31Å; P76-Q78 PolarHBondContact O-N 3.38Å; P76-H79 PolarHBondContact O-N 3.32Å; P76-Q80 WeakPolarHBondContact O-CG 3.37Å; P76-Q80 PolarHBondContact O-N 2.74Å
77A59.1Low75.8Confident34 Ų3475.7 Ų75.728%0.28137%0.369SS..Hα-helixtrans-49.3-42.6168.300000114.8F75 H79 Q80F75-A77 PolarHBondContact O-N 2.93Å; A77-H79 VanDerWaalsContact C-N 3.25Å; A77-H79 PolarHBondContact O-N 2.8Å; A77-Q80 PolarHBondContact O-N 2.93Å
78Q62.2Low76.5Confident107 Ų10772.7 Ų72.750%0.536%0.357SS..Hα-helixtrans-74.2-18.1-174.9-71.4177-7.200112.7F75 P76 R81F75-Q78 HydrophobicContact CB-CB 4.07Å; F75-Q78 HydrophobicContact CB-CG 3.86Å; F75-Q78 VanDerWaalsContact CB-OE1 3.32Å; F75-Q78 WeakPolarHBondContact O-CB 3.38Å; F75-Q78 PolarHBondContact O-N 2.68Å; P76-Q78 VanDerWaalsContact C-N 3.31Å; P76-Q78 PolarHBondContact O-N 3.38Å; Q78-R81 PolarHBondContact O-NH1 3.03Å
79H72.1Confident77.4Confident113 Ų11368.7 Ų68.752%0.52334%0.336SS..Hα-helixtrans-98.1-9.9178.7-58.6108.3000113K72 F75 P76 A77K72-H79 PolarHBondContact O-CE1 3.44Å; K72-H79 VanDerWaalsContact O-CE1 3.31Å; K72-H79 PolarHBondContact O-ND1 3.02Å; F75-H79 PolarHBondContact O-ND1 2.86Å; P76-H79 PolarHBondContact O-N 3.32Å; A77-H79 VanDerWaalsContact C-N 3.25Å; A77-H79 PolarHBondContact O-N 2.8Å
80Q86.8Confident78.4Confident64 Ų6463.8 Ų63.830%0.29931%0.314SS..  trans-67.5144175.1-69.2177.216.900110.2P76 A77 L99P76-Q80 WeakPolarHBondContact O-CG 3.37Å; P76-Q80 PolarHBondContact O-N 2.74Å; A77-Q80 PolarHBondContact O-N 2.93Å; Q80-L99 HydrophobicContact CB-CD1 3.41Å; Q80-L99 VanDerWaalsContact CB-CD1 3.41Å; Q80-L99 HydrophobicContact CB-CG 3.85Å; Q80-L99 HydrophobicContact CG-CD1 4.45Å
81R94Very high79.1Confident50 Ų5061 Ų6119%0.18931%0.309CS..EExtended strand (participates in β ladder)trans-137.5147.3-179.1-61.8-65.1-179.2-933.3109.8Q78 G95 G96 L97Q78-R81 PolarHBondContact O-NH1 3.03Å; R81-G95 VanDerWaalsContact CB-O 3.27Å; R81-G95 WeakPolarHBondContact CB-O 3.26Å; R81-G96 WeakPolarHBondContact CD-O 3.27Å; R81-L97 CarbonylContact C-O 3.58Å; R81-L97 WeakPolarHBondContact CA-O 3.38Å; R81-L97 WeakPolarHBondContact CD-O 3.43Å
82L97.5Very high80.5Confident0 Ų057.7 Ų57.70%029%0.293CS..EExtended strand (participates in β ladder)trans-91.1118.3165.9170.463.1000108.3G96 L97 L99 L120 A123 V124 L133 L209 P252L82-G96 CarbonylContact O-C 3.38Å; L82-G96 WeakPolarHBondContact O-CA 3.5Å; L82-L97 HydrophobicContact CB-CB 4.43Å; L82-L97 PolarHBondContact N-O 3.4Å; L82-L97 PolarHBondContact O-N 3.48Å; L82-L99 HydrophobicContact CB-CD2 4.07Å; L82-L120 HydrophobicContact CD2-CD2 4.03Å; L82-L120 HydrophobicContact CG-CD2 4.17Å; L82-A123 HydrophobicContact CD1-CB 4.43Å; L82-V124 HydrophobicContact CD1-CB 3.95Å; L82-V124 HydrophobicContact CD1-CG2 4.29Å; L82-V124 HydrophobicContact CD2-CB 4.13Å; L82-V124 HydrophobicContact CD2-CG2 4.39Å; L82-L133 HydrophobicContact CB-CD1 4.49Å; L82-L133 HydrophobicContact CD1-CG 4.4Å; L82-L209 HydrophobicContact CD2-CB 4.42Å; L82-L209 HydrophobicContact CD2-CD1 3.97Å; L82-L209 HydrophobicContact CD2-CD2 4.2Å; L82-L209 HydrophobicContact CD2-CG 4.43Å; L82-P252 HydrophobicContact CB-CG 3.98Å; L82-P252 HydrophobicContact CD2-CB 4.49Å; L82-P252 HydrophobicContact CD2-CG 3.65Å; L82-P252 HydrophobicContact CG-CG 4.46Å
83S97.3Very high82.3Confident9 Ų951 Ų516%0.06326%0.264CS..  trans-60.6144.3175.3167.80000111G85 D90 A123 G131S83-G85 PolarHBondContact O-N 3.03Å; S83-G85 PolarHBondContact OG-N 3.47Å; S83-D90 WeakPolarHBondContact CA-OD1 3.44Å; S83-D90 WeakPolarHBondContact CB-OD2 3.08Å; S83-D90 VanDerWaalsContact OG-CG 3.31Å; S83-D90 PolarHBondContact OG-OD1 3.09Å; S83-D90 PolarHBondContact OG-OD2 3.49Å; S83-A123 WeakPolarHBondContact O-CB 3.38Å; S83-G131 WeakPolarHBondContact CB-O 3.19Å; S83-G131 PolarHBondContact N-O 3.37Å
84L96.8Very high84.2Confident1 Ų147.1 Ų47.11%0.00526%0.255CS..  trans-75.8-0.2170.3-80.967.5000111.6C86 L89 D90 L93 L97 L116 Q119 L120L84-C86 PolarHBondContact O-N 3.18Å; L84-L89 HydrophobicContact CB-CB 4.2Å; L84-L89 HydrophobicContact CD2-CB 3.82Å; L84-L89 HydrophobicContact CD2-CD1 4.34Å; L84-D90 PolarHBondContact N-OD1 3.23Å; L84-L93 HydrophobicContact CD1-CD1 3.78Å; L84-L93 HydrophobicContact CD2-CD1 3.79Å; L84-L93 HydrophobicContact CG-CD1 4.48Å; L84-L97 HydrophobicContact CD1-CD2 4.05Å; L84-L97 HydrophobicContact CD1-CG 3.96Å; L84-L116 HydrophobicContact CB-CD1 4.48Å; L84-L116 HydrophobicContact CD2-CD1 4.13Å; L84-L116 HydrophobicContact CD2-CD2 4.28Å; L84-L116 HydrophobicContact CG-CD1 4.33Å; L84-Q119 PolarHBondContact O-NE2 3.48Å; L84-L120 HydrophobicContact CD1-CD2 4.44Å; L84-L120 HydrophobicContact CG-CD2 4.2Å
85G93.1Very high86.2Confident5 Ų543.3 Ų43.35%0.05225%0.252CS..SBendtrans72.617.9-175.200000113.2S83S83-G85 PolarHBondContact O-N 3.03Å; S83-G85 PolarHBondContact OG-N 3.47Å
86C94.1Very high87.9Confident8 Ų839 Ų395%0.05423%0.233CC..  trans-145.4114.7178.5178.30000110.1L84 V88 L89 D90 G339L84-C86 PolarHBondContact O-N 3.18Å; C86-V88 PolarHBondContact O-N 3.15Å; C86-V88 VanDerWaalsContact O-N 3.11Å; C86-L89 HydrophobicContact CB-CB 4.17Å; C86-L89 HydrophobicContact CB-CD1 4.04Å; C86-L89 HydrophobicContact CB-CG 4.09Å; C86-L89 PolarHBondContact O-N 2.94Å; C86-D90 PolarHBondContact O-N 2.61Å; C86-G339 PolarHBondContact SG-N 2.7Å
87P92.9Very high89.7Confident98 Ų9835.6 Ų35.664%0.63621%0.21SC*.Hα-helixtrans-55.6-34.7-176.2-29.235.4000114.7D90 S91P87-D90 PolarHBondContact O-N 3.21Å; P87-S91 WeakPolarHBondContact O-CB 3.42Å; P87-S91 PolarHBondContact O-N 2.89Å
88V93.7Very high91.4Very high27 Ų2734.2 Ų34.216%0.16420%0.199CC..Hα-helixtrans-68.3-41.3179.3-179.10000111.3C86 S91 L92 C328 P341 Q344C86-V88 PolarHBondContact O-N 3.15Å; C86-V88 VanDerWaalsContact O-N 3.11Å; V88-S91 PolarHBondContact O-N 3.45Å; V88-L92 PolarHBondContact O-N 2.88Å; V88-C328 WeakPolarHBondContact CG1-SG 3.08Å; V88-P341 HydrophobicContact CG2-CB 4.5Å; V88-P341 HydrophobicContact CG2-CG 3.93Å; V88-Q344 PolarHBondContact O-NE2 3.13Å
89L94.9Very high92.9Very high1 Ų129.2 Ų29.21%0.00518%0.175CC..Hα-helixtrans-75.7-33176.8-60.7179.7000111.6L84 C86 S91 L92 L93 L116 L315 V337L84-L89 HydrophobicContact CB-CB 4.2Å; L84-L89 HydrophobicContact CD2-CB 3.82Å; L84-L89 HydrophobicContact CD2-CD1 4.34Å; C86-L89 HydrophobicContact CB-CB 4.17Å; C86-L89 HydrophobicContact CB-CD1 4.04Å; C86-L89 HydrophobicContact CB-CG 4.09Å; C86-L89 PolarHBondContact O-N 2.94Å; L89-S91 VanDerWaalsContact C-N 3.32Å; L89-L92 WeakPolarHBondContact O-CB 3.3Å; L89-L92 PolarHBondContact O-N 3.47Å; L89-L93 PolarHBondContact O-N 3.08Å; L89-L116 HydrophobicContact CD1-CD1 4.46Å; L89-L315 HydrophobicContact CD2-CD2 4.23Å; L89-V337 HydrophobicContact CD1-CG1 4.02Å
90D95.1Very high93.9Very high23 Ų2327 Ų2712%0.12317%0.167CC..Hα-helixtrans-63.2-41.8171.9-69.1-26000110.6S83 L84 C86 P87 L92 L93 C94 G95S83-D90 WeakPolarHBondContact CA-OD1 3.44Å; S83-D90 WeakPolarHBondContact CB-OD2 3.08Å; S83-D90 VanDerWaalsContact OG-CG 3.31Å; S83-D90 PolarHBondContact OG-OD1 3.09Å; S83-D90 PolarHBondContact OG-OD2 3.49Å; L84-D90 PolarHBondContact N-OD1 3.23Å; C86-D90 PolarHBondContact O-N 2.61Å; P87-D90 PolarHBondContact O-N 3.21Å; D90-L92 VanDerWaalsContact C-N 3.31Å; D90-L92 PolarHBondContact O-N 2.97Å; D90-L93 CarbonylContact O-C 3.55Å; D90-L93 PolarHBondContact O-N 2.86Å; D90-L93 VanDerWaalsContact O-N 3.09Å; D90-C94 PolarHBondContact O-N 2.72Å; D90-G95 PolarHBondContact O-N 3.04Å
91S93.4Very high94.2Very high68 Ų6824.4 Ų24.448%0.47616%0.157SC..Hα-helixtrans-60.6-38.6174.3-179.80000112.4P87 V88 L89 L93 C94 Q344P87-S91 WeakPolarHBondContact O-CB 3.42Å; P87-S91 PolarHBondContact O-N 2.89Å; V88-S91 PolarHBondContact O-N 3.45Å; L89-S91 VanDerWaalsContact C-N 3.32Å; S91-L93 PolarHBondContact O-N 3.06Å; S91-C94 PolarHBondContact O-N 3.09Å; S91-Q344 PolarHBondContact OG-NE2 2.9Å; S91-Q344 VanDerWaalsContact OG-NE2 3.16Å
92L93.5Very high94.4Very high8 Ų822 Ų224%0.04215%0.148CC..Hα-helixtrans-59.6-35.7174.6178.170.5000111.7V88 L89 D90 L315 V317 S326 C328V88-L92 PolarHBondContact O-N 2.88Å; L89-L92 WeakPolarHBondContact O-CB 3.3Å; L89-L92 PolarHBondContact O-N 3.47Å; D90-L92 VanDerWaalsContact C-N 3.31Å; D90-L92 PolarHBondContact O-N 2.97Å; L92-L315 HydrophobicContact CD2-CB 4.25Å; L92-L315 HydrophobicContact CD2-CD2 3.97Å; L92-L315 HydrophobicContact CD2-CG 4.09Å; L92-V317 HydrophobicContact CD1-CG2 4.27Å; L92-V317 HydrophobicContact CG-CG2 4.18Å; L92-S326 WeakPolarHBondContact CD1-OG 3.25Å; L92-C328 HydrophobicContact CB-CB 4.44Å; L92-C328 HydrophobicContact CD1-CB 4.18Å; L92-C328 HydrophobicContact CD2-CB 3.96Å; L92-C328 HydrophobicContact CG-CB 4.42Å
93L93.4Very high94.4Very high3 Ų322 Ų222%0.01615%0.148CC..THydrogen-bonded Turntrans-106.820.7-175.8-56.3-179000113.4L84 L89 D90 S91 G95 G96 L97 L296 V317 L323L84-L93 HydrophobicContact CD1-CD1 3.78Å; L84-L93 HydrophobicContact CD2-CD1 3.79Å; L84-L93 HydrophobicContact CG-CD1 4.48Å; L89-L93 PolarHBondContact O-N 3.08Å; D90-L93 CarbonylContact O-C 3.55Å; D90-L93 PolarHBondContact O-N 2.86Å; D90-L93 VanDerWaalsContact O-N 3.09Å; S91-L93 PolarHBondContact O-N 3.06Å; L93-G95 VanDerWaalsContact C-N 3.27Å; L93-G95 PolarHBondContact O-N 2.94Å; L93-G96 PolarHBondContact O-N 3.47Å; L93-L97 HydrophobicContact CD1-CD2 3.94Å; L93-L296 HydrophobicContact CD1-CD1 3.96Å; L93-L296 HydrophobicContact CD2-CD1 4.38Å; L93-L296 HydrophobicContact CD2-CD2 3.69Å; L93-V317 HydrophobicContact CD2-CG2 3.77Å; L93-L323 HydrophobicContact CD2-CD1 3.81Å
94C90.9Very high94.5Very high89 Ų8921.6 Ų21.660%0.60115%0.146SC*.THydrogen-bonded Turntrans47.644.9-177.7-63.10000114.1D90 S91 L323D90-C94 PolarHBondContact O-N 2.72Å; S91-C94 PolarHBondContact O-N 3.09Å; C94-L323 HydrophobicContact CB-CD2 3.78Å; C94-L323 WeakPolarHBondContact SG-CD2 3.32Å
95G91Very high94.5Very high36 Ų3621.6 Ų21.637%0.37115%0.146SC..THydrogen-bonded Turntrans112.2-5176.900000115R81 D90 L93R81-G95 VanDerWaalsContact CB-O 3.27Å; R81-G95 WeakPolarHBondContact CB-O 3.26Å; D90-G95 PolarHBondContact O-N 3.04Å; L93-G95 VanDerWaalsContact C-N 3.27Å; L93-G95 PolarHBondContact O-N 2.94Å
96G95.3Very high94.7Very high0 Ų021.4 Ų21.40%014%0.143CC..SBendtrans122.2-151.1171.400000114R81 L82 L93R81-G96 WeakPolarHBondContact CD-O 3.27Å; L82-G96 CarbonylContact O-C 3.38Å; L82-G96 WeakPolarHBondContact O-CA 3.5Å; L93-G96 PolarHBondContact O-N 3.47Å
97L96.6Very high94.7Very high3 Ų321 Ų212%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-77.1131-177.4-60.7-168.3000112R81 L82 L84 L93 T103 L120 P252R81-L97 CarbonylContact C-O 3.58Å; R81-L97 WeakPolarHBondContact CA-O 3.38Å; R81-L97 WeakPolarHBondContact CD-O 3.43Å; L82-L97 HydrophobicContact CB-CB 4.43Å; L82-L97 PolarHBondContact N-O 3.4Å; L82-L97 PolarHBondContact O-N 3.48Å; L84-L97 HydrophobicContact CD1-CD2 4.05Å; L84-L97 HydrophobicContact CD1-CG 3.96Å; L93-L97 HydrophobicContact CD1-CD2 3.94Å; L97-T103 HydrophobicContact CD2-CG2 3.89Å; L97-L120 HydrophobicContact CD1-CD1 3.69Å; L97-L120 HydrophobicContact CD1-CD2 4.1Å; L97-L120 HydrophobicContact CG-CD2 4.42Å; L97-P252 HydrophobicContact CB-CB 4.31Å
98P94.8Very high94.6Very high6 Ų621 Ų214%0.03913%0.128CC..EExtended strand (participates in β ladder)trans-53.7138.1169.1-24.834.6000112.4D100 P252 L293 V294P98-D100 VanDerWaalsContact C-N 3.28Å; P98-P252 WeakPolarHBondContact O-CB 3.49Å; P98-L293 HydrophobicContact CB-CD2 3.77Å; P98-L293 HydrophobicContact CG-CD2 3.95Å; P98-V294 HydrophobicContact CG-CG2 3.99Å
99L94.4Very high94.3Very high2 Ų224.5 Ų24.51%0.0115%0.153CC..SBendtrans-78-14.4175.8-56.6-164000113.8Q80 L82 L133 S246 Q250 S251 P252Q80-L99 HydrophobicContact CB-CD1 3.41Å; Q80-L99 VanDerWaalsContact CB-CD1 3.41Å; Q80-L99 HydrophobicContact CB-CG 3.85Å; Q80-L99 HydrophobicContact CG-CD1 4.45Å; L82-L99 HydrophobicContact CB-CD2 4.07Å; L99-L133 HydrophobicContact CD1-CD2 3.78Å; L99-L133 HydrophobicContact CD2-CD1 3.75Å; L99-L133 HydrophobicContact CD2-CD2 3.95Å; L99-L133 HydrophobicContact CD2-CG 4.42Å; L99-S246 PolarHBondContact O-OG 3.11Å; L99-Q250 HydrophobicContact CB-CB 4.44Å; L99-Q250 CarbonylContact O-C 3.37Å; L99-S251 CarbonylContact O-C 3.55Å; L99-S251 VanDerWaalsContact O-C 3.29Å; L99-S251 PolarHBondContact O-N 3.2Å; L99-S251 VanDerWaalsContact O-N 3.1Å; L99-P252 HydrophobicContact CD2-CG 4.07Å
100D91.6Very high94.1Very high66 Ų6628.3 Ų28.335%0.35318%0.18SC..SBendtrans-121.5122.1176.7-169.30.6000108.7P98 S246 S247 L293P98-D100 VanDerWaalsContact C-N 3.28Å; D100-S246 WeakPolarHBondContact CA-OG 3.48Å; D100-S247 WeakPolarHBondContact OD1-CA 3.38Å; D100-S247 WeakPolarHBondContact OD1-CB 3.18Å; D100-S247 PolarHBondContact OD2-OG 3.23Å; D100-L293 WeakPolarHBondContact O-CD2 3.46Å
101G93.3Very high94Very high9 Ų927.4 Ų27.49%0.09318%0.175CC..SBendtrans111.9172.7-179.700000114.2S246G101-S246 PolarHBondContact N-OG 3.2Å; G101-S246 PolarHBondContact O-OG 3.43Å
102I98.1Very high94Very high0 Ų024.8 Ų24.80%016%0.159CC..EExtended strand (participates in β ladder)trans-100.3125.7-178.7-54.2174.2000108.7L242 R243 V253 C255 W288 L292 L293 V294I102-L242 HydrophobicContact CD1-CB 3.67Å; I102-L242 HydrophobicContact CD1-CD1 4.31Å; I102-L242 HydrophobicContact CG1-CB 4.12Å; I102-R243 HydrophobicContact CD1-CG 3.94Å; I102-R243 HydrophobicContact CG1-CG 4.07Å; I102-V253 HydrophobicContact CG1-CB 4.47Å; I102-V253 HydrophobicContact CG1-CG1 4.47Å; I102-V253 HydrophobicContact CG2-CG1 4.25Å; I102-C255 HydrophobicContact CG2-CB 4.42Å; I102-W288 HydrophobicContact CD1-CH2 4.38Å; I102-W288 HydrophobicContact CG2-CH2 4.37Å; I102-W288 HydrophobicContact CG2-CZ2 4.21Å; I102-L292 HydrophobicContact CB-CD2 4.06Å; I102-L292 HydrophobicContact CG2-CD2 3.58Å; I102-L293 PolarHBondContact O-N 3.2Å; I102-V294 PolarHBondContact O-N 2.83Å
103T98.4Very high94.1Very high0 Ų025.2 Ų25.20%016%0.161CC..EExtended strand (participates in β ladder)trans-98.5124.1166.9-59.40000109.3L97 V253 L254 C255 V294 L296L97-T103 HydrophobicContact CD2-CG2 3.89Å; T103-V253 PolarHBondContact N-O 2.7Å; T103-L254 HydrophobicContact CG2-CD1 4.06Å; T103-L254 WeakPolarHBondContact O-CA 3.49Å; T103-C255 PolarHBondContact O-N 3.29Å; T103-V294 CarbonylContact C-O 3.52Å; T103-V294 WeakPolarHBondContact CA-O 3.45Å; T103-V294 HydrophobicContact CG2-CB 4.05Å; T103-V294 HydrophobicContact CG2-CG1 4.03Å; T103-L296 HydrophobicContact CG2-CD1 4.17Å; T103-L296 HydrophobicContact CG2-CG 4.32Å
104E98.3Very high94.3Very high0 Ų027.3 Ų27.30%017%0.174CC..EExtended strand (participates in β ladder)trans-96.6133.7168.8-179.9174.9-118.900110.8A106 C255 N257 W288 L292 V294 R295 L296E104-A106 HydrophobicContact CG-CB 4.42Å; E104-C255 WeakPolarHBondContact CA-O 3.33Å; E104-N257 HydrophobicContact CG-CB 3.93Å; E104-N257 VanDerWaalsContact OE1-CB 3.25Å; E104-N257 WeakPolarHBondContact OE1-CB 3.31Å; E104-N257 PolarHBondContact OE1-ND2 3.21Å; E104-W288 PolarHBondContact OE1-NE1 2.8Å; E104-L292 HydrophobicContact CB-CD1 3.6Å; E104-L292 HydrophobicContact CB-CD2 3.86Å; E104-L292 HydrophobicContact CB-CG 4.34Å; E104-L292 HydrophobicContact CG-CD1 4.27Å; E104-L292 WeakPolarHBondContact OE2-CD1 3.34Å; E104-V294 PolarHBondContact N-O 2.96Å; E104-R295 IonicContact OE2-CZ 3.92Å; E104-R295 IonicContact OE2-NE 2.72Å; E104-R295 PolarHBondContact OE2-NE 2.85Å; E104-R295 IonicContact OE2-NH2 3.92Å; E104-R295 PolarHBondContact OE2-NH2 3.31Å; E104-L296 PolarHBondContact O-N 2.64Å
105L97.9Very high94.6Very high2 Ų225 Ų251%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-111.499.5166.3179.861.6000109K113 L116 L254 C255 N257 L296 A298 L315L105-K113 HydrophobicContact CD2-CB 3.84Å; L105-K113 HydrophobicContact CD2-CG 4.17Å; L105-K113 HydrophobicContact CG-CB 4.22Å; L105-K113 HydrophobicContact CG-CD 4.41Å; L105-K113 HydrophobicContact CG-CG 4.08Å; L105-L116 HydrophobicContact CD2-CB 4.28Å; L105-L116 HydrophobicContact CD2-CD2 3.93Å; L105-L254 HydrophobicContact CB-CD1 3.99Å; L105-C255 PolarHBondContact N-O 3.19Å; L105-N257 PolarHBondContact O-N 3.21Å; L105-L296 HydrophobicContact CD1-CB 3.95Å; L105-A298 HydrophobicContact CD1-CB 4.01Å; L105-L315 HydrophobicContact CD1-CD1 3.71Å
106A96.3Very high94.9Very high0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans-94.4154177.300000111.2E104 N257 V259 P282 L296 L297 A298E104-A106 HydrophobicContact CG-CB 4.42Å; A106-N257 WeakPolarHBondContact CA-O 3.44Å; A106-N257 HydrophobicContact CB-CB 4.39Å; A106-V259 HydrophobicContact CB-CG1 4.41Å; A106-P282 HydrophobicContact CB-CB 4.21Å; A106-P282 HydrophobicContact CB-CG 3.97Å; A106-L296 PolarHBondContact N-O 2.81Å; A106-L297 HydrophobicContact CB-CD1 4.26Å; A106-L297 WeakPolarHBondContact O-CA 3.32Å; A106-A298 PolarHBondContact O-N 3.34Å
107G94.1Very high95.1Very high0 Ų023.9 Ų23.90%014%0.139CC..EExtended strand (participates in β ladder)trans163.6165.8171.400000113.1K113 N257 A298G107-K113 PolarHBondContact O-NZ 3.28Å; G107-N257 PolarHBondContact N-O 3.12Å; G107-A298 WeakPolarHBondContact CA-O 3.49Å
108R90.8Very high95.1Very high99 Ų9923.7 Ų23.737%0.37414%0.139SC..  trans-61.7167.1176.1-67.4-179.8178.7-115.4-4111.4V111 K113 V259 E261R108-V111 HydrophobicContact CB-CG1 4.22Å; R108-V111 WeakPolarHBondContact O-CG2 3.5Å; R108-K113 PolarHBondContact O-NZ 3.47Å; R108-V259 HydrophobicContact CB-CG2 4.18Å; R108-V259 HydrophobicContact CG-CG2 3.37Å; R108-E261 IonicContact CZ-OE1 3.48Å; R108-E261 IonicContact NH1-OE1 2.69Å; R108-E261 PolarHBondContact NH1-OE1 2.81Å; R108-E261 IonicContact NH2-OE1 3.35Å; R108-E261 PolarHBondContact NH2-OE1 3.3Å
109S88.8Confident95.3Very high99 Ų9923.6 Ų23.669%0.69214%0.138SC*.THydrogen-bonded Turntrans-57.6153.1170.8-174.10000110.7V111S109-V111 PolarHBondContact O-N 3.13Å; S109-V111 VanDerWaalsContact O-N 3.13Å
110S89.2Confident95.5Very high82 Ų8223.6 Ų23.657%0.57314%0.137SC*.THydrogen-bonded Turntrans64.512.6174.8-57.40000117.5G112S110-G112 VanDerWaalsContact C-N 3.31Å
111V93.1Very high95.8Very high3 Ų320.4 Ų20.42%0.01812%0.121CC..SBendtrans-82.1-7.3170.6-54.40000113R108 S109 K113 A298 R300 R313 Y330R108-V111 HydrophobicContact CB-CG1 4.22Å; R108-V111 WeakPolarHBondContact O-CG2 3.5Å; S109-V111 PolarHBondContact O-N 3.13Å; S109-V111 VanDerWaalsContact O-N 3.13Å; V111-K113 HydrophobicContact CG2-CD 4.15Å; V111-K113 HydrophobicContact CG2-CG 3.58Å; V111-A298 HydrophobicContact CB-CB 4.12Å; V111-A298 HydrophobicContact CG2-CB 3.57Å; V111-A298 WeakPolarHBondContact CG2-O 3.43Å; V111-R300 HydrophobicContact CG1-CB 4.11Å; V111-R313 WeakPolarHBondContact O-CD 3.47Å; V111-Y330 PolarHBondContact O-OH 3.36Å
112G94.2Very high96Very high13 Ų1320 Ų2013%0.13412%0.116CC..SBendtrans93.423174.400000116.5S110 T114 Q115 L116 I332S110-G112 VanDerWaalsContact C-N 3.31Å; G112-T114 PolarHBondContact O-N 3.36Å; G112-Q115 VanDerWaalsContact O-CB 3.29Å; G112-Q115 WeakPolarHBondContact O-CB 3.39Å; G112-Q115 PolarHBondContact O-N 2.88Å; G112-L116 PolarHBondContact O-N 3.27Å; G112-L116 VanDerWaalsContact O-N 3.14Å; G112-I332 VanDerWaalsContact CA-CD1 3.49Å
113K96.6Very high95.9Very high18 Ų1820.1 Ų20.18%0.07812%0.117CC..Hα-helixtrans-55-52177.9-54.2-173.7-63.6-80.90112.4L105 G107 R108 V111 Q115 L116 A117 I256 N257 A298L105-K113 HydrophobicContact CD2-CB 3.84Å; L105-K113 HydrophobicContact CD2-CG 4.17Å; L105-K113 HydrophobicContact CG-CB 4.22Å; L105-K113 HydrophobicContact CG-CD 4.41Å; L105-K113 HydrophobicContact CG-CG 4.08Å; G107-K113 PolarHBondContact O-NZ 3.28Å; R108-K113 PolarHBondContact O-NZ 3.47Å; V111-K113 HydrophobicContact CG2-CD 4.15Å; V111-K113 HydrophobicContact CG2-CG 3.58Å; K113-Q115 PolarHBondContact O-N 3.17Å; K113-L116 PolarHBondContact O-N 3.39Å; K113-A117 PolarHBondContact O-N 3.36Å; K113-I256 HydrophobicContact CB-CD1 4.14Å; K113-I256 HydrophobicContact CB-CG1 4.26Å; K113-I256 HydrophobicContact CB-CG2 3.89Å; K113-I256 HydrophobicContact CD-CG2 3.91Å; K113-N257 WeakPolarHBondContact CD-O 3.46Å; K113-N257 VanDerWaalsContact CE-O 3.29Å; K113-N257 WeakPolarHBondContact CE-O 3.49Å; K113-A298 HydrophobicContact CG-CB 4.49Å
114T96.9Very high95.9Very high46 Ų4620.1 Ų20.128%0.28212%0.117SC..Hα-helixtrans-59.6-32.1174.9-52.90000112.5G112 A117 L118 P147 D213G112-T114 PolarHBondContact O-N 3.36Å; T114-A117 PolarHBondContact O-N 3.38Å; T114-L118 HydrophobicContact CG2-CD1 4.27Å; T114-L118 HydrophobicContact CG2-CG 4.43Å; T114-L118 VanDerWaalsContact O-CG 3.24Å; T114-L118 WeakPolarHBondContact O-CG 3.39Å; T114-L118 PolarHBondContact O-N 3.23Å; T114-P147 HydrophobicContact CG2-CG 3.92Å; T114-D213 WeakPolarHBondContact CB-OD2 3.43Å; T114-D213 WeakPolarHBondContact CG2-OD2 3.46Å; T114-D213 PolarHBondContact OG1-OD2 3Å
115Q97.3Very high95.8Very high41 Ų4120.6 Ų20.619%0.19212%0.119CC..Hα-helixtrans-66-43.7177.2-59.8-67.1-41.600111.5G112 K113 Q119 R150 I332 V337G112-Q115 VanDerWaalsContact O-CB 3.29Å; G112-Q115 WeakPolarHBondContact O-CB 3.39Å; G112-Q115 PolarHBondContact O-N 2.88Å; K113-Q115 PolarHBondContact O-N 3.17Å; Q115-Q119 WeakPolarHBondContact O-CB 3.14Å; Q115-Q119 PolarHBondContact O-N 3.34Å; Q115-Q119 VanDerWaalsContact O-N 3.08Å; Q115-R150 VanDerWaalsContact OE1-CZ 3.25Å; Q115-I332 HydrophobicContact CB-CD1 4.44Å; Q115-I332 HydrophobicContact CB-CG2 4.28Å; Q115-I332 HydrophobicContact CG-CD1 4.24Å; Q115-I332 HydrophobicContact CG-CG2 3.94Å; Q115-V337 HydrophobicContact CB-CG2 3.69Å
116L97.9Very high95.7Very high12 Ų1220.5 Ų20.56%0.06312%0.119CC..Hα-helixtrans-67.6-38.9176.5-173.761000111.4L84 L89 L105 G112 K113 Q119 L120 V337L84-L116 HydrophobicContact CB-CD1 4.48Å; L84-L116 HydrophobicContact CD2-CD1 4.13Å; L84-L116 HydrophobicContact CD2-CD2 4.28Å; L84-L116 HydrophobicContact CG-CD1 4.33Å; L89-L116 HydrophobicContact CD1-CD1 4.46Å; L105-L116 HydrophobicContact CD2-CB 4.28Å; L105-L116 HydrophobicContact CD2-CD2 3.93Å; G112-L116 PolarHBondContact O-N 3.27Å; G112-L116 VanDerWaalsContact O-N 3.14Å; K113-L116 PolarHBondContact O-N 3.39Å; L116-Q119 WeakPolarHBondContact O-CB 3.27Å; L116-Q119 PolarHBondContact O-N 3.33Å; L116-L120 HydrophobicContact CG-CD1 4.32Å; L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 2.82Å; L116-V337 HydrophobicContact CB-CG2 4.27Å; L116-V337 HydrophobicContact CD1-CB 4.35Å; L116-V337 HydrophobicContact CD1-CG1 4.41Å
117A98.3Very high95.6Very high0 Ų021.4 Ų21.40%013%0.125CC..Hα-helixtrans-61.6-46.9175.300000113K113 T114 Q119 L120 C121 Y139 V211 L254 I256K113-A117 PolarHBondContact O-N 3.36Å; T114-A117 PolarHBondContact O-N 3.38Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-Q119 PolarHBondContact O-N 3.14Å; A117-L120 PolarHBondContact O-N 3.16Å; A117-C121 PolarHBondContact O-N 3.1Å; A117-C121 PolarHBondContact O-SG 3.07Å; A117-C121 VanDerWaalsContact O-SG 3.33Å; A117-Y139 HydrophobicContact CB-CE2 4Å; A117-V211 HydrophobicContact CB-CG1 3.86Å; A117-L254 HydrophobicContact CB-CD2 3.95Å; A117-I256 HydrophobicContact CB-CD1 3.7Å
118L98Very high95.6Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-61.5-39.8175.5-66.4169.6000112T114 L120 C121 L122 Y139 F146 P147 R150 L151 L154T114-L118 HydrophobicContact CG2-CD1 4.27Å; T114-L118 HydrophobicContact CG2-CG 4.43Å; T114-L118 VanDerWaalsContact O-CG 3.24Å; T114-L118 WeakPolarHBondContact O-CG 3.39Å; T114-L118 PolarHBondContact O-N 3.23Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.16Å; L118-C121 WeakPolarHBondContact O-CB 3.49Å; L118-C121 PolarHBondContact O-N 3.46Å; L118-L122 PolarHBondContact O-N 2.78Å; L118-Y139 HydrophobicContact CD2-CE2 4.17Å; L118-F146 HydrophobicContact CD2-CE2 3.75Å; L118-F146 HydrophobicContact CD2-CZ 3.64Å; L118-P147 HydrophobicContact CD1-CB 4.32Å; L118-P147 HydrophobicContact CD1-CG 3.66Å; L118-P147 HydrophobicContact CD2-CG 3.86Å; L118-P147 HydrophobicContact CG-CG 4.17Å; L118-R150 HydrophobicContact CD1-CB 4.32Å; L118-R150 HydrophobicContact CD1-CG 3.99Å; L118-L151 HydrophobicContact CD2-CB 4.41Å; L118-L151 HydrophobicContact CD2-CD1 4.28Å; L118-L154 HydrophobicContact CB-CD1 3.67Å; L118-L154 HydrophobicContact CD1-CD1 4.22Å
119Q97.9Very high95.7Very high4 Ų429.6 Ų29.62%0.01916%0.162CC..Hα-helixtrans-61.7-41.5175.3-179.8162.8-5200111.8L84 Q115 L116 A117 C121 L122 A123 L161 V337L84-Q119 PolarHBondContact O-NE2 3.48Å; Q115-Q119 WeakPolarHBondContact O-CB 3.14Å; Q115-Q119 PolarHBondContact O-N 3.34Å; Q115-Q119 VanDerWaalsContact O-N 3.08Å; L116-Q119 WeakPolarHBondContact O-CB 3.27Å; L116-Q119 PolarHBondContact O-N 3.33Å; A117-Q119 VanDerWaalsContact C-N 3.3Å; A117-Q119 PolarHBondContact O-N 3.14Å; Q119-C121 VanDerWaalsContact C-N 3.34Å; Q119-C121 PolarHBondContact O-N 3.31Å; Q119-L122 WeakPolarHBondContact O-CB 3.15Å; Q119-L122 PolarHBondContact O-N 2.91Å; Q119-L122 VanDerWaalsContact O-N 3.12Å; Q119-A123 WeakPolarHBondContact O-CB 3.28Å; Q119-A123 PolarHBondContact O-N 3.22Å; Q119-L161 HydrophobicContact CG-CD2 4.21Å; Q119-V337 PolarHBondContact NE2-O 3.2Å; Q119-V337 PolarHBondContact OE1-O 3.29Å
120L98.3Very high95.9Very high1 Ų126.3 Ų26.31%0.00514%0.136CC..Hα-helixtrans-64.9-35.4175.4-75.7163.7000112.7L82 L84 L97 L116 A117 L118 L122 A123 V124 L209 L254L82-L120 HydrophobicContact CD2-CD2 4.03Å; L82-L120 HydrophobicContact CG-CD2 4.17Å; L84-L120 HydrophobicContact CD1-CD2 4.44Å; L84-L120 HydrophobicContact CG-CD2 4.2Å; L97-L120 HydrophobicContact CD1-CD1 3.69Å; L97-L120 HydrophobicContact CD1-CD2 4.1Å; L97-L120 HydrophobicContact CG-CD2 4.42Å; L116-L120 HydrophobicContact CG-CD1 4.32Å; L116-L120 WeakPolarHBondContact O-CG 3.34Å; L116-L120 PolarHBondContact O-N 2.82Å; A117-L120 PolarHBondContact O-N 3.16Å; L118-L120 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.16Å; L120-L122 PolarHBondContact O-N 3.46Å; L120-A123 PolarHBondContact O-N 3.42Å; L120-V124 PolarHBondContact O-N 3.42Å; L120-L209 VanDerWaalsContact C-CD2 3.48Å; L120-L209 HydrophobicContact CB-CD2 3.8Å; L120-L209 WeakPolarHBondContact O-CD2 3.41Å; L120-L254 HydrophobicContact CD1-CD2 3.67Å
121C98.3Very high96.2Very high0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-61.8-26.9172.7-65.50000113.3A117 L118 Q119 V124 Q125 A137 I179A117-C121 PolarHBondContact O-N 3.1Å; A117-C121 PolarHBondContact O-SG 3.07Å; A117-C121 VanDerWaalsContact O-SG 3.33Å; L118-C121 WeakPolarHBondContact O-CB 3.49Å; L118-C121 PolarHBondContact O-N 3.46Å; Q119-C121 VanDerWaalsContact C-N 3.34Å; Q119-C121 PolarHBondContact O-N 3.31Å; C121-V124 WeakPolarHBondContact O-CG1 3.48Å; C121-Q125 PolarHBondContact O-NE2 3.29Å; C121-A137 HydrophobicContact CB-CB 3.92Å; C121-I179 HydrophobicContact CB-CD1 3.95Å; C121-I179 HydrophobicContact CB-CG1 4.3Å
122L97.4Very high96.3Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-83.7-42.4171.3-58.7178.9000111.1L118 Q119 L120 V124 Q125 F126 L151 L154 M155 Q158 F175 I179L118-L122 PolarHBondContact O-N 2.78Å; Q119-L122 WeakPolarHBondContact O-CB 3.15Å; Q119-L122 PolarHBondContact O-N 2.91Å; Q119-L122 VanDerWaalsContact O-N 3.12Å; L120-L122 PolarHBondContact O-N 3.46Å; L122-V124 VanDerWaalsContact C-N 3.33Å; L122-V124 PolarHBondContact O-N 3.16Å; L122-Q125 PolarHBondContact O-N 3.45Å; L122-F126 WeakPolarHBondContact O-CD2 3.22Å; L122-L151 HydrophobicContact CD1-CD1 4.37Å; L122-L151 HydrophobicContact CD2-CD1 3.87Å; L122-L151 HydrophobicContact CG-CD1 4.1Å; L122-L154 HydrophobicContact CD1-CB 3.71Å; L122-M155 HydrophobicContact CD1-CG 4.07Å; L122-M155 HydrophobicContact CD2-CG 3.49Å; L122-M155 VanDerWaalsContact CD2-CG 3.49Å; L122-M155 HydrophobicContact CD2-SD 4.39Å; L122-M155 HydrophobicContact CG-CG 4.46Å; L122-Q158 HydrophobicContact CD1-CG 4.31Å; L122-F175 HydrophobicContact CB-CD1 4.21Å; L122-F175 HydrophobicContact CB-CE1 4.49Å; L122-F175 HydrophobicContact CD2-CB 3.74Å; L122-F175 HydrophobicContact CD2-CD1 3.88Å; L122-F175 HydrophobicContact CD2-CG 4.04Å; L122-I179 HydrophobicContact CD2-CD1 4.21Å
123A96.9Very high96.4Very high2 Ų223.2 Ų23.22%0.01712%0.115CC..Hα-helixtrans-59.7-39.3-178.100000113L82 S83 Q119 L120 Q125 F126 G132L82-A123 HydrophobicContact CD1-CB 4.43Å; S83-A123 WeakPolarHBondContact O-CB 3.38Å; Q119-A123 WeakPolarHBondContact O-CB 3.28Å; Q119-A123 PolarHBondContact O-N 3.22Å; L120-A123 PolarHBondContact O-N 3.42Å; A123-Q125 PolarHBondContact O-N 2.85Å; A123-Q125 VanDerWaalsContact O-N 3.16Å; A123-F126 WeakPolarHBondContact O-CD2 3.37Å; A123-F126 PolarHBondContact O-N 3.48Å; A123-G132 VanDerWaalsContact O-CA 3.27Å; A123-G132 WeakPolarHBondContact O-CA 3.36Å
124V97.4Very high96.3Very high0 Ų028.3 Ų28.30%014%0.139CC..THydrogen-bonded Turntrans-62.4-24-179.168.20000113.6L82 L120 C121 L122 F126 L133 E134 A135 A137 R208 L209L82-V124 HydrophobicContact CD1-CB 3.95Å; L82-V124 HydrophobicContact CD1-CG2 4.29Å; L82-V124 HydrophobicContact CD2-CB 4.13Å; L82-V124 HydrophobicContact CD2-CG2 4.39Å; L120-V124 PolarHBondContact O-N 3.42Å; C121-V124 WeakPolarHBondContact O-CG1 3.48Å; L122-V124 VanDerWaalsContact C-N 3.33Å; L122-V124 PolarHBondContact O-N 3.16Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 3.31Å; V124-L133 HydrophobicContact CG2-CB 3.89Å; V124-L133 HydrophobicContact CG2-CD1 3.95Å; V124-L133 HydrophobicContact CG2-CG 4.16Å; V124-L133 CarbonylContact O-C 3.5Å; V124-L133 PolarHBondContact O-N 2.82Å; V124-E134 PolarHBondContact O-N 2.79Å; V124-A135 CarbonylContact C-O 3.18Å; V124-A137 HydrophobicContact CG1-CB 4.04Å; V124-R208 HydrophobicContact CG2-CB 4.15Å; V124-L209 HydrophobicContact CB-CB 4.03Å; V124-L209 HydrophobicContact CB-CD2 4.35Å; V124-L209 HydrophobicContact CG1-CB 4.06Å; V124-L209 HydrophobicContact CG1-CD2 4.2Å; V124-L209 HydrophobicContact CG2-CB 3.84Å
125Q96.6Very high96.2Very high11 Ų1126.2 Ų26.25%0.05113%0.127CC..THydrogen-bonded Turntrans-81.1-12.9-177.3-63.9-179.36800113.3C121 L122 A123 A135 L173 F175C121-Q125 PolarHBondContact O-NE2 3.29Å; L122-Q125 PolarHBondContact O-N 3.45Å; A123-Q125 PolarHBondContact O-N 2.85Å; A123-Q125 VanDerWaalsContact O-N 3.16Å; Q125-A135 WeakPolarHBondContact CA-O 3.38Å; Q125-A135 VanDerWaalsContact CG-O 3.28Å; Q125-A135 WeakPolarHBondContact CG-O 3.43Å; Q125-A135 PolarHBondContact N-O 3.01Å; Q125-L173 WeakPolarHBondContact O-CD2 3.49Å; Q125-F175 HydrophobicContact CB-CD1 4.31Å; Q125-F175 PolarHBondContact NE2-O 2.88Å; Q125-F175 PolarHBondContact OE1-O 2.89Å; Q125-F175 VanDerWaalsContact OE1-O 3.07Å
126F95.7Very high96.2Very high0 Ų024.3 Ų24.30%012%0.118CC..SBendtrans-69.8157.3177.1-74-92.9000111.8L122 A123 V124 H130 G132 L133 E134 R162 V165 L170 L173 F175L122-F126 WeakPolarHBondContact O-CD2 3.22Å; A123-F126 WeakPolarHBondContact O-CD2 3.37Å; A123-F126 PolarHBondContact O-N 3.48Å; V124-F126 VanDerWaalsContact C-N 3.32Å; V124-F126 PolarHBondContact O-N 3.31Å; F126-H130 HydrophobicContact CB-CB 4.26Å; F126-H130 HydrophobicContact CD1-CB 4.48Å; F126-G132 CarbonylContact O-C 3.5Å; F126-G132 WeakPolarHBondContact O-CA 3.3Å; F126-L133 PolarHBondContact O-N 2.88Å; F126-L133 VanDerWaalsContact O-N 3.14Å; F126-E134 PolarHBondContact O-N 3.28Å; F126-R162 HydrophobicContact CE1-CG 4.35Å; F126-R162 HydrophobicContact CE2-CG 4.35Å; F126-R162 HydrophobicContact CZ-CB 4.32Å; F126-R162 HydrophobicContact CZ-CG 3.8Å; F126-V165 HydrophobicContact CD1-CG1 4.18Å; F126-V165 HydrophobicContact CD1-CG2 4.04Å; F126-V165 HydrophobicContact CE1-CB 4.29Å; F126-V165 HydrophobicContact CE1-CG1 4Å; F126-V165 HydrophobicContact CE1-CG2 3.88Å; F126-L170 HydrophobicContact CE1-CD2 3.51Å; F126-L170 HydrophobicContact CZ-CD2 3.77Å; F126-L173 HydrophobicContact CD1-CD1 3.65Å; F126-L173 HydrophobicContact CE1-CD1 3.74Å; F126-L173 HydrophobicContact CG-CD1 4.16Å; F126-L173 HydrophobicContact CZ-CD1 4.33Å; F126-F175 HydrophobicContact CD2-CE1 4.14Å; F126-F175 HydrophobicContact CE1-CZ 4.13Å; F126-F175 AromaticContact CE2-CE1 3.53Å; F126-F175 HydrophobicContact CE2-CE1 3.53Å; F126-F175 AromaticContact CE2-CZ 3.86Å; F126-F175 HydrophobicContact CE2-CZ 3.86Å; F126-F175 AromaticContact CZ-CE1 3.74Å; F126-F175 HydrophobicContact CZ-CE1 3.74Å; F126-F175 AromaticContact CZ-CZ 3.53Å; F126-F175 HydrophobicContact CZ-CZ 3.53Å
127P94.7Very high96.3Very high18 Ų1823.7 Ų23.712%0.11712%0.115CC..  trans-55152.5166.7-29.239.1000113.5Q129 H130 G131 G132 E134 L169P127-Q129 VanDerWaalsContact C-N 3.26Å; P127-Q129 HydrophobicContact CB-CG 3.99Å; P127-Q129 PolarHBondContact O-N 2.81Å; P127-H130 CarbonylContact O-C 3.59Å; P127-H130 WeakPolarHBondContact O-CA 3.19Å; P127-H130 PolarHBondContact O-N 2.86Å; P127-G131 PolarHBondContact O-N 3.45Å; P127-G132 PolarHBondContact O-N 2.92Å; P127-G132 VanDerWaalsContact O-N 3.13Å; P127-E134 WeakPolarHBondContact CA-OE1 3.37Å; P127-E134 HydrophobicContact CB-CG 4.38Å; P127-E134 WeakPolarHBondContact CB-OE1 3.39Å; P127-L169 HydrophobicContact CG-CD1 3.98Å; P127-L169 HydrophobicContact CG-CD2 3.74Å; P127-L169 HydrophobicContact CG-CG 4.43Å
128R93.5Very high96.3Very high113 Ų11323.8 Ų23.843%0.42612%0.115SC..G310 helixtrans-58.8-36.9179.8-71.8179.1173.9-93.14113.3H130 G131 G132R128-H130 PolarHBondContact O-N 2.92Å; R128-G131 PolarHBondContact O-N 2.94Å; R128-G132 WeakPolarHBondContact CA-O 3.12Å
129Q92.7Very high96.3Very high159 Ų15923.8 Ų23.874%0.74312%0.115SC*.G310 helixtrans-61.7-20.5174.469.7-173.225.700113.5P127P127-Q129 VanDerWaalsContact C-N 3.26Å; P127-Q129 HydrophobicContact CB-CG 3.99Å; P127-Q129 PolarHBondContact O-N 2.81Å
130H94.2Very high96.3Very high29 Ų2923.6 Ų23.613%0.13411%0.114CC..G310 helixtrans-108.923.3176-64.6-63.9000111.7F126 P127 R128 G132 R162 V165 L169F126-H130 HydrophobicContact CB-CB 4.26Å; F126-H130 HydrophobicContact CD1-CB 4.48Å; P127-H130 CarbonylContact O-C 3.59Å; P127-H130 WeakPolarHBondContact O-CA 3.19Å; P127-H130 PolarHBondContact O-N 2.86Å; R128-H130 PolarHBondContact O-N 2.92Å; H130-G132 VanDerWaalsContact C-N 3.32Å; H130-G132 PolarHBondContact O-N 3.32Å; H130-R162 PolarHBondContact O-NH1 3.3Å; H130-R162 PolarHBondContact O-NH2 3.47Å; H130-V165 HydrophobicContact CB-CG2 4.1Å; H130-L169 VanDerWaalsContact CD2-CD2 3.46Å; H130-L169 WeakPolarHBondContact CD2-CD2 3.03Å
131G93.8Very high96.3Very high21 Ų2123.8 Ų23.822%0.21612%0.116CC..THydrogen-bonded Turntrans76.79173.400000115.8S83 P127 R128S83-G131 WeakPolarHBondContact CB-O 3.19Å; S83-G131 PolarHBondContact N-O 3.37Å; P127-G131 PolarHBondContact O-N 3.45Å; R128-G131 PolarHBondContact O-N 2.94Å
132G96Very high96.1Very high2 Ų224.6 Ų24.62%0.02112%0.121CC..  trans-97.6-168.917300000113.2A123 F126 P127 R128 H130A123-G132 VanDerWaalsContact O-CA 3.27Å; A123-G132 WeakPolarHBondContact O-CA 3.36Å; F126-G132 CarbonylContact O-C 3.5Å; F126-G132 WeakPolarHBondContact O-CA 3.3Å; P127-G132 PolarHBondContact O-N 2.92Å; P127-G132 VanDerWaalsContact O-N 3.13Å; R128-G132 WeakPolarHBondContact CA-O 3.12Å; H130-G132 VanDerWaalsContact C-N 3.32Å; H130-G132 PolarHBondContact O-N 3.32Å
133L95.7Very high95.5Very high10 Ų1028.8 Ų28.85%0.05214%0.14CC..  trans-128.912.3-177.6-57.9176.2000113.2L82 L99 V124 F126 A135 R208 P252L82-L133 HydrophobicContact CB-CD1 4.49Å; L82-L133 HydrophobicContact CD1-CG 4.4Å; L99-L133 HydrophobicContact CD1-CD2 3.78Å; L99-L133 HydrophobicContact CD2-CD1 3.75Å; L99-L133 HydrophobicContact CD2-CD2 3.95Å; L99-L133 HydrophobicContact CD2-CG 4.42Å; V124-L133 HydrophobicContact CG2-CB 3.89Å; V124-L133 HydrophobicContact CG2-CD1 3.95Å; V124-L133 HydrophobicContact CG2-CG 4.16Å; V124-L133 CarbonylContact O-C 3.5Å; V124-L133 PolarHBondContact O-N 2.82Å; F126-L133 PolarHBondContact O-N 2.88Å; F126-L133 VanDerWaalsContact O-N 3.14Å; L133-A135 PolarHBondContact O-N 3.44Å; L133-R208 HydrophobicContact CB-CB 3.91Å; L133-R208 HydrophobicContact CB-CG 4.3Å; L133-R208 HydrophobicContact CD1-CB 3.73Å; L133-R208 HydrophobicContact CG-CB 4.48Å; L133-P252 HydrophobicContact CD1-CG 4.2Å
134E94.8Very high95Very high125 Ų12534.9 Ų34.958%0.58417%0.173SC*.SBendtrans55.433.5177.5-61.9173.3172.500113.6V124 F126 P127V124-E134 PolarHBondContact O-N 2.79Å; F126-E134 PolarHBondContact O-N 3.28Å; P127-E134 WeakPolarHBondContact CA-OE1 3.37Å; P127-E134 HydrophobicContact CB-CG 4.38Å; P127-E134 WeakPolarHBondContact CB-OE1 3.39Å
135A95.8Very high94.8Very high3 Ų338.9 Ų38.93%0.02521%0.206CC..SBendtrans-151170.3-176.900000111.4V124 Q125 L133 R208V124-A135 CarbonylContact C-O 3.18Å; Q125-A135 WeakPolarHBondContact CA-O 3.38Å; Q125-A135 VanDerWaalsContact CG-O 3.28Å; Q125-A135 WeakPolarHBondContact CG-O 3.43Å; Q125-A135 PolarHBondContact N-O 3.01Å; L133-A135 PolarHBondContact O-N 3.44Å; A135-R208 HydrophobicContact CB-CB 3.88Å; A135-R208 HydrophobicContact CB-CG 3.47Å; A135-R208 VanDerWaalsContact CB-CG 3.47Å
136G97.2Very high94.8Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-75-175.3177.900000116.7Q178 M206 A207 R208 L209G136-Q178 CarbonylContact C-O 3.2Å; G136-Q178 WeakPolarHBondContact CA-O 3.41Å; G136-M206 VanDerWaalsContact CA-O 3.3Å; G136-M206 WeakPolarHBondContact CA-O 3.5Å; G136-M206 PolarHBondContact N-O 2.66Å; G136-A207 CarbonylContact O-C 3.29Å; G136-A207 WeakPolarHBondContact O-CA 3.46Å; G136-R208 PolarHBondContact O-N 3.13Å; G136-L209 PolarHBondContact O-N 2.97Å
137A98.4Very high94.8Very high0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-122.8148.3171.400000111C121 V124 Q178 I179 F180 L209C121-A137 HydrophobicContact CB-CB 3.92Å; V124-A137 HydrophobicContact CG1-CB 4.04Å; A137-Q178 PolarHBondContact N-O 3.36Å; A137-I179 WeakPolarHBondContact O-CA 3.32Å; A137-F180 PolarHBondContact O-N 3.33Å; A137-L209 CarbonylContact C-O 3.35Å; A137-L209 WeakPolarHBondContact CA-O 3.43Å; A137-L209 HydrophobicContact CB-CB 4.05Å; A137-L209 HydrophobicContact CB-CD2 4.02Å; A137-L209 HydrophobicContact CB-CG 4.25Å
138V98.6Very high94.9Very high1 Ų145 Ų451%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-101.6125.5162.5-170.70000108.1I140 F180 V198 L201 A207 L209 V210 V211V138-I140 HydrophobicContact CG1-CG1 4.26Å; V138-F180 CarbonylContact C-O 3.52Å; V138-F180 WeakPolarHBondContact CA-O 3.46Å; V138-V198 HydrophobicContact CG1-CG2 4.19Å; V138-L201 HydrophobicContact CG1-CD1 4.41Å; V138-L201 HydrophobicContact CG2-CB 4.24Å; V138-L201 HydrophobicContact CG2-CD1 3.59Å; V138-A207 HydrophobicContact CG2-CB 3.74Å; V138-L209 PolarHBondContact N-O 3.37Å; V138-V210 WeakPolarHBondContact O-CA 3.44Å; V138-V211 PolarHBondContact O-N 3.48Å
139Y98.6Very high95Very high0 Ų047.2 Ų47.20%025%0.248CC..EExtended strand (participates in β ladder)trans-115.9113.3178-158.8-72.5000109.5A117 L118 C141 F146 F180 I181 E182 V211 D213A117-Y139 HydrophobicContact CB-CE2 4Å; L118-Y139 HydrophobicContact CD2-CE2 4.17Å; Y139-C141 VanDerWaalsContact CD1-SG 3.54Å; Y139-F146 AromaticContact CD1-CD2 3.71Å; Y139-F146 HydrophobicContact CD1-CD2 3.71Å; Y139-F146 AromaticContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD2-CD2 4.5Å; Y139-F146 AromaticContact CD2-CE2 3.8Å; Y139-F146 HydrophobicContact CD2-CE2 3.8Å; Y139-F146 HydrophobicContact CE1-CD2 4.04Å; Y139-F146 HydrophobicContact CE1-CE2 4.19Å; Y139-F146 HydrophobicContact CE2-CE2 4.13Å; Y139-F146 AromaticContact CG-CD2 3.97Å; Y139-F146 HydrophobicContact CG-CD2 3.97Å; Y139-F146 AromaticContact CG-CE2 3.63Å; Y139-F146 HydrophobicContact CG-CE2 3.63Å; Y139-F180 PolarHBondContact N-O 3.11Å; Y139-I181 WeakPolarHBondContact O-CA 2.87Å; Y139-E182 PolarHBondContact O-N 3.39Å; Y139-V211 HydrophobicContact CD2-CB 3.88Å; Y139-V211 HydrophobicContact CD2-CG1 3.87Å; Y139-V211 HydrophobicContact CD2-CG2 4.33Å; Y139-V211 HydrophobicContact CE2-CB 4.2Å; Y139-V211 HydrophobicContact CE2-CG1 3.67Å; Y139-V211 HydrophobicContact CG-CB 4.33Å; Y139-V211 HydrophobicContact CG-CG1 4.44Å; Y139-D213 HydrophobicContact CE1-CB 3.54Å; Y139-D213 VanDerWaalsContact OH-CB 3.3Å; Y139-D213 WeakPolarHBondContact OH-CB 3.39Å; Y139-D213 PolarHBondContact OH-OD2 2.88Å
140I98.6Very high95.2Very high0 Ų041.6 Ų41.60%022%0.22CC..EExtended strand (participates in β ladder)trans-100.8109.1179-54.6177.5000108.1V138 T142 E182 V184 L190 V194 V198 V211 I212 D213V138-I140 HydrophobicContact CG1-CG1 4.26Å; I140-T142 HydrophobicContact CG2-CG2 4.49Å; I140-E182 CarbonylContact C-O 3.55Å; I140-E182 WeakPolarHBondContact CA-O 3.37Å; I140-E182 HydrophobicContact CG1-CB 4.49Å; I140-V184 HydrophobicContact CG2-CB 4.48Å; I140-V184 HydrophobicContact CG2-CG1 4.09Å; I140-V184 HydrophobicContact CG2-CG2 3.57Å; I140-L190 HydrophobicContact CD1-CD1 4.37Å; I140-L190 HydrophobicContact CG2-CD1 3.92Å; I140-V194 HydrophobicContact CD1-CG2 4.18Å; I140-V198 HydrophobicContact CD1-CG2 4.07Å; I140-V211 PolarHBondContact N-O 3.22Å; I140-I212 HydrophobicContact CB-CG1 4.4Å; I140-I212 HydrophobicContact CD1-CG1 4.28Å; I140-D213 PolarHBondContact O-N 3.14Å
141C97.5Very high95.3Very high6 Ų640.8 Ų40.84%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-86.6128.6174.4-70.70000110Y139 E182 H183 V184 D213Y139-C141 VanDerWaalsContact CD1-SG 3.54Å; C141-E182 PolarHBondContact N-O 3.31Å; C141-H183 VanDerWaalsContact CB-CD2 3.43Å; C141-H183 WeakPolarHBondContact CB-CD2 3.36Å; C141-H183 WeakPolarHBondContact CB-NE2 3.5Å; C141-H183 WeakPolarHBondContact O-CA 3.44Å; C141-V184 PolarHBondContact O-N 2.95Å; C141-D213 WeakPolarHBondContact CA-O 3.41Å
142T94.8Very high95.4Very high17 Ų1745.7 Ų45.710%0.10424%0.235CC..SBendtrans-116.8-18.8178.765.50000114.5I140 V184 I212 D213 S214 A217 P218I140-T142 HydrophobicContact CG2-CG2 4.49Å; T142-V184 WeakPolarHBondContact CA-O 3.39Å; T142-V184 HydrophobicContact CG2-CG2 3.7Å; T142-I212 HydrophobicContact CG2-CG2 4.12Å; T142-D213 PolarHBondContact N-O 3.44Å; T142-D213 PolarHBondContact OG1-O 3.49Å; T142-S214 WeakPolarHBondContact CG2-O 3.24Å; T142-S214 PolarHBondContact OG1-N 2.95Å; T142-S214 PolarHBondContact OG1-O 3.01Å; T142-A217 WeakPolarHBondContact OG1-CB 3.47Å; T142-P218 HydrophobicContact CG2-CG 3.91Å
143E85.1Confident95.5Very high87 Ų8749.4 Ų49.441%0.40725%0.251SS..SBendtrans-112.1-70.3-178.2-66.6-179.5107.200110.3S214 A217 R220 Q258E143-S214 VanDerWaalsContact OE2-CB 3.29Å; E143-S214 WeakPolarHBondContact OE2-CB 3.4Å; E143-S214 PolarHBondContact OE2-OG 3.45Å; E143-A217 HydrophobicContact CG-CB 3.2Å; E143-R220 IonicContact OE1-NH2 3.17Å; E143-R220 PolarHBondContact OE1-NH2 3.25Å; E143-R220 IonicContact OE2-NH2 3.35Å; E143-Q258 VanDerWaalsContact CD-NE2 3.28Å; E143-Q258 PolarHBondContact OE1-NE2 2.89Å; E143-Q258 PolarHBondContact OE2-NE2 2.84Å
144D86.4Confident95.5Very high131 Ų13149 Ų4970%0.70125%0.249SC*.SBendtrans-105.1165.1-171.6-69.3-50.7000112.9
145A93.4Very high95.5Very high84 Ų8445.7 Ų45.769%0.69423%0.234SC*.  trans-57.9146.7167.200000111
146F96.4Very high95.4Very high14 Ų1448.9 Ų48.96%0.06126%0.261CS..  trans-60.9130.5-179.4-179.8-98.7000110.9L118 Y139 H148 L151 I179 I181 H183L118-F146 HydrophobicContact CD2-CE2 3.75Å; L118-F146 HydrophobicContact CD2-CZ 3.64Å; Y139-F146 AromaticContact CD1-CD2 3.71Å; Y139-F146 HydrophobicContact CD1-CD2 3.71Å; Y139-F146 AromaticContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD1-CE2 3.84Å; Y139-F146 HydrophobicContact CD2-CD2 4.5Å; Y139-F146 AromaticContact CD2-CE2 3.8Å; Y139-F146 HydrophobicContact CD2-CE2 3.8Å; Y139-F146 HydrophobicContact CE1-CD2 4.04Å; Y139-F146 HydrophobicContact CE1-CE2 4.19Å; Y139-F146 HydrophobicContact CE2-CE2 4.13Å; Y139-F146 AromaticContact CG-CD2 3.97Å; Y139-F146 HydrophobicContact CG-CD2 3.97Å; Y139-F146 AromaticContact CG-CE2 3.63Å; Y139-F146 HydrophobicContact CG-CE2 3.63Å; F146-H148 HydrophobicContact CD1-CB 4.05Å; F146-H148 HydrophobicContact CE1-CB 4.4Å; F146-H148 PolarHBondContact O-N 3.43Å; F146-H148 PolarHBondContact O-ND1 2.79Å; F146-L151 HydrophobicContact CE1-CB 4.23Å; F146-L151 HydrophobicContact CE1-CD2 3.73Å; F146-L151 HydrophobicContact CZ-CB 4.42Å; F146-L151 HydrophobicContact CZ-CD2 3.84Å; F146-I179 HydrophobicContact CZ-CG2 4.33Å; F146-I181 HydrophobicContact CB-CD1 4.24Å; F146-I181 HydrophobicContact CB-CG2 3.77Å; F146-I181 HydrophobicContact CD1-CD1 3.34Å; F146-I181 HydrophobicContact CD1-CG1 4.13Å; F146-I181 HydrophobicContact CD2-CD1 4.15Å; F146-I181 HydrophobicContact CD2-CG1 4.02Å; F146-I181 HydrophobicContact CD2-CG2 4.16Å; F146-I181 HydrophobicContact CE1-CD1 3.62Å; F146-I181 HydrophobicContact CE1-CG1 4.31Å; F146-I181 HydrophobicContact CE2-CD1 4.38Å; F146-I181 HydrophobicContact CE2-CG1 4.22Å; F146-I181 HydrophobicContact CG-CD1 3.64Å; F146-I181 HydrophobicContact CG-CG1 3.98Å; F146-I181 HydrophobicContact CG-CG2 4Å; F146-I181 HydrophobicContact CZ-CD1 4.14Å; F146-I181 HydrophobicContact CZ-CG1 4.35Å; F146-H183 PolarHBondContact N-NE2 3.47Å
147P95.6Very high95.3Very high40 Ų4050.8 Ų50.826%0.2627%0.27SS..  trans-76.760.6-173.833.4-39.9000112.8T114 L118 K149 R150 L151T114-P147 HydrophobicContact CG2-CG 3.92Å; L118-P147 HydrophobicContact CD1-CB 4.32Å; L118-P147 HydrophobicContact CD1-CG 3.66Å; L118-P147 HydrophobicContact CD2-CG 3.86Å; L118-P147 HydrophobicContact CG-CG 4.17Å; P147-K149 PolarHBondContact O-N 2.96Å; P147-R150 HydrophobicContact CB-CB 4.33Å; P147-R150 WeakPolarHBondContact O-CB 3.45Å; P147-R150 PolarHBondContact O-N 3.48Å; P147-R150 VanDerWaalsContact O-N 3.08Å; P147-L151 PolarHBondContact O-N 3.07Å
148H95.3Very high95.1Very high104 Ų10451 Ų5148%0.48127%0.271SS..Hα-helixtrans-58.3-41.5-173.765-83.1000113.9F146 R150 L151 Q152F146-H148 HydrophobicContact CD1-CB 4.05Å; F146-H148 HydrophobicContact CE1-CB 4.4Å; F146-H148 PolarHBondContact O-N 3.43Å; F146-H148 PolarHBondContact O-ND1 2.79Å; H148-R150 PolarHBondContact O-N 3.22Å; H148-L151 WeakPolarHBondContact O-CB 3.33Å; H148-L151 PolarHBondContact O-N 3.35Å; H148-Q152 WeakPolarHBondContact O-CG 3.24Å; H148-Q152 PolarHBondContact O-N 2.74Å
149K96.8Very high94.8Very high158 Ų15854.6 Ų54.669%0.68729%0.294SS*.Hα-helixtrans-59.9-39.5177.7-62.8-172.9179.1176.30111.2P147 Q152 Q153P147-K149 PolarHBondContact O-N 2.96Å; K149-Q152 PolarHBondContact O-N 2.9Å; K149-Q153 PolarHBondContact O-N 3.48Å; K149-Q153 VanDerWaalsContact O-N 3.14Å
150R96.8Very high94.5Very high41 Ų4161.7 Ų61.716%0.15532%0.321CS..Hα-helixtrans-71.9-40.4178.4-176.956.1177.2165.44.6111.4Q115 L118 P147 H148 Q152 Q153 L154 S333 A334Q115-R150 VanDerWaalsContact OE1-CZ 3.25Å; L118-R150 HydrophobicContact CD1-CB 4.32Å; L118-R150 HydrophobicContact CD1-CG 3.99Å; P147-R150 HydrophobicContact CB-CB 4.33Å; P147-R150 WeakPolarHBondContact O-CB 3.45Å; P147-R150 PolarHBondContact O-N 3.48Å; P147-R150 VanDerWaalsContact O-N 3.08Å; H148-R150 PolarHBondContact O-N 3.22Å; R150-Q152 VanDerWaalsContact C-N 3.32Å; R150-Q152 PolarHBondContact O-N 2.76Å; R150-Q153 WeakPolarHBondContact O-CB 3.41Å; R150-Q153 PolarHBondContact O-N 2.9Å; R150-L154 HydrophobicContact CG-CD1 4.48Å; R150-L154 WeakPolarHBondContact O-CG 3.49Å; R150-L154 PolarHBondContact O-N 3.33Å; R150-S333 PolarHBondContact NH2-O 2.93Å; R150-A334 PolarHBondContact NH1-O 3.46Å
151L96.9Very high94.2Very high13 Ų1362.1 Ų62.17%0.06832%0.323CS..Hα-helixtrans-56.3-47.2172.5-17970.2000111.3L118 L122 F146 P147 H148 Q153 L154 M155 I179L118-L151 HydrophobicContact CD2-CB 4.41Å; L118-L151 HydrophobicContact CD2-CD1 4.28Å; L122-L151 HydrophobicContact CD1-CD1 4.37Å; L122-L151 HydrophobicContact CD2-CD1 3.87Å; L122-L151 HydrophobicContact CG-CD1 4.1Å; F146-L151 HydrophobicContact CE1-CB 4.23Å; F146-L151 HydrophobicContact CE1-CD2 3.73Å; F146-L151 HydrophobicContact CZ-CB 4.42Å; F146-L151 HydrophobicContact CZ-CD2 3.84Å; P147-L151 PolarHBondContact O-N 3.07Å; H148-L151 WeakPolarHBondContact O-CB 3.33Å; H148-L151 PolarHBondContact O-N 3.35Å; L151-Q153 VanDerWaalsContact C-N 3.3Å; L151-Q153 PolarHBondContact O-N 2.59Å; L151-L154 PolarHBondContact O-N 2.89Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L151-M155 HydrophobicContact CD2-SD 4.33Å; L151-M155 HydrophobicContact CG-CG 4.43Å; L151-M155 HydrophobicContact CG-SD 4.03Å; L151-M155 WeakPolarHBondContact O-CG 3.45Å; L151-M155 PolarHBondContact O-N 3.21Å; L151-I179 HydrophobicContact CD1-CD1 3.91Å; L151-I179 HydrophobicContact CD2-CD1 3.74Å; L151-I179 HydrophobicContact CG-CD1 4.42Å
152Q95.8Very high93.9Very high124 Ų12462.1 Ų62.158%0.57932%0.322SS*.Hα-helixtrans-59-41.2177.8-72.9175.7-24.500112.2H148 K149 R150 M155 A156H148-Q152 WeakPolarHBondContact O-CG 3.24Å; H148-Q152 PolarHBondContact O-N 2.74Å; K149-Q152 PolarHBondContact O-N 2.9Å; R150-Q152 VanDerWaalsContact C-N 3.32Å; R150-Q152 PolarHBondContact O-N 2.76Å; Q152-M155 PolarHBondContact O-N 3.18Å; Q152-A156 PolarHBondContact O-N 2.87Å
153Q96.9Very high93.7Very high80 Ų8066.9 Ų66.937%0.37435%0.352SS..Hα-helixtrans-61.4-47.1174.1-173.1-176.98.700111.6K149 R150 L151 M155 A156 Q157K149-Q153 PolarHBondContact O-N 3.48Å; K149-Q153 VanDerWaalsContact O-N 3.14Å; R150-Q153 WeakPolarHBondContact O-CB 3.41Å; R150-Q153 PolarHBondContact O-N 2.9Å; L151-Q153 VanDerWaalsContact C-N 3.3Å; L151-Q153 PolarHBondContact O-N 2.59Å; Q153-M155 VanDerWaalsContact C-N 3.32Å; Q153-M155 PolarHBondContact O-N 3.33Å; Q153-A156 PolarHBondContact O-N 3.26Å; Q153-Q157 WeakPolarHBondContact O-CG 3.31Å; Q153-Q157 PolarHBondContact O-N 3.04Å
154L96.3Very high94Very high1 Ų166.6 Ų66.61%0.00535%0.353CS..Hα-helixtrans-63.4-37.3178.4-67.6175.8000112.4L118 L122 R150 L151 Q157 Q158L118-L154 HydrophobicContact CB-CD1 3.67Å; L118-L154 HydrophobicContact CD1-CD1 4.22Å; L122-L154 HydrophobicContact CD1-CB 3.71Å; R150-L154 HydrophobicContact CG-CD1 4.48Å; R150-L154 WeakPolarHBondContact O-CG 3.49Å; R150-L154 PolarHBondContact O-N 3.33Å; L151-L154 PolarHBondContact O-N 2.89Å; L151-L154 VanDerWaalsContact O-N 3.13Å; L154-Q157 PolarHBondContact O-N 3.24Å; L154-Q158 PolarHBondContact O-N 3.44Å; L154-Q158 PolarHBondContact O-NE2 2.75Å
155M94.9Very high94.2Very high55 Ų5560.8 Ų60.827%0.27132%0.322SS..Hα-helixtrans-60.6-47.8173.9-74171.349.200111.3L122 L151 Q152 Q153 Q157 Q158 F175L122-M155 HydrophobicContact CD1-CG 4.07Å; L122-M155 HydrophobicContact CD2-CG 3.49Å; L122-M155 VanDerWaalsContact CD2-CG 3.49Å; L122-M155 HydrophobicContact CD2-SD 4.39Å; L122-M155 HydrophobicContact CG-CG 4.46Å; L151-M155 HydrophobicContact CD2-SD 4.33Å; L151-M155 HydrophobicContact CG-CG 4.43Å; L151-M155 HydrophobicContact CG-SD 4.03Å; L151-M155 WeakPolarHBondContact O-CG 3.45Å; L151-M155 PolarHBondContact O-N 3.21Å; Q152-M155 PolarHBondContact O-N 3.18Å; Q153-M155 VanDerWaalsContact C-N 3.32Å; Q153-M155 PolarHBondContact O-N 3.33Å; M155-Q157 PolarHBondContact O-N 2.79Å; M155-Q158 WeakPolarHBondContact O-CG 3.47Å; M155-Q158 PolarHBondContact O-N 3.41Å; M155-F175 HydrophobicContact CE-CB 3.93Å; M155-F175 HydrophobicContact CG-CB 3.88Å; M155-F175 HydrophobicContact SD-CB 4.11Å
156A94.2Very high94.2Very high71 Ų7160.3 Ų60.359%0.58731%0.312SS*.Hα-helixtrans-63.9-25.6179.600000113.1Q152 Q153Q152-A156 PolarHBondContact O-N 2.87Å; Q153-A156 PolarHBondContact O-N 3.26Å
157Q95.1Very high93.9Very high39 Ų3961.8 Ų61.818%0.18233%0.331CS..THydrogen-bonded Turntrans-96.32.4-178.7-60.5-61.4-40.700114.1Q153 L154 M155 P159 R160 L161 E335Q153-Q157 WeakPolarHBondContact O-CG 3.31Å; Q153-Q157 PolarHBondContact O-N 3.04Å; L154-Q157 PolarHBondContact O-N 3.24Å; M155-Q157 PolarHBondContact O-N 2.79Å; Q157-P159 VanDerWaalsContact C-N 3.31Å; Q157-R160 PolarHBondContact O-N 2.97Å; Q157-R160 VanDerWaalsContact OE1-CD 3.29Å; Q157-L161 PolarHBondContact O-N 2.86Å; Q157-L161 VanDerWaalsContact O-N 3.1Å; Q157-E335 HydrophobicContact CB-CB 4.12Å; Q157-E335 HydrophobicContact CB-CG 4.13Å; Q157-E335 HydrophobicContact CG-CG 4.44Å
158Q93.4Very high93.6Very high5 Ų566.6 Ų66.62%0.02335%0.35CS..Hα-helixtrans-52.8-39.9177.2-71.5-55.9-64.800114.1L122 L154 M155 R160 L161 R162 L170 F175L122-Q158 HydrophobicContact CD1-CG 4.31Å; L154-Q158 PolarHBondContact O-N 3.44Å; L154-Q158 PolarHBondContact O-NE2 2.75Å; M155-Q158 WeakPolarHBondContact O-CG 3.47Å; M155-Q158 PolarHBondContact O-N 3.41Å; Q158-R160 PolarHBondContact O-N 2.86Å; Q158-L161 PolarHBondContact O-N 3.36Å; Q158-R162 WeakPolarHBondContact O-CB 3.48Å; Q158-R162 PolarHBondContact O-N 3.28Å; Q158-L170 HydrophobicContact CB-CD2 4.21Å; Q158-F175 HydrophobicContact CB-CE2 4.37Å; Q158-F175 HydrophobicContact CB-CZ 4.44Å; Q158-F175 HydrophobicContact CG-CE2 4.1Å; Q158-F175 HydrophobicContact CG-CZ 4.07Å
159P92.4Very high93.4Very high77 Ų7763.4 Ų63.450%0.534%0.336SS..Hα-helixtrans-60.5-26.9176.7-24.234.6000114.5Q157 L170Q157-P159 VanDerWaalsContact C-N 3.31Å; P159-L170 HydrophobicContact CB-CD1 4.06Å; P159-L170 HydrophobicContact CG-CD1 4.11Å
160R92.5Very high93Very high148 Ų14856.7 Ų56.756%0.55831%0.308SS*.Hα-helixtrans-84.9-38.9176.4-60.1-170.1-175.8171.5-4.4111.7Q157 Q158 T163 E335 R338Q157-R160 PolarHBondContact O-N 2.97Å; Q157-R160 VanDerWaalsContact OE1-CD 3.29Å; Q158-R160 PolarHBondContact O-N 2.86Å; R160-T163 WeakPolarHBondContact O-CG2 3.37Å; R160-E335 HydrophobicContact CB-CG 4.08Å; R160-E335 WeakPolarHBondContact CB-OE1 3.41Å; R160-E335 WeakPolarHBondContact CD-OE1 3.27Å; R160-R338 VanDerWaalsContact C-NH2 3.33Å; R160-R338 PolarHBondContact O-NH2 3.18Å
161L91.4Very high92.6Very high9 Ų962.9 Ų62.95%0.04734%0.339CS..Hα-helixtrans-69.1-47.1179.6-172.167.7000111.7Q119 Q157 Q158 T163 R338Q119-L161 HydrophobicContact CG-CD2 4.21Å; Q157-L161 PolarHBondContact O-N 2.86Å; Q157-L161 VanDerWaalsContact O-N 3.1Å; Q158-L161 PolarHBondContact O-N 3.36Å; L161-T163 PolarHBondContact O-N 3.26Å; L161-R338 HydrophobicContact CD1-CG 3.75Å
162R91.9Very high92.2Very high6 Ų669.6 Ų69.62%0.02337%0.367CS..  trans-10461-173.2-65.7-59.9-55.5-88.46.4112F126 H130 Q158 D164 V165F126-R162 HydrophobicContact CE1-CG 4.35Å; F126-R162 HydrophobicContact CE2-CG 4.35Å; F126-R162 HydrophobicContact CZ-CB 4.32Å; F126-R162 HydrophobicContact CZ-CG 3.8Å; H130-R162 PolarHBondContact O-NH1 3.3Å; H130-R162 PolarHBondContact O-NH2 3.47Å; Q158-R162 WeakPolarHBondContact O-CB 3.48Å; Q158-R162 PolarHBondContact O-N 3.28Å; R162-D164 VanDerWaalsContact CA-OD1 3.31Å; R162-D164 WeakPolarHBondContact CA-OD1 3.47Å; R162-D164 IonicContact CZ-OD1 3.14Å; R162-D164 IonicContact CZ-OD2 3.22Å; R162-D164 IonicContact NE-OD1 2.82Å; R162-D164 PolarHBondContact NE-OD1 3.02Å; R162-D164 IonicContact NE-OD2 2.65Å; R162-D164 PolarHBondContact NE-OD2 3.33Å; R162-D164 IonicContact NH2-OD1 3.9Å; R162-D164 IonicContact NH2-OD2 3.01Å; R162-D164 PolarHBondContact NH2-OD2 2.82Å; R162-D164 PolarHBondContact O-N 2.84Å; R162-V165 HydrophobicContact CB-CB 4.28Å; R162-V165 HydrophobicContact CB-CG2 3.93Å; R162-V165 VanDerWaalsContact NH2-CG2 3.33Å; R162-V165 PolarHBondContact O-N 3.12Å; R162-V165 VanDerWaalsContact O-N 3.07Å
163T91Very high91.8Very high117 Ų11765.4 Ų65.472%0.71835%0.348SS*.THydrogen-bonded Turntrans-64.1-17.6176.151.60000113.4R160 L161 V165R160-T163 WeakPolarHBondContact O-CG2 3.37Å; L161-T163 PolarHBondContact O-N 3.26Å; T163-V165 VanDerWaalsContact C-N 3.26Å; T163-V165 PolarHBondContact O-N 3.03Å
164D90Very high91.2Very high81 Ų8171.2 Ų71.243%0.43337%0.367SS..THydrogen-bonded Turntrans-74.7-11.3173.664-61.9000113.7R162R162-D164 VanDerWaalsContact CA-OD1 3.31Å; R162-D164 WeakPolarHBondContact CA-OD1 3.47Å; R162-D164 IonicContact CZ-OD1 3.14Å; R162-D164 IonicContact CZ-OD2 3.22Å; R162-D164 IonicContact NE-OD1 2.82Å; R162-D164 PolarHBondContact NE-OD1 3.02Å; R162-D164 IonicContact NE-OD2 2.65Å; R162-D164 PolarHBondContact NE-OD2 3.33Å; R162-D164 IonicContact NH2-OD1 3.9Å; R162-D164 IonicContact NH2-OD2 3.01Å; R162-D164 PolarHBondContact NH2-OD2 2.82Å; R162-D164 PolarHBondContact O-N 2.84Å
165V91.9Very high90.4Very high9 Ų971.8 Ų71.86%0.05537%0.369CS..SBendtrans-107132.6-175.5-1740000110.7F126 H130 R162 T163 G167 L169 L170F126-V165 HydrophobicContact CD1-CG1 4.18Å; F126-V165 HydrophobicContact CD1-CG2 4.04Å; F126-V165 HydrophobicContact CE1-CB 4.29Å; F126-V165 HydrophobicContact CE1-CG1 4Å; F126-V165 HydrophobicContact CE1-CG2 3.88Å; H130-V165 HydrophobicContact CB-CG2 4.1Å; R162-V165 HydrophobicContact CB-CB 4.28Å; R162-V165 HydrophobicContact CB-CG2 3.93Å; R162-V165 VanDerWaalsContact NH2-CG2 3.33Å; R162-V165 PolarHBondContact O-N 3.12Å; R162-V165 VanDerWaalsContact O-N 3.07Å; T163-V165 VanDerWaalsContact C-N 3.26Å; T163-V165 PolarHBondContact O-N 3.03Å; V165-G167 PolarHBondContact O-N 3.03Å; V165-L169 HydrophobicContact CG1-CB 4.19Å; V165-L169 HydrophobicContact CG1-CD2 3.65Å; V165-L169 HydrophobicContact CG1-CG 4.1Å; V165-L170 HydrophobicContact CB-CG 4.48Å; V165-L170 HydrophobicContact CG1-CD2 4.28Å; V165-L170 HydrophobicContact CG1-CG 4.17Å
166P92.8Very high89.3Confident75 Ų7571.2 Ų71.249%0.48738%0.378SS..  trans-57.7136.6175.8-2534000112.9E168 L169 L170P166-E168 VanDerWaalsContact C-N 3.26Å; P166-E168 PolarHBondContact O-N 2.95Å; P166-L169 WeakPolarHBondContact O-CB 3.49Å; P166-L169 PolarHBondContact O-N 3.47Å; P166-L170 PolarHBondContact O-N 2.84Å
167G89.8Confident88.8Confident44 Ų4471.6 Ų71.645%0.45438%0.376SS..Hα-helixtrans-58.1-34-178.500000114.3V165 L169 L170 Q171V165-G167 PolarHBondContact O-N 3.03Å; G167-L169 VanDerWaalsContact C-N 3.31Å; G167-L169 PolarHBondContact O-N 2.85Å; G167-L170 WeakPolarHBondContact O-CB 3.48Å; G167-L170 PolarHBondContact O-N 3.07Å; G167-Q171 WeakPolarHBondContact O-CG 3.19Å; G167-Q171 PolarHBondContact O-N 2.82Å; G167-Q171 VanDerWaalsContact O-N 3.12Å
168E90.2Very high88.5Confident142 Ų14273.1 Ų73.166%0.66438%0.383SS*.Hα-helixtrans-62.7-37.2176.1-64.3-179.1-172.500112.8P166 Q171 K172P166-E168 VanDerWaalsContact C-N 3.26Å; P166-E168 PolarHBondContact O-N 2.95Å; E168-Q171 PolarHBondContact O-N 2.94Å; E168-K172 WeakPolarHBondContact O-CG 3.34Å; E168-K172 PolarHBondContact O-N 3.4Å
169L90.5Very high88.7Confident36 Ų3673.8 Ų73.819%0.18839%0.387CS..Hα-helixtrans-68.9-41.7177.317759.4000110.3P127 H130 V165 P166 G167 Q171 K172 L173P127-L169 HydrophobicContact CG-CD1 3.98Å; P127-L169 HydrophobicContact CG-CD2 3.74Å; P127-L169 HydrophobicContact CG-CG 4.43Å; H130-L169 VanDerWaalsContact CD2-CD2 3.46Å; H130-L169 WeakPolarHBondContact CD2-CD2 3.03Å; V165-L169 HydrophobicContact CG1-CB 4.19Å; V165-L169 HydrophobicContact CG1-CD2 3.65Å; V165-L169 HydrophobicContact CG1-CG 4.1Å; P166-L169 WeakPolarHBondContact O-CB 3.49Å; P166-L169 PolarHBondContact O-N 3.47Å; G167-L169 VanDerWaalsContact C-N 3.31Å; G167-L169 PolarHBondContact O-N 2.85Å; L169-Q171 VanDerWaalsContact C-N 3.27Å; L169-Q171 PolarHBondContact O-N 2.88Å; L169-K172 PolarHBondContact O-N 3.38Å; L169-K172 VanDerWaalsContact O-N 3.1Å; L169-L173 HydrophobicContact CD1-CG 4.42Å; L169-L173 HydrophobicContact CG-CD1 4.41Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.45Å; L169-L173 VanDerWaalsContact O-N 3.07Å
170L89.1Confident88.9Confident18 Ų1872.5 Ų72.59%0.09437%0.373CS..Hα-helixtrans-59.5-36.6175.9-69.1173.2000112.7F126 Q158 P159 V165 P166 G167 F175F126-L170 HydrophobicContact CE1-CD2 3.51Å; F126-L170 HydrophobicContact CZ-CD2 3.77Å; Q158-L170 HydrophobicContact CB-CD2 4.21Å; P159-L170 HydrophobicContact CB-CD1 4.06Å; P159-L170 HydrophobicContact CG-CD1 4.11Å; V165-L170 HydrophobicContact CB-CG 4.48Å; V165-L170 HydrophobicContact CG1-CD2 4.28Å; V165-L170 HydrophobicContact CG1-CG 4.17Å; P166-L170 PolarHBondContact O-N 2.84Å; G167-L170 WeakPolarHBondContact O-CB 3.48Å; G167-L170 PolarHBondContact O-N 3.07Å; L170-F175 HydrophobicContact CD2-CE2 4.44Å; L170-F175 HydrophobicContact CD2-CZ 4.13Å
171Q86.9Confident89.2Confident171 Ų17168.9 Ų68.980%0.79936%0.364SS*.Hα-helixtrans-71.5-30.5176.4-68.9176.412.900113G167 E168 L169G167-Q171 WeakPolarHBondContact O-CG 3.19Å; G167-Q171 PolarHBondContact O-N 2.82Å; G167-Q171 VanDerWaalsContact O-N 3.12Å; E168-Q171 PolarHBondContact O-N 2.94Å; L169-Q171 VanDerWaalsContact C-N 3.27Å; L169-Q171 PolarHBondContact O-N 2.88Å
172K88.6Confident89.5Confident154 Ų15471.1 Ų71.167%0.6737%0.374SS*.Hα-helixtrans-75.2-30.7176.9-71.7173.8-175.1174.30112.4E168 L169 R174E168-K172 WeakPolarHBondContact O-CG 3.34Å; E168-K172 PolarHBondContact O-N 3.4Å; L169-K172 PolarHBondContact O-N 3.38Å; L169-K172 VanDerWaalsContact O-N 3.1Å; K172-R174 PolarHBondContact O-N 2.9Å
173L87.6Confident89.7Confident35 Ų3575.8 Ų75.818%0.18340%0.396CS..  trans-69.6121.8-178.5-71.8173.4000111.6Q125 F126 L169 F175Q125-L173 WeakPolarHBondContact O-CD2 3.49Å; F126-L173 HydrophobicContact CD1-CD1 3.65Å; F126-L173 HydrophobicContact CE1-CD1 3.74Å; F126-L173 HydrophobicContact CG-CD1 4.16Å; F126-L173 HydrophobicContact CZ-CD1 4.33Å; L169-L173 HydrophobicContact CD1-CG 4.42Å; L169-L173 HydrophobicContact CG-CD1 4.41Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.45Å; L169-L173 VanDerWaalsContact O-N 3.07Å; L173-F175 HydrophobicContact CB-CD2 4.18Å; L173-F175 HydrophobicContact CB-CE1 4.2Å; L173-F175 HydrophobicContact CB-CE2 3.76Å; L173-F175 HydrophobicContact CB-CZ 3.78Å; L173-F175 HydrophobicContact CD1-CE1 3.92Å; L173-F175 HydrophobicContact CD1-CE2 4.32Å; L173-F175 HydrophobicContact CD1-CZ 3.55Å; L173-F175 HydrophobicContact CG-CZ 4.31Å; L173-F175 PolarHBondContact O-N 2.93Å
174R85.1Confident89.9Confident203 Ų20370.7 Ų70.777%0.76637%0.365SS*.  trans-95.567175.7-64.2-167.8-180-159.61.1111.2K172 G176 S177K172-R174 PolarHBondContact O-N 2.9Å; R174-G176 PolarHBondContact O-N 3.3Å; R174-S177 VanDerWaalsContact CB-OG 3.27Å; R174-S177 WeakPolarHBondContact CB-OG 3.42Å; R174-S177 PolarHBondContact O-N 3.39Å; R174-S177 PolarHBondContact O-OG 2.8Å
175F79.9Confident90Very high13 Ų1370.8 Ų70.86%0.05738%0.377CS..G310 helixtrans-47.2-38.5-172.9-69.8-71000115.7L122 Q125 F126 M155 Q158 L170 L173 I179L122-F175 HydrophobicContact CB-CD1 4.21Å; L122-F175 HydrophobicContact CB-CE1 4.49Å; L122-F175 HydrophobicContact CD2-CB 3.74Å; L122-F175 HydrophobicContact CD2-CD1 3.88Å; L122-F175 HydrophobicContact CD2-CG 4.04Å; Q125-F175 HydrophobicContact CB-CD1 4.31Å; Q125-F175 PolarHBondContact NE2-O 2.88Å; Q125-F175 PolarHBondContact OE1-O 2.89Å; Q125-F175 VanDerWaalsContact OE1-O 3.07Å; F126-F175 HydrophobicContact CD2-CE1 4.14Å; F126-F175 HydrophobicContact CE1-CZ 4.13Å; F126-F175 AromaticContact CE2-CE1 3.53Å; F126-F175 HydrophobicContact CE2-CE1 3.53Å; F126-F175 AromaticContact CE2-CZ 3.86Å; F126-F175 HydrophobicContact CE2-CZ 3.86Å; F126-F175 AromaticContact CZ-CE1 3.74Å; F126-F175 HydrophobicContact CZ-CE1 3.74Å; F126-F175 AromaticContact CZ-CZ 3.53Å; F126-F175 HydrophobicContact CZ-CZ 3.53Å; M155-F175 HydrophobicContact CE-CB 3.93Å; M155-F175 HydrophobicContact CG-CB 3.88Å; M155-F175 HydrophobicContact SD-CB 4.11Å; Q158-F175 HydrophobicContact CB-CE2 4.37Å; Q158-F175 HydrophobicContact CB-CZ 4.44Å; Q158-F175 HydrophobicContact CG-CE2 4.1Å; Q158-F175 HydrophobicContact CG-CZ 4.07Å; L170-F175 HydrophobicContact CD2-CE2 4.44Å; L170-F175 HydrophobicContact CD2-CZ 4.13Å; L173-F175 HydrophobicContact CB-CD2 4.18Å; L173-F175 HydrophobicContact CB-CE1 4.2Å; L173-F175 HydrophobicContact CB-CE2 3.76Å; L173-F175 HydrophobicContact CB-CZ 3.78Å; L173-F175 HydrophobicContact CD1-CE1 3.92Å; L173-F175 HydrophobicContact CD1-CE2 4.32Å; L173-F175 HydrophobicContact CD1-CZ 3.55Å; L173-F175 HydrophobicContact CG-CZ 4.31Å; L173-F175 PolarHBondContact O-N 2.93Å; F175-I179 WeakPolarHBondContact O-CD1 3.48Å
176G71.8Confident90Very high43 Ų4373.1 Ų73.144%0.44339%0.389SS..G310 helixtrans-77.5-19.9-17800000114.5R174 Q178R174-G176 PolarHBondContact O-N 3.3Å; G176-Q178 VanDerWaalsContact C-N 3.33Å; G176-Q178 PolarHBondContact O-N 2.88Å
177S83.7Confident90.1Very high79 Ų7969.5 Ų69.555%0.55237%0.366SS*.G310 helixtrans-80.4-13.9-169.265.50000114.4R174R174-S177 VanDerWaalsContact CB-OG 3.27Å; R174-S177 WeakPolarHBondContact CB-OG 3.42Å; R174-S177 PolarHBondContact O-N 3.39Å; R174-S177 PolarHBondContact O-OG 2.8Å
178Q88.8Confident90.3Very high71 Ų7171.6 Ų71.633%0.33237%0.366SS..G310 helixtrans-124.732.1-176.1-58-158.5-34.200112.6G136 A137 G176G136-Q178 CarbonylContact C-O 3.2Å; G136-Q178 WeakPolarHBondContact CA-O 3.41Å; A137-Q178 PolarHBondContact N-O 3.36Å; G176-Q178 VanDerWaalsContact C-N 3.33Å; G176-Q178 PolarHBondContact O-N 2.88Å
179I96.8Very high90.6Very high19 Ų1967.1 Ų67.110%0.09735%0.349CS..EExtended strand (participates in β ladder)trans-113105.8170.4-59.9170.7000107.8C121 L122 A137 F146 L151 F175 I181C121-I179 HydrophobicContact CB-CD1 3.95Å; C121-I179 HydrophobicContact CB-CG1 4.3Å; L122-I179 HydrophobicContact CD2-CD1 4.21Å; A137-I179 WeakPolarHBondContact O-CA 3.32Å; F146-I179 HydrophobicContact CZ-CG2 4.33Å; L151-I179 HydrophobicContact CD1-CD1 3.91Å; L151-I179 HydrophobicContact CD2-CD1 3.74Å; L151-I179 HydrophobicContact CG-CD1 4.42Å; F175-I179 WeakPolarHBondContact O-CD1 3.48Å; I179-I181 HydrophobicContact CG2-CG1 4.3Å
180F97.5Very high90.9Very high50 Ų5065.4 Ų65.422%0.21934%0.34CS..EExtended strand (participates in β ladder)trans-90.5121.6-179.4-55.1-82.4000109A137 V138 Y139 L201 M206 A207A137-F180 PolarHBondContact O-N 3.33Å; V138-F180 CarbonylContact C-O 3.52Å; V138-F180 WeakPolarHBondContact CA-O 3.46Å; Y139-F180 PolarHBondContact N-O 3.11Å; F180-L201 HydrophobicContact CB-CD1 3.71Å; F180-L201 HydrophobicContact CD1-CD1 4.24Å; F180-L201 HydrophobicContact CD1-CD2 3.97Å; F180-L201 HydrophobicContact CD2-CD1 4Å; F180-L201 HydrophobicContact CD2-CD2 4.29Å; F180-L201 HydrophobicContact CE1-CD2 4.05Å; F180-L201 HydrophobicContact CE2-CD2 4.37Å; F180-L201 HydrophobicContact CG-CD1 3.69Å; F180-L201 HydrophobicContact CG-CD2 4.11Å; F180-L201 HydrophobicContact CZ-CD2 4.27Å; F180-M206 HydrophobicContact CE1-CE 3.84Å; F180-M206 HydrophobicContact CE2-CB 4Å; F180-M206 HydrophobicContact CZ-CB 4Å; F180-M206 HydrophobicContact CZ-CE 3.62Å; F180-A207 HydrophobicContact CD2-CB 4.3Å; F180-A207 HydrophobicContact CE2-CB 4.42Å
181I97.6Very high91.3Very high71 Ų7165.5 Ų65.536%0.36434%0.34SS..EExtended strand (participates in β ladder)trans-109.2129.9-174.3-58.7158.4000108.4Y139 F146 I179Y139-I181 WeakPolarHBondContact O-CA 2.87Å; F146-I181 HydrophobicContact CB-CD1 4.24Å; F146-I181 HydrophobicContact CB-CG2 3.77Å; F146-I181 HydrophobicContact CD1-CD1 3.34Å; F146-I181 HydrophobicContact CD1-CG1 4.13Å; F146-I181 HydrophobicContact CD2-CD1 4.15Å; F146-I181 HydrophobicContact CD2-CG1 4.02Å; F146-I181 HydrophobicContact CD2-CG2 4.16Å; F146-I181 HydrophobicContact CE1-CD1 3.62Å; F146-I181 HydrophobicContact CE1-CG1 4.31Å; F146-I181 HydrophobicContact CE2-CD1 4.38Å; F146-I181 HydrophobicContact CE2-CG1 4.22Å; F146-I181 HydrophobicContact CG-CD1 3.64Å; F146-I181 HydrophobicContact CG-CG1 3.98Å; F146-I181 HydrophobicContact CG-CG2 4Å; F146-I181 HydrophobicContact CZ-CD1 4.14Å; F146-I181 HydrophobicContact CZ-CG1 4.35Å; I179-I181 HydrophobicContact CG2-CG1 4.3Å
182E97.7Very high91.8Very high56 Ų5661.6 Ų61.626%0.26232%0.322SS..EExtended strand (participates in β ladder)trans-126.8136.8173.7-77.1-76.6167.700109.2Y139 I140 C141 K197Y139-E182 PolarHBondContact O-N 3.39Å; I140-E182 CarbonylContact C-O 3.55Å; I140-E182 WeakPolarHBondContact CA-O 3.37Å; I140-E182 HydrophobicContact CG1-CB 4.49Å; C141-E182 PolarHBondContact N-O 3.31Å; E182-K197 VanDerWaalsContact CD-NZ 3.34Å; E182-K197 HydrophobicContact CG-CD 4.48Å; E182-K197 WeakPolarHBondContact OE1-CD 3.39Å; E182-K197 IonicContact OE1-NZ 3.88Å; E182-K197 PolarHBondContact OE1-NZ 2.68Å; E182-K197 IonicContact OE2-NZ 3.89Å; E182-K197 PolarHBondContact OE2-NZ 3Å
183H97.3Very high92.3Very high105 Ų10554.4 Ų54.449%0.48629%0.291SS..EExtended strand (participates in β ladder)trans-107.9125.3173.8-72.179.2000108.6C141 F146C141-H183 VanDerWaalsContact CB-CD2 3.43Å; C141-H183 WeakPolarHBondContact CB-CD2 3.36Å; C141-H183 WeakPolarHBondContact CB-NE2 3.5Å; C141-H183 WeakPolarHBondContact O-CA 3.44Å; F146-H183 PolarHBondContact N-NE2 3.47Å
184V95.6Very high92.8Very high10 Ų1052.8 Ų52.86%0.06128%0.283CS..  trans-129.1139.7178.5-570000108.8I140 C141 T142 L190 C193I140-V184 HydrophobicContact CG2-CB 4.48Å; I140-V184 HydrophobicContact CG2-CG1 4.09Å; I140-V184 HydrophobicContact CG2-CG2 3.57Å; C141-V184 PolarHBondContact O-N 2.95Å; T142-V184 WeakPolarHBondContact CA-O 3.39Å; T142-V184 HydrophobicContact CG2-CG2 3.7Å; V184-L190 HydrophobicContact CG2-CB 4Å; V184-L190 HydrophobicContact CG2-CD1 4.07Å; V184-C193 HydrophobicContact CG1-CB 4.09Å
185A90.2Very high93.3Very high83 Ų8347.3 Ų47.369%0.68627%0.269SS*.  trans-105.4-21-174.700000112.9
186D93.1Very high94.1Very high57 Ų5752.9 Ų52.931%0.30529%0.293SS..SBendtrans-141.6168.5-169.461.255000111.2D188 T189 L190 E222D186-D188 VanDerWaalsContact C-N 3.34Å; D186-D188 PolarHBondContact OD1-N 3.01Å; D186-T189 PolarHBondContact N-OG1 3.26Å; D186-T189 PolarHBondContact O-OG1 3Å; D186-T189 VanDerWaalsContact OD1-CB 3.27Å; D186-T189 WeakPolarHBondContact OD1-CB 3.42Å; D186-T189 VanDerWaalsContact OD1-CG2 3.26Å; D186-T189 WeakPolarHBondContact OD1-CG2 3.41Å; D186-T189 PolarHBondContact OD1-N 2.73Å; D186-T189 PolarHBondContact OD1-OG1 3.49Å; D186-L190 WeakPolarHBondContact O-CB 3.49Å; D186-L190 PolarHBondContact O-N 2.7Å; D186-E222 WeakPolarHBondContact CA-OE1 3.4Å; D186-E222 WeakPolarHBondContact CB-OE1 3.47Å
187V94.1Very high95.3Very high0 Ų055.2 Ų55.20%029%0.291CS..Hα-helixtrans-68.4-35.2-175.6174.50000111.4L190 L191 P218 F219 E222 F223 R234V187-L190 PolarHBondContact O-N 2.84Å; V187-L191 HydrophobicContact CG1-CD1 4.01Å; V187-L191 HydrophobicContact CG1-CG 4.39Å; V187-L191 WeakPolarHBondContact O-CB 3.43Å; V187-L191 VanDerWaalsContact O-CG 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.36Å; V187-L191 PolarHBondContact O-N 3.11Å; V187-P218 HydrophobicContact CG2-CB 3.66Å; V187-F219 HydrophobicContact CG1-CE1 3.86Å; V187-F219 HydrophobicContact CG1-CZ 3.76Å; V187-F219 HydrophobicContact CG2-CD1 3.88Å; V187-F219 HydrophobicContact CG2-CD2 4.09Å; V187-F219 HydrophobicContact CG2-CE1 3.83Å; V187-F219 HydrophobicContact CG2-CE2 4.04Å; V187-F219 HydrophobicContact CG2-CG 4.02Å; V187-F219 HydrophobicContact CG2-CZ 3.92Å; V187-E222 VanDerWaalsContact CB-OE2 3.32Å; V187-E222 WeakPolarHBondContact CB-OE2 3.32Å; V187-E222 VanDerWaalsContact CG2-OE2 3.27Å; V187-E222 WeakPolarHBondContact CG2-OE2 3.48Å; V187-E222 PolarHBondContact N-OE1 2.84Å; V187-F223 HydrophobicContact CG2-CE2 4.12Å; V187-R234 HydrophobicContact CG1-CB 4.09Å; V187-R234 HydrophobicContact CG1-CG 4.34Å
188D94.7Very high96Very high87 Ų8751.5 Ų51.547%0.46527%0.265SS..Hα-helixtrans-70-43.2-178.6-75.2-33.2000111D186 L191 E192 R234D186-D188 VanDerWaalsContact C-N 3.34Å; D186-D188 PolarHBondContact OD1-N 3.01Å; D188-L191 PolarHBondContact O-N 2.85Å; D188-E192 WeakPolarHBondContact O-CB 3.4Å; D188-E192 PolarHBondContact O-N 3.46Å; D188-R234 IonicContact OD1-CZ 2.99Å; D188-R234 IonicContact OD1-NE 3.56Å; D188-R234 IonicContact OD1-NH1 3.02Å; D188-R234 IonicContact OD1-NH2 3.93Å; D188-R234 PolarHBondContact OD1-NH2 3.2Å; D188-R234 IonicContact OD2-NH2 3.92Å
189T96Very high96.4Very high49 Ų4949.6 Ų49.630%0.30126%0.258SS..Hα-helixtrans-67.5-36.2173.7540000112.2D186 E192 C193D186-T189 PolarHBondContact N-OG1 3.26Å; D186-T189 PolarHBondContact O-OG1 3Å; D186-T189 VanDerWaalsContact OD1-CB 3.27Å; D186-T189 WeakPolarHBondContact OD1-CB 3.42Å; D186-T189 VanDerWaalsContact OD1-CG2 3.26Å; D186-T189 WeakPolarHBondContact OD1-CG2 3.41Å; D186-T189 PolarHBondContact OD1-N 2.73Å; D186-T189 PolarHBondContact OD1-OG1 3.49Å; T189-E192 PolarHBondContact O-N 2.72Å; T189-C193 WeakPolarHBondContact O-CB 3.33Å; T189-C193 PolarHBondContact O-N 3.09Å
190L97.4Very high96.4Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-61.7-49.4170.9175.961000111.4I140 V184 D186 V187 E192 C193 V194 I212 P218 F219 L238I140-L190 HydrophobicContact CD1-CD1 4.37Å; I140-L190 HydrophobicContact CG2-CD1 3.92Å; V184-L190 HydrophobicContact CG2-CB 4Å; V184-L190 HydrophobicContact CG2-CD1 4.07Å; D186-L190 WeakPolarHBondContact O-CB 3.49Å; D186-L190 PolarHBondContact O-N 2.7Å; V187-L190 PolarHBondContact O-N 2.84Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.41Å; L190-C193 PolarHBondContact O-N 2.77Å; L190-V194 HydrophobicContact CD1-CG2 4.13Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.34Å; L190-I212 HydrophobicContact CD1-CD1 4.29Å; L190-I212 HydrophobicContact CD1-CG2 4.37Å; L190-P218 HydrophobicContact CD2-CG 4.27Å; L190-F219 HydrophobicContact CD2-CE2 4.32Å; L190-L238 HydrophobicContact CD2-CD1 4.29Å; L190-L238 HydrophobicContact CD2-CD2 3.79Å; L190-L238 HydrophobicContact CG-CD1 4.23Å
191L97.4Very high96.4Very high19 Ų1950.7 Ų50.710%0.09927%0.269CS..Hα-helixtrans-62.4-39.5177.3-76.7171.2000111.3V187 D188 N195 L238V187-L191 HydrophobicContact CG1-CD1 4.01Å; V187-L191 HydrophobicContact CG1-CG 4.39Å; V187-L191 WeakPolarHBondContact O-CB 3.43Å; V187-L191 VanDerWaalsContact O-CG 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.36Å; V187-L191 PolarHBondContact O-N 3.11Å; D188-L191 PolarHBondContact O-N 2.85Å; L191-N195 VanDerWaalsContact O-CB 3.24Å; L191-N195 WeakPolarHBondContact O-CB 3.3Å; L191-N195 PolarHBondContact O-N 3.21Å; L191-N195 PolarHBondContact O-ND2 3.03Å; L191-L238 HydrophobicContact CD2-CB 3.96Å; L191-L238 HydrophobicContact CD2-CD1 4.19Å
192E97.4Very high96.4Very high90 Ų9047.3 Ų47.342%0.42125%0.251SS..Hα-helixtrans-62.4-45.5174.8176.7162.4-140.700111.7D188 T189 L190 N195 K196D188-E192 WeakPolarHBondContact O-CB 3.4Å; D188-E192 PolarHBondContact O-N 3.46Å; T189-E192 PolarHBondContact O-N 2.72Å; L190-E192 VanDerWaalsContact C-N 3.31Å; L190-E192 PolarHBondContact O-N 3.41Å; E192-N195 PolarHBondContact O-N 3Å; E192-K196 HydrophobicContact CG-CD 3.93Å; E192-K196 HydrophobicContact CG-CG 4.37Å; E192-K196 VanDerWaalsContact O-CB 3.31Å; E192-K196 WeakPolarHBondContact O-CB 3.44Å; E192-K196 PolarHBondContact O-N 3.1Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 2.98Å
193C98.1Very high96.3Very high2 Ų248.4 Ų48.41%0.01427%0.266CS..Iπ-helixtrans-59.2-50.1177.8-174.40000111V184 T189 L190 N195 K197 V198V184-C193 HydrophobicContact CG1-CB 4.09Å; T189-C193 WeakPolarHBondContact O-CB 3.33Å; T189-C193 PolarHBondContact O-N 3.09Å; L190-C193 PolarHBondContact O-N 2.77Å; C193-N195 PolarHBondContact O-N 2.99Å; C193-K197 HydrophobicContact CB-CD 4.45Å; C193-K197 WeakPolarHBondContact O-CA 3.37Å; C193-K197 WeakPolarHBondContact O-CB 3.31Å; C193-K197 PolarHBondContact O-N 3.26Å; C193-V198 WeakPolarHBondContact O-CG2 3.27Å; C193-V198 PolarHBondContact O-N 3.25Å
194V98.1Very high96.2Very high1 Ų151.9 Ų51.91%0.00627%0.274CS..Iπ-helixtrans-63.7-40.5179.1172.90000112.1I140 L190 P199 L238 A241 L242 L245I140-V194 HydrophobicContact CD1-CG2 4.18Å; L190-V194 HydrophobicContact CD1-CG2 4.13Å; L190-V194 WeakPolarHBondContact O-CG2 3.35Å; L190-V194 PolarHBondContact O-N 3.34Å; V194-P199 VanDerWaalsContact O-CD 3.26Å; V194-P199 WeakPolarHBondContact O-CD 3.4Å; V194-L238 HydrophobicContact CB-CD1 4.5Å; V194-L238 HydrophobicContact CG1-CD1 4.47Å; V194-L238 HydrophobicContact CG2-CD1 4.03Å; V194-A241 HydrophobicContact CG1-CB 3.83Å; V194-L242 HydrophobicContact CG1-CD2 3.78Å; V194-L242 HydrophobicContact CG1-CG 4.25Å; V194-L242 HydrophobicContact CG2-CD2 4.04Å; V194-L245 HydrophobicContact CG1-CD1 3.7Å
195N96.8Very high96.1Very high89 Ų8952.9 Ų52.948%0.47629%0.287SS..Iπ-helixtrans-86.3-21.9-175.4-72.6-63.1000114.4L191 E192 C193 P199 A241L191-N195 VanDerWaalsContact O-CB 3.24Å; L191-N195 WeakPolarHBondContact O-CB 3.3Å; L191-N195 PolarHBondContact O-N 3.21Å; L191-N195 PolarHBondContact O-ND2 3.03Å; E192-N195 PolarHBondContact O-N 3Å; C193-N195 PolarHBondContact O-N 2.99Å; N195-P199 WeakPolarHBondContact O-CG 3.26Å; N195-A241 WeakPolarHBondContact OD1-CB 3.45Å
196K95.6Very high96.4Very high129 Ų12952.1 Ų52.156%0.56127%0.27SS*.Iπ-helixtrans-120.4-45.9-173.8-56.5-171.9-164.8163.30113.7E192 V200E192-K196 HydrophobicContact CG-CD 3.93Å; E192-K196 HydrophobicContact CG-CG 4.37Å; E192-K196 VanDerWaalsContact O-CB 3.31Å; E192-K196 WeakPolarHBondContact O-CB 3.44Å; E192-K196 PolarHBondContact O-N 3.1Å; E192-K196 IonicContact OE1-NZ 2.65Å; E192-K196 PolarHBondContact OE1-NZ 2.98Å; K196-V200 WeakPolarHBondContact O-CG2 3.34Å
197K97.6Very high96.6Very high93 Ų9349.4 Ų49.440%0.40426%0.255SS..Iπ-helixtrans-84-51.8-173.2-61.9-177.4175.8-178.30112E182 C193 P199 V200 L201E182-K197 VanDerWaalsContact CD-NZ 3.34Å; E182-K197 HydrophobicContact CG-CD 4.48Å; E182-K197 WeakPolarHBondContact OE1-CD 3.39Å; E182-K197 IonicContact OE1-NZ 3.88Å; E182-K197 PolarHBondContact OE1-NZ 2.68Å; E182-K197 IonicContact OE2-NZ 3.89Å; E182-K197 PolarHBondContact OE2-NZ 3Å; C193-K197 HydrophobicContact CB-CD 4.45Å; C193-K197 WeakPolarHBondContact O-CA 3.37Å; C193-K197 WeakPolarHBondContact O-CB 3.31Å; C193-K197 PolarHBondContact O-N 3.26Å; K197-P199 VanDerWaalsContact C-CD 3.48Å; K197-V200 WeakPolarHBondContact O-CB 3.47Å; K197-V200 PolarHBondContact O-N 2.75Å; K197-V200 VanDerWaalsContact O-N 3.15Å; K197-L201 PolarHBondContact O-N 3.32Å
198V98.3Very high96.8Very high0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-56.1-46.3-179.51790000112.5V138 I140 C193 V200 L201 L202 V210 L245V138-V198 HydrophobicContact CG1-CG2 4.19Å; I140-V198 HydrophobicContact CD1-CG2 4.07Å; C193-V198 WeakPolarHBondContact O-CG2 3.27Å; C193-V198 PolarHBondContact O-N 3.25Å; V198-V200 PolarHBondContact O-N 2.97Å; V198-L201 PolarHBondContact O-N 3.18Å; V198-L201 VanDerWaalsContact O-N 3.09Å; V198-L202 HydrophobicContact CG1-CD1 3.75Å; V198-L202 HydrophobicContact CG1-CG 3.95Å; V198-L202 WeakPolarHBondContact O-CG 3.36Å; V198-L202 PolarHBondContact O-N 2.99Å; V198-V210 HydrophobicContact CG1-CG1 4.49Å; V198-V210 HydrophobicContact CG1-CG2 3.71Å; V198-L245 HydrophobicContact CB-CD1 4.19Å; V198-L245 HydrophobicContact CG1-CD1 3.77Å; V198-L245 HydrophobicContact CG1-CD2 4.5Å
199P97.5Very high97Very high31 Ų3148.4 Ų48.420%0.20125%0.245CC..Hα-helixtrans-61.3-29.8-179.3-1929.8000113.1V194 N195 K197 S203 L245 F249V194-P199 VanDerWaalsContact O-CD 3.26Å; V194-P199 WeakPolarHBondContact O-CD 3.4Å; N195-P199 WeakPolarHBondContact O-CG 3.26Å; K197-P199 VanDerWaalsContact C-CD 3.48Å; P199-S203 WeakPolarHBondContact O-CB 3.23Å; P199-S203 PolarHBondContact O-N 3.5Å; P199-S203 PolarHBondContact O-OG 2.95Å; P199-L245 HydrophobicContact CB-CD2 4.07Å; P199-L245 HydrophobicContact CG-CD2 3.69Å; P199-F249 HydrophobicContact CB-CE2 4.47Å
200V97.1Very high97.1Very high61 Ų6146.1 Ų46.137%0.3723%0.231SC..Hα-helixtrans-65.8-42.9176.8175.20000110.7K196 K197 V198 S203 R204K196-V200 WeakPolarHBondContact O-CG2 3.34Å; K197-V200 WeakPolarHBondContact O-CB 3.47Å; K197-V200 PolarHBondContact O-N 2.75Å; K197-V200 VanDerWaalsContact O-N 3.15Å; V198-V200 PolarHBondContact O-N 2.97Å; V200-S203 PolarHBondContact O-OG 3.19Å; V200-R204 WeakPolarHBondContact O-CB 3.48Å; V200-R204 VanDerWaalsContact O-CG 3.26Å; V200-R204 WeakPolarHBondContact O-CG 3.32Å; V200-R204 PolarHBondContact O-N 3.32Å
201L97.4Very high97.2Very high31 Ų3146.1 Ų46.116%0.16223%0.231CC..Hα-helixtrans-69.4-42.1178.3-64173.4000111.6V138 F180 K197 V198 G205 M206 A207V138-L201 HydrophobicContact CG1-CD1 4.41Å; V138-L201 HydrophobicContact CG2-CB 4.24Å; V138-L201 HydrophobicContact CG2-CD1 3.59Å; F180-L201 HydrophobicContact CB-CD1 3.71Å; F180-L201 HydrophobicContact CD1-CD1 4.24Å; F180-L201 HydrophobicContact CD1-CD2 3.97Å; F180-L201 HydrophobicContact CD2-CD1 4Å; F180-L201 HydrophobicContact CD2-CD2 4.29Å; F180-L201 HydrophobicContact CE1-CD2 4.05Å; F180-L201 HydrophobicContact CE2-CD2 4.37Å; F180-L201 HydrophobicContact CG-CD1 3.69Å; F180-L201 HydrophobicContact CG-CD2 4.11Å; F180-L201 HydrophobicContact CZ-CD2 4.27Å; K197-L201 PolarHBondContact O-N 3.32Å; V198-L201 PolarHBondContact O-N 3.18Å; V198-L201 VanDerWaalsContact O-N 3.09Å; L201-G205 PolarHBondContact O-N 3.42Å; L201-M206 HydrophobicContact CD2-CB 4.47Å; L201-M206 HydrophobicContact CD2-CE 4.38Å; L201-M206 HydrophobicContact CD2-SD 4.11Å; L201-M206 PolarHBondContact O-N 2.86Å; L201-A207 HydrophobicContact CB-CB 4.42Å; L201-A207 PolarHBondContact O-N 3.32Å
202L96.9Very high97.2Very high0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-68.6-42.3179.3-60.9-175.4000112.3V198 R204 G205 A207 V210 L245 F249V198-L202 HydrophobicContact CG1-CD1 3.75Å; V198-L202 HydrophobicContact CG1-CG 3.95Å; V198-L202 WeakPolarHBondContact O-CG 3.36Å; V198-L202 PolarHBondContact O-N 2.99Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 3.08Å; L202-G205 PolarHBondContact O-N 3.18Å; L202-A207 HydrophobicContact CD2-CB 4.08Å; L202-A207 WeakPolarHBondContact CD2-O 3.44Å; L202-V210 HydrophobicContact CD1-CG2 4.25Å; L202-V210 HydrophobicContact CD2-CG2 4.37Å; L202-L245 HydrophobicContact CD1-CB 4.27Å; L202-L245 HydrophobicContact CD1-CD2 3.96Å; L202-F249 HydrophobicContact CB-CB 4.03Å; L202-F249 HydrophobicContact CB-CD1 3.74Å; L202-F249 HydrophobicContact CB-CD2 3.68Å; L202-F249 HydrophobicContact CB-CE1 4.09Å; L202-F249 HydrophobicContact CB-CE2 4.03Å; L202-F249 HydrophobicContact CB-CG 3.53Å; L202-F249 HydrophobicContact CB-CZ 4.22Å; L202-F249 HydrophobicContact CD1-CB 4.05Å; L202-F249 HydrophobicContact CD1-CD2 3.54Å; L202-F249 HydrophobicContact CD1-CE2 4.24Å; L202-F249 HydrophobicContact CD1-CG 3.94Å; L202-F249 HydrophobicContact CG-CD2 4.27Å; L202-F249 HydrophobicContact CG-CG 4.36Å
203S95.3Very high97.2Very high80 Ų8041.9 Ų41.956%0.55921%0.211SC*.Hα-helixtrans-67.3-29.3179.4590000113.7P199 V200 G205P199-S203 WeakPolarHBondContact O-CB 3.23Å; P199-S203 PolarHBondContact O-N 3.5Å; P199-S203 PolarHBondContact O-OG 2.95Å; V200-S203 PolarHBondContact O-OG 3.19Å; S203-G205 PolarHBondContact O-N 2.83Å
204R95.8Very high97Very high177 Ų17741.8 Ų41.867%0.66821%0.211SC*.THydrogen-bonded Turntrans-80.6-2.8172.5-68.1175.7-179.4-172.81113.3V200 L202 M206V200-R204 WeakPolarHBondContact O-CB 3.48Å; V200-R204 VanDerWaalsContact O-CG 3.26Å; V200-R204 WeakPolarHBondContact O-CG 3.32Å; V200-R204 PolarHBondContact O-N 3.32Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 3.08Å; R204-M206 HydrophobicContact CB-CG 3.79Å; R204-M206 HydrophobicContact CB-SD 3.94Å; R204-M206 PolarHBondContact O-N 2.89Å
205G94.1Very high96.9Very high31 Ų3141.8 Ų41.832%0.3221%0.21SC..THydrogen-bonded Turntrans68.214.5-175.200000114L201 L202 S203 A207L201-G205 PolarHBondContact O-N 3.42Å; L202-G205 PolarHBondContact O-N 3.18Å; S203-G205 PolarHBondContact O-N 2.83Å; G205-A207 VanDerWaalsContact C-N 3.33Å
206M96Very high96.7Very high67 Ų6737.5 Ų37.533%0.3319%0.188SC..SBendtrans-74.6-27.1-178.7-62.8174.873.800111.8G136 F180 L201 R204G136-M206 VanDerWaalsContact CA-O 3.3Å; G136-M206 WeakPolarHBondContact CA-O 3.5Å; G136-M206 PolarHBondContact N-O 2.66Å; F180-M206 HydrophobicContact CE1-CE 3.84Å; F180-M206 HydrophobicContact CE2-CB 4Å; F180-M206 HydrophobicContact CZ-CB 4Å; F180-M206 HydrophobicContact CZ-CE 3.62Å; L201-M206 HydrophobicContact CD2-CB 4.47Å; L201-M206 HydrophobicContact CD2-CE 4.38Å; L201-M206 HydrophobicContact CD2-SD 4.11Å; L201-M206 PolarHBondContact O-N 2.86Å; R204-M206 HydrophobicContact CB-CG 3.79Å; R204-M206 HydrophobicContact CB-SD 3.94Å; R204-M206 PolarHBondContact O-N 2.89Å
207A97.3Very high96.5Very high0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-137.6151.8176.500000111.9G136 V138 F180 L201 L202 G205G136-A207 CarbonylContact O-C 3.29Å; G136-A207 WeakPolarHBondContact O-CA 3.46Å; V138-A207 HydrophobicContact CG2-CB 3.74Å; F180-A207 HydrophobicContact CD2-CB 4.3Å; F180-A207 HydrophobicContact CE2-CB 4.42Å; L201-A207 HydrophobicContact CB-CB 4.42Å; L201-A207 PolarHBondContact O-N 3.32Å; L202-A207 HydrophobicContact CD2-CB 4.08Å; L202-A207 WeakPolarHBondContact CD2-O 3.44Å; G205-A207 VanDerWaalsContact C-N 3.33Å
208R97.4Very high96.1Very high67 Ų6727.5 Ų27.525%0.25315%0.146SC..EExtended strand (participates in β ladder)trans-134.32.9173.1-69-68-179.8-162.6-7.1113.9V124 L133 A135 G136 F249 S251 P252V124-R208 HydrophobicContact CG2-CB 4.15Å; L133-R208 HydrophobicContact CB-CB 3.91Å; L133-R208 HydrophobicContact CB-CG 4.3Å; L133-R208 HydrophobicContact CD1-CB 3.73Å; L133-R208 HydrophobicContact CG-CB 4.48Å; A135-R208 HydrophobicContact CB-CB 3.88Å; A135-R208 HydrophobicContact CB-CG 3.47Å; A135-R208 VanDerWaalsContact CB-CG 3.47Å; G136-R208 PolarHBondContact O-N 3.13Å; R208-F249 PolarHBondContact NH1-O 3.18Å; R208-S251 WeakPolarHBondContact O-CA 3.15Å; R208-S251 WeakPolarHBondContact O-CB 3.25Å; R208-S251 PolarHBondContact O-OG 2.79Å; R208-P252 WeakPolarHBondContact O-CD 3.38Å
209L98.6Very high95.7Very high0 Ų027.5 Ų27.50%015%0.146CC..EExtended strand (participates in β ladder)trans-123.3137.4171.7170.567.3000109L82 L120 V124 G136 A137 V138 V211 P252L82-L209 HydrophobicContact CD2-CB 4.42Å; L82-L209 HydrophobicContact CD2-CD1 3.97Å; L82-L209 HydrophobicContact CD2-CD2 4.2Å; L82-L209 HydrophobicContact CD2-CG 4.43Å; L120-L209 VanDerWaalsContact C-CD2 3.48Å; L120-L209 HydrophobicContact CB-CD2 3.8Å; L120-L209 WeakPolarHBondContact O-CD2 3.41Å; V124-L209 HydrophobicContact CB-CB 4.03Å; V124-L209 HydrophobicContact CB-CD2 4.35Å; V124-L209 HydrophobicContact CG1-CB 4.06Å; V124-L209 HydrophobicContact CG1-CD2 4.2Å; V124-L209 HydrophobicContact CG2-CB 3.84Å; G136-L209 PolarHBondContact O-N 2.97Å; A137-L209 CarbonylContact C-O 3.35Å; A137-L209 WeakPolarHBondContact CA-O 3.43Å; A137-L209 HydrophobicContact CB-CB 4.05Å; A137-L209 HydrophobicContact CB-CD2 4.02Å; A137-L209 HydrophobicContact CB-CG 4.25Å; V138-L209 PolarHBondContact N-O 3.37Å; L209-V211 HydrophobicContact CD1-CG2 4.23Å; L209-V211 HydrophobicContact CD2-CG2 3.94Å; L209-V211 HydrophobicContact CG-CG2 3.92Å; L209-P252 HydrophobicContact CD1-CB 4.15Å; L209-P252 HydrophobicContact CD1-CG 3.94Å
210V98.8Very high94.8Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-118.3124.8170.2-175.90000108.6V138 V198 L202 P252 V253 L254V138-V210 WeakPolarHBondContact O-CA 3.44Å; V198-V210 HydrophobicContact CG1-CG1 4.49Å; V198-V210 HydrophobicContact CG1-CG2 3.71Å; L202-V210 HydrophobicContact CD1-CG2 4.25Å; L202-V210 HydrophobicContact CD2-CG2 4.37Å; V210-P252 PolarHBondContact N-O 2.82Å; V210-V253 HydrophobicContact CB-CG2 4.32Å; V210-V253 CarbonylContact O-C 3.52Å; V210-V253 WeakPolarHBondContact O-CA 3.25Å; V210-L254 PolarHBondContact O-N 3.09Å
211V98.8Very high93.4Very high0 Ų032.9 Ų32.90%017%0.172CC..EExtended strand (participates in β ladder)trans-116.6133.3175.7-179.40000109.2A117 V138 Y139 I140 L209 L254A117-V211 HydrophobicContact CB-CG1 3.86Å; V138-V211 PolarHBondContact O-N 3.48Å; Y139-V211 HydrophobicContact CD2-CB 3.88Å; Y139-V211 HydrophobicContact CD2-CG1 3.87Å; Y139-V211 HydrophobicContact CD2-CG2 4.33Å; Y139-V211 HydrophobicContact CE2-CB 4.2Å; Y139-V211 HydrophobicContact CE2-CG1 3.67Å; Y139-V211 HydrophobicContact CG-CB 4.33Å; Y139-V211 HydrophobicContact CG-CG1 4.44Å; I140-V211 PolarHBondContact N-O 3.22Å; L209-V211 HydrophobicContact CD1-CG2 4.23Å; L209-V211 HydrophobicContact CD2-CG2 3.94Å; L209-V211 HydrophobicContact CG-CG2 3.92Å; V211-L254 CarbonylContact C-O 3.51Å; V211-L254 WeakPolarHBondContact CA-O 3.42Å; V211-L254 HydrophobicContact CG1-CD2 4.49Å; V211-L254 HydrophobicContact CG2-CB 4.39Å
212I98.5Very high92Very high0 Ų035.1 Ų35.10%018%0.182CC..EExtended strand (participates in β ladder)trans-117.2112.9168.9-54.6175.9000108.5I140 T142 L190 V215 L242 L254 I256I140-I212 HydrophobicContact CB-CG1 4.4Å; I140-I212 HydrophobicContact CD1-CG1 4.28Å; T142-I212 HydrophobicContact CG2-CG2 4.12Å; L190-I212 HydrophobicContact CD1-CD1 4.29Å; L190-I212 HydrophobicContact CD1-CG2 4.37Å; I212-V215 HydrophobicContact CB-CB 4.48Å; I212-V215 HydrophobicContact CG2-CB 4.03Å; I212-V215 HydrophobicContact CG2-CG2 4.49Å; I212-L242 HydrophobicContact CD1-CD1 3.79Å; I212-L242 HydrophobicContact CD1-CD2 3.96Å; I212-L242 HydrophobicContact CD1-CG 4.49Å; I212-L254 PolarHBondContact N-O 3.19Å; I212-I256 PolarHBondContact O-N 3.05Å
213D96.8Very high90.7Very high21 Ų2136.6 Ų36.611%0.11219%0.189CC..EExtended strand (participates in β ladder)trans-120.898.2-180-164.811.1000111.2T114 Y139 I140 C141 T142 I256T114-D213 WeakPolarHBondContact CB-OD2 3.43Å; T114-D213 WeakPolarHBondContact CG2-OD2 3.46Å; T114-D213 PolarHBondContact OG1-OD2 3Å; Y139-D213 HydrophobicContact CE1-CB 3.54Å; Y139-D213 VanDerWaalsContact OH-CB 3.3Å; Y139-D213 WeakPolarHBondContact OH-CB 3.39Å; Y139-D213 PolarHBondContact OH-OD2 2.88Å; I140-D213 PolarHBondContact O-N 3.14Å; C141-D213 WeakPolarHBondContact CA-O 3.41Å; T142-D213 PolarHBondContact N-O 3.44Å; T142-D213 PolarHBondContact OG1-O 3.49Å; D213-I256 HydrophobicContact CB-CD1 3.86Å; D213-I256 VanDerWaalsContact OD1-CD1 3.31Å; D213-I256 WeakPolarHBondContact OD1-CD1 3.33Å; D213-I256 WeakPolarHBondContact OD1-CG2 3.44Å
214S94.1Very high89.3Confident0 Ų039.5 Ų39.50%020%0.198CC..THydrogen-bonded Turncis-108.7150.3-7730000112T142 E143 A216 A217 I256T142-S214 WeakPolarHBondContact CG2-O 3.24Å; T142-S214 PolarHBondContact OG1-N 2.95Å; T142-S214 PolarHBondContact OG1-O 3.01Å; E143-S214 VanDerWaalsContact OE2-CB 3.29Å; E143-S214 WeakPolarHBondContact OE2-CB 3.4Å; E143-S214 PolarHBondContact OE2-OG 3.45Å; S214-A216 PolarHBondContact O-N 3.21Å; S214-A217 PolarHBondContact O-N 2.96Å; S214-I256 CarbonylContact C-O 3.5Å; S214-I256 WeakPolarHBondContact CA-O 3.42Å; S214-I256 VanDerWaalsContact CB-O 3.25Å; S214-I256 WeakPolarHBondContact CB-O 3.29Å
215V95.6Very high87.7Confident0 Ų036.6 Ų36.60%020%0.204CC..THydrogen-bonded Turntrans-65.9-21.4179.168.30000112.4I212 F219 L238 C255 I256 N257 L284 W288I212-V215 HydrophobicContact CB-CB 4.48Å; I212-V215 HydrophobicContact CG2-CB 4.03Å; I212-V215 HydrophobicContact CG2-CG2 4.49Å; V215-F219 WeakPolarHBondContact O-CD2 3.49Å; V215-L238 HydrophobicContact CG2-CD2 3.79Å; V215-C255 HydrophobicContact CB-CB 3.99Å; V215-C255 HydrophobicContact CG1-CB 3.79Å; V215-I256 WeakPolarHBondContact CG1-O 3.45Å; V215-I256 PolarHBondContact N-O 3.03Å; V215-N257 HydrophobicContact CG1-CB 4.34Å; V215-L284 HydrophobicContact CB-CD1 4.45Å; V215-L284 HydrophobicContact CG1-CD1 3.65Å; V215-L284 HydrophobicContact CG2-CD1 4.21Å; V215-W288 HydrophobicContact CG1-CZ2 4.08Å; V215-W288 HydrophobicContact CG2-CH2 3.93Å; V215-W288 HydrophobicContact CG2-CZ2 4.02Å; V215-W288 HydrophobicContact CG2-CZ3 4.4Å
216A92.6Very high86.2Confident0 Ų043.8 Ų43.80%023%0.23CC..THydrogen-bonded Turntrans-83.1-25.1-176.200000114.5S214 F219 R220 N257 A283 L284S214-A216 PolarHBondContact O-N 3.21Å; A216-F219 PolarHBondContact O-N 3.4Å; A216-R220 WeakPolarHBondContact O-CG 3.29Å; A216-R220 PolarHBondContact O-N 2.89Å; A216-R220 VanDerWaalsContact O-N 3.17Å; A216-N257 VanDerWaalsContact CB-OD1 3.25Å; A216-N257 WeakPolarHBondContact CB-OD1 3.34Å; A216-A283 HydrophobicContact CB-CB 4.22Å; A216-L284 HydrophobicContact CB-CD1 4.39Å; A216-L284 HydrophobicContact CB-CD2 4.1Å; A216-L284 HydrophobicContact CB-CG 4.04Å
217A91.3Very high85.3Confident10 Ų1041.9 Ų41.98%0.08322%0.224CC..Hα-helixtrans-61-48.8-170.100000114.1T142 E143 S214 F219 R220T142-A217 WeakPolarHBondContact OG1-CB 3.47Å; E143-A217 HydrophobicContact CG-CB 3.2Å; S214-A217 PolarHBondContact O-N 2.96Å; A217-F219 PolarHBondContact O-N 2.91Å; A217-R220 PolarHBondContact O-N 3.14Å; A217-R220 VanDerWaalsContact O-N 3.1Å
218P91.2Very high84.5Confident1 Ų146 Ų461%0.00625%0.253CS..Hα-helixtrans-62.1-33.8-179.7-24.637.4000112.7T142 V187 L190 R220T142-P218 HydrophobicContact CG2-CG 3.91Å; V187-P218 HydrophobicContact CG2-CB 3.66Å; L190-P218 HydrophobicContact CD2-CG 4.27Å; P218-R220 VanDerWaalsContact C-N 3.33Å; P218-R220 PolarHBondContact O-N 3.15Å
219F89.5Confident83.9Confident0 Ų045.6 Ų45.60%026%0.264CS..Hα-helixtrans-79.7-12.2-179.3-66.5-89.3000114.3V187 L190 V215 A216 A217 F223 R231 R234 L235 L238 L284V187-F219 HydrophobicContact CG1-CE1 3.86Å; V187-F219 HydrophobicContact CG1-CZ 3.76Å; V187-F219 HydrophobicContact CG2-CD1 3.88Å; V187-F219 HydrophobicContact CG2-CD2 4.09Å; V187-F219 HydrophobicContact CG2-CE1 3.83Å; V187-F219 HydrophobicContact CG2-CE2 4.04Å; V187-F219 HydrophobicContact CG2-CG 4.02Å; V187-F219 HydrophobicContact CG2-CZ 3.92Å; L190-F219 HydrophobicContact CD2-CE2 4.32Å; V215-F219 WeakPolarHBondContact O-CD2 3.49Å; A216-F219 PolarHBondContact O-N 3.4Å; A217-F219 PolarHBondContact O-N 2.91Å; F219-F223 HydrophobicContact CD1-CD2 4.29Å; F219-F223 AromaticContact CD1-CE2 3.75Å; F219-F223 HydrophobicContact CD1-CE2 3.75Å; F219-F223 HydrophobicContact CE1-CE2 4.38Å; F219-R231 HydrophobicContact CD1-CG 4.28Å; F219-R231 PolarHBondContact O-NH1 2.82Å; F219-R234 HydrophobicContact CE1-CB 3.8Å; F219-L235 HydrophobicContact CD1-CD2 3.81Å; F219-L235 HydrophobicContact CD1-CG 3.84Å; F219-L235 HydrophobicContact CD2-CD2 4.02Å; F219-L235 HydrophobicContact CE1-CB 4.48Å; F219-L235 HydrophobicContact CE1-CD2 3.66Å; F219-L235 HydrophobicContact CE1-CG 3.67Å; F219-L235 HydrophobicContact CE2-CD2 3.89Å; F219-L235 HydrophobicContact CG-CD2 3.97Å; F219-L235 HydrophobicContact CG-CG 4.45Å; F219-L235 HydrophobicContact CZ-CD2 3.7Å; F219-L235 HydrophobicContact CZ-CG 4.17Å; F219-L238 HydrophobicContact CE2-CD2 3.72Å; F219-L238 HydrophobicContact CZ-CD2 3.94Å; F219-L284 HydrophobicContact CB-CD2 3.92Å; F219-L284 HydrophobicContact CG-CD2 4.36Å
220R78.8Confident83.5Confident88 Ų8849 Ų4933%0.33229%0.286SS..Hα-helixtrans-84.2-34.6175-78-175.1-73.6-171.33.8112.1E143 A216 A217 P218 Q258E143-R220 IonicContact OE1-NH2 3.17Å; E143-R220 PolarHBondContact OE1-NH2 3.25Å; E143-R220 IonicContact OE2-NH2 3.35Å; A216-R220 WeakPolarHBondContact O-CG 3.29Å; A216-R220 PolarHBondContact O-N 2.89Å; A216-R220 VanDerWaalsContact O-N 3.17Å; A217-R220 PolarHBondContact O-N 3.14Å; A217-R220 VanDerWaalsContact O-N 3.1Å; P218-R220 VanDerWaalsContact C-N 3.33Å; P218-R220 PolarHBondContact O-N 3.15Å; R220-Q258 VanDerWaalsContact NH2-OE1 3.15Å
221C66.4Low83.1Confident117 Ų11751.8 Ų51.879%0.79130%0.297SS*.Hα-helixtrans-83.9-24.7-175.3-61.80000113.6
222E68.7Low82.7Confident78 Ų7852.7 Ų52.736%0.36430%0.304SS..SBendtrans-98-17.5-170-77.7175.4-145.200116.4D186 V187D186-E222 WeakPolarHBondContact CA-OE1 3.4Å; D186-E222 WeakPolarHBondContact CB-OE1 3.47Å; V187-E222 VanDerWaalsContact CB-OE2 3.32Å; V187-E222 WeakPolarHBondContact CB-OE2 3.32Å; V187-E222 VanDerWaalsContact CG2-OE2 3.27Å; V187-E222 WeakPolarHBondContact CG2-OE2 3.48Å; V187-E222 PolarHBondContact N-OE1 2.84Å
223F69.3Low82.5Confident32 Ų3261 Ų6114%0.1434%0.336CS..  trans-124.5112.7-169.1-60.3-80.5000112.3V187 F219 A227 P230 R231 R234V187-F223 HydrophobicContact CG2-CE2 4.12Å; F219-F223 HydrophobicContact CD1-CD2 4.29Å; F219-F223 AromaticContact CD1-CE2 3.75Å; F219-F223 HydrophobicContact CD1-CE2 3.75Å; F219-F223 HydrophobicContact CE1-CE2 4.38Å; F223-A227 HydrophobicContact CB-CB 4.27Å; F223-A227 HydrophobicContact CD1-CB 3.9Å; F223-P230 HydrophobicContact CE1-CB 4.21Å; F223-R231 HydrophobicContact CB-CB 4.2Å; F223-R231 HydrophobicContact CB-CG 4.35Å; F223-R231 HydrophobicContact CD1-CB 3.69Å; F223-R231 HydrophobicContact CD1-CG 4.42Å; F223-R231 HydrophobicContact CD2-CB 4.02Å; F223-R231 HydrophobicContact CD2-CG 3.84Å; F223-R231 HydrophobicContact CE1-CB 4.04Å; F223-R231 HydrophobicContact CE2-CB 4.34Å; F223-R231 HydrophobicContact CE2-CG 4.24Å; F223-R231 HydrophobicContact CG-CB 3.69Å; F223-R231 HydrophobicContact CG-CG 3.94Å; F223-R231 HydrophobicContact CZ-CB 4.36Å; F223-R234 HydrophobicContact CZ-CB 4.47Å; F223-R234 HydrophobicContact CZ-CG 4.14Å
224D65.4Low82.4Confident140 Ų14064.9 Ų64.975%0.74935%0.349SS*.  trans-71.4168.4166.9-69.1-28.2000112Q226 A227D224-Q226 PolarHBondContact O-N 3.33Å; D224-A227 PolarHBondContact O-N 3.08Å
225S62.9Low82.5Confident116 Ų11665.1 Ų65.181%0.81135%0.35SS*.THydrogen-bonded Turntrans-55.1-25.6-178.354.40000114.6
226Q63.2Low82.5Confident183 Ų18369.7 Ų69.786%0.85537%0.371SS*.THydrogen-bonded Turntrans-83.2-11.4178.3-62.9-65.7-31.400113.9D224D224-Q226 PolarHBondContact O-N 3.33Å
227A75.6Confident82.7Confident26 Ų2672.7 Ų72.722%0.21539%0.393CS..  trans-99.727.5-17300000114.1F223 D224 A229 P230 R231F223-A227 HydrophobicContact CB-CB 4.27Å; F223-A227 HydrophobicContact CD1-CB 3.9Å; D224-A227 PolarHBondContact O-N 3.08Å; A227-A229 PolarHBondContact O-N 3.33Å; A227-P230 WeakPolarHBondContact O-CD 3.3Å; A227-R231 WeakPolarHBondContact O-CB 3.27Å; A227-R231 PolarHBondContact O-N 2.83Å
228S80.4Confident83Confident86 Ų8672.2 Ų72.260%0.60139%0.389SS*.Hα-helixtrans-59.6-42.8-174.8-177.40000113.7R231 A232S228-R231 PolarHBondContact O-N 2.77Å; S228-A232 WeakPolarHBondContact O-CB 3.48Å; S228-A232 PolarHBondContact O-N 2.94Å
229A86.4Confident83.3Confident59 Ų5972.2 Ų72.249%0.48839%0.388SS..Hα-helixtrans-69.5-47.5-179.300000113.7A227 R231 A232 R233A227-A229 PolarHBondContact O-N 3.33Å; A229-R231 VanDerWaalsContact C-N 3.34Å; A229-R231 PolarHBondContact O-N 2.88Å; A229-A232 PolarHBondContact O-N 2.64Å; A229-R233 WeakPolarHBondContact O-CG 3.48Å; A229-R233 PolarHBondContact O-N 3.39Å
230P89.4Confident83.6Confident72 Ų7274.3 Ų74.347%0.46841%0.406SS..Hα-helixtrans-55.5-45.5170.6-27.634.1000113.2F223 A227 A232 R233 R234F223-P230 HydrophobicContact CE1-CB 4.21Å; A227-P230 WeakPolarHBondContact O-CD 3.3Å; P230-A232 VanDerWaalsContact C-N 3.34Å; P230-A232 PolarHBondContact O-N 3.32Å; P230-R233 PolarHBondContact O-N 2.92Å; P230-R234 WeakPolarHBondContact O-CG 3.35Å; P230-R234 PolarHBondContact O-N 2.97Å
231R90.4Very high84.5Confident58 Ų5870.5 Ų70.522%0.21939%0.393CS..Hα-helixtrans-57.3-47.2176.1-177.9176.9173.1158.1-5.5111.6F219 F223 A227 S228 A229 R233 R234 L235 A283F219-R231 HydrophobicContact CD1-CG 4.28Å; F219-R231 PolarHBondContact O-NH1 2.82Å; F223-R231 HydrophobicContact CB-CB 4.2Å; F223-R231 HydrophobicContact CB-CG 4.35Å; F223-R231 HydrophobicContact CD1-CB 3.69Å; F223-R231 HydrophobicContact CD1-CG 4.42Å; F223-R231 HydrophobicContact CD2-CB 4.02Å; F223-R231 HydrophobicContact CD2-CG 3.84Å; F223-R231 HydrophobicContact CE1-CB 4.04Å; F223-R231 HydrophobicContact CE2-CB 4.34Å; F223-R231 HydrophobicContact CE2-CG 4.24Å; F223-R231 HydrophobicContact CG-CB 3.69Å; F223-R231 HydrophobicContact CG-CG 3.94Å; F223-R231 HydrophobicContact CZ-CB 4.36Å; A227-R231 WeakPolarHBondContact O-CB 3.27Å; A227-R231 PolarHBondContact O-N 2.83Å; S228-R231 PolarHBondContact O-N 2.77Å; A229-R231 VanDerWaalsContact C-N 3.34Å; A229-R231 PolarHBondContact O-N 2.88Å; R231-R233 PolarHBondContact O-N 3.29Å; R231-R234 PolarHBondContact O-N 2.63Å; R231-L235 HydrophobicContact CG-CD1 4.21Å; R231-L235 PolarHBondContact O-N 3.38Å; R231-A283 PolarHBondContact NH2-O 2.81Å
232A91.4Very high86Confident19 Ų1964.9 Ų64.916%0.15736%0.355CS..Hα-helixtrans-61.1-43.6179.300000112.2S228 A229 P230 R234 L235 Q236 T287S228-A232 WeakPolarHBondContact O-CB 3.48Å; S228-A232 PolarHBondContact O-N 2.94Å; A229-A232 PolarHBondContact O-N 2.64Å; P230-A232 VanDerWaalsContact C-N 3.34Å; P230-A232 PolarHBondContact O-N 3.32Å; A232-R234 PolarHBondContact O-N 3.47Å; A232-L235 PolarHBondContact O-N 2.94Å; A232-Q236 WeakPolarHBondContact O-CB 3.42Å; A232-Q236 VanDerWaalsContact O-CG 3.27Å; A232-Q236 WeakPolarHBondContact O-CG 3.43Å; A232-Q236 PolarHBondContact O-N 3.5Å; A232-T287 HydrophobicContact CB-CG2 3.96Å
233R93.3Very high87.3Confident175 Ų17565.4 Ų65.466%0.6635%0.354SS*.Hα-helixtrans-62-43.7176.2-68.7-179.8-163.4-173.15.2111.7A229 P230 R231 Q236 S237A229-R233 WeakPolarHBondContact O-CG 3.48Å; A229-R233 PolarHBondContact O-N 3.39Å; P230-R233 PolarHBondContact O-N 2.92Å; R231-R233 PolarHBondContact O-N 3.29Å; R233-Q236 PolarHBondContact O-N 3.28Å; R233-S237 PolarHBondContact O-N 3.02Å; R233-S237 PolarHBondContact O-OG 3.28Å; R233-S237 VanDerWaalsContact O-OG 3.11Å
234R94.8Very high88.5Confident103 Ų10369.9 Ų69.939%0.38938%0.375SS..Hα-helixtrans-63.7-42.6177.7-69-72.8-161.5-154.312.3112V187 D188 F219 F223 P230 R231 A232 S237 L238V187-R234 HydrophobicContact CG1-CB 4.09Å; V187-R234 HydrophobicContact CG1-CG 4.34Å; D188-R234 IonicContact OD1-CZ 2.99Å; D188-R234 IonicContact OD1-NE 3.56Å; D188-R234 IonicContact OD1-NH1 3.02Å; D188-R234 IonicContact OD1-NH2 3.93Å; D188-R234 PolarHBondContact OD1-NH2 3.2Å; D188-R234 IonicContact OD2-NH2 3.92Å; F219-R234 HydrophobicContact CE1-CB 3.8Å; F223-R234 HydrophobicContact CZ-CB 4.47Å; F223-R234 HydrophobicContact CZ-CG 4.14Å; P230-R234 WeakPolarHBondContact O-CG 3.35Å; P230-R234 PolarHBondContact O-N 2.97Å; R231-R234 PolarHBondContact O-N 2.63Å; A232-R234 PolarHBondContact O-N 3.47Å; R234-S237 PolarHBondContact O-N 3.46Å; R234-L238 PolarHBondContact O-N 3.04Å
235L95.6Very high89.9Confident4 Ų463.8 Ų63.82%0.02134%0.343CS..Hα-helixtrans-61.7-41.7174-77.6170.7000112.3F219 R231 A232 L238 G239 L284 T287 W288F219-L235 HydrophobicContact CD1-CD2 3.81Å; F219-L235 HydrophobicContact CD1-CG 3.84Å; F219-L235 HydrophobicContact CD2-CD2 4.02Å; F219-L235 HydrophobicContact CE1-CB 4.48Å; F219-L235 HydrophobicContact CE1-CD2 3.66Å; F219-L235 HydrophobicContact CE1-CG 3.67Å; F219-L235 HydrophobicContact CE2-CD2 3.89Å; F219-L235 HydrophobicContact CG-CD2 3.97Å; F219-L235 HydrophobicContact CG-CG 4.45Å; F219-L235 HydrophobicContact CZ-CD2 3.7Å; F219-L235 HydrophobicContact CZ-CG 4.17Å; R231-L235 HydrophobicContact CG-CD1 4.21Å; R231-L235 PolarHBondContact O-N 3.38Å; A232-L235 PolarHBondContact O-N 2.94Å; L235-L238 PolarHBondContact O-N 3.29Å; L235-G239 PolarHBondContact O-N 3.46Å; L235-L284 HydrophobicContact CD2-CD1 3.96Å; L235-L284 HydrophobicContact CD2-CD2 4.09Å; L235-L284 HydrophobicContact CD2-CG 4.47Å; L235-T287 HydrophobicContact CB-CG2 4.11Å; L235-W288 HydrophobicContact CD2-CE3 4.15Å
236Q96Very high91.4Very high96 Ų9658.3 Ų58.345%0.44930%0.304SS..Hα-helixtrans-63.4-44.1175.1-74170.3-18.400111.4A232 R233 G239 A240 T287A232-Q236 WeakPolarHBondContact O-CB 3.42Å; A232-Q236 VanDerWaalsContact O-CG 3.27Å; A232-Q236 WeakPolarHBondContact O-CG 3.43Å; A232-Q236 PolarHBondContact O-N 3.5Å; R233-Q236 PolarHBondContact O-N 3.28Å; Q236-G239 PolarHBondContact O-N 2.7Å; Q236-A240 VanDerWaalsContact O-CB 3.3Å; Q236-A240 WeakPolarHBondContact O-CB 3.39Å; Q236-A240 PolarHBondContact O-N 3.16Å; Q236-T287 HydrophobicContact CG-CG2 3.79Å
237S96.1Very high92.8Very high64 Ų6452.1 Ų52.145%0.44828%0.281SS..Hα-helixtrans-61.2-44.4176.1-64.10000112.1R233 R234 A240 A241R233-S237 PolarHBondContact O-N 3.02Å; R233-S237 PolarHBondContact O-OG 3.28Å; R233-S237 VanDerWaalsContact O-OG 3.11Å; R234-S237 PolarHBondContact O-N 3.46Å; S237-A240 PolarHBondContact O-N 2.88Å; S237-A241 WeakPolarHBondContact O-CB 3.33Å; S237-A241 PolarHBondContact O-N 3.41Å
238L98.1Very high93.5Very high0 Ų054.2 Ų54.20%030%0.298CS..Hα-helixtrans-62.8-48.8175.8178.463.2000111.3L190 L191 V194 V215 F219 R234 L235 A240 A241 L242 W288L190-L238 HydrophobicContact CD2-CD1 4.29Å; L190-L238 HydrophobicContact CD2-CD2 3.79Å; L190-L238 HydrophobicContact CG-CD1 4.23Å; L191-L238 HydrophobicContact CD2-CB 3.96Å; L191-L238 HydrophobicContact CD2-CD1 4.19Å; V194-L238 HydrophobicContact CB-CD1 4.5Å; V194-L238 HydrophobicContact CG1-CD1 4.47Å; V194-L238 HydrophobicContact CG2-CD1 4.03Å; V215-L238 HydrophobicContact CG2-CD2 3.79Å; F219-L238 HydrophobicContact CE2-CD2 3.72Å; F219-L238 HydrophobicContact CZ-CD2 3.94Å; R234-L238 PolarHBondContact O-N 3.04Å; L235-L238 PolarHBondContact O-N 3.29Å; L238-A240 VanDerWaalsContact C-N 3.32Å; L238-A240 PolarHBondContact O-N 3.5Å; L238-A241 PolarHBondContact O-N 2.65Å; L238-L242 HydrophobicContact CD1-CD1 3.97Å; L238-L242 HydrophobicContact CD1-CG 4.1Å; L238-L242 HydrophobicContact CG-CD1 3.92Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CB 3.45Å; L238-L242 WeakPolarHBondContact O-CG 3.07Å; L238-L242 PolarHBondContact O-N 3.18Å; L238-W288 HydrophobicContact CD2-CZ3 4.41Å; L238-W288 HydrophobicContact CG-CZ3 4.5Å
239G97.6Very high94.1Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-60.4-39.5178.500000112.8L235 Q236 R243L235-G239 PolarHBondContact O-N 3.46Å; Q236-G239 PolarHBondContact O-N 2.7Å; G239-R243 WeakPolarHBondContact O-CB 3.04Å; G239-R243 WeakPolarHBondContact O-CG 3.27Å; G239-R243 PolarHBondContact O-N 3.22Å
240A95.9Very high94.4Very high45 Ų4553.3 Ų53.337%0.37227%0.274SS..Hα-helixtrans-64-48.5174.900000111.8Q236 S237 L238 L242 R243 E244Q236-A240 VanDerWaalsContact O-CB 3.3Å; Q236-A240 WeakPolarHBondContact O-CB 3.39Å; Q236-A240 PolarHBondContact O-N 3.16Å; S237-A240 PolarHBondContact O-N 2.88Å; L238-A240 VanDerWaalsContact C-N 3.32Å; L238-A240 PolarHBondContact O-N 3.5Å; A240-L242 PolarHBondContact O-N 3.48Å; A240-R243 PolarHBondContact O-N 3.35Å; A240-E244 WeakPolarHBondContact O-CB 3.32Å; A240-E244 PolarHBondContact O-N 3.01Å
241A97.3Very high94.7Very high7 Ų749.9 Ų49.96%0.05825%0.252CS..Hα-helixtrans-61.8-41.7178.900000112.2V194 N195 S237 L238 E244 L245V194-A241 HydrophobicContact CG1-CB 3.83Å; N195-A241 WeakPolarHBondContact OD1-CB 3.45Å; S237-A241 WeakPolarHBondContact O-CB 3.33Å; S237-A241 PolarHBondContact O-N 3.41Å; L238-A241 PolarHBondContact O-N 2.65Å; A241-E244 PolarHBondContact O-N 3.18Å; A241-L245 WeakPolarHBondContact O-CG 3.39Å; A241-L245 PolarHBondContact O-N 3.34Å
242L98.3Very high95Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-66.8-40.9177.4-70.2174.4000112.8I102 V194 I212 L238 A240 E244 L245 S246 V253 W288I102-L242 HydrophobicContact CD1-CB 3.67Å; I102-L242 HydrophobicContact CD1-CD1 4.31Å; I102-L242 HydrophobicContact CG1-CB 4.12Å; V194-L242 HydrophobicContact CG1-CD2 3.78Å; V194-L242 HydrophobicContact CG1-CG 4.25Å; V194-L242 HydrophobicContact CG2-CD2 4.04Å; I212-L242 HydrophobicContact CD1-CD1 3.79Å; I212-L242 HydrophobicContact CD1-CD2 3.96Å; I212-L242 HydrophobicContact CD1-CG 4.49Å; L238-L242 HydrophobicContact CD1-CD1 3.97Å; L238-L242 HydrophobicContact CD1-CG 4.1Å; L238-L242 HydrophobicContact CG-CD1 3.92Å; L238-L242 HydrophobicContact CG-CG 4.43Å; L238-L242 WeakPolarHBondContact O-CB 3.45Å; L238-L242 WeakPolarHBondContact O-CG 3.07Å; L238-L242 PolarHBondContact O-N 3.18Å; A240-L242 PolarHBondContact O-N 3.48Å; L242-E244 VanDerWaalsContact C-N 3.35Å; L242-L245 PolarHBondContact O-N 3.26Å; L242-S246 WeakPolarHBondContact O-CB 3.35Å; L242-S246 PolarHBondContact O-N 2.84Å; L242-V253 HydrophobicContact CB-CG1 4.27Å; L242-V253 HydrophobicContact CD1-CG1 4.2Å; L242-V253 HydrophobicContact CD2-CG1 3.98Å; L242-V253 HydrophobicContact CG-CG1 4.38Å; L242-W288 HydrophobicContact CD1-CH2 4.05Å
243R95.8Very high95.3Very high89 Ų8946.2 Ų46.234%0.33623%0.234SC..Hα-helixtrans-63.7-41.5173.3-78.6-167.5-60.9-88.1-2.6111.9I102 G239 A240 S246 S247 Q291I102-R243 HydrophobicContact CD1-CG 3.94Å; I102-R243 HydrophobicContact CG1-CG 4.07Å; G239-R243 WeakPolarHBondContact O-CB 3.04Å; G239-R243 WeakPolarHBondContact O-CG 3.27Å; G239-R243 PolarHBondContact O-N 3.22Å; A240-R243 PolarHBondContact O-N 3.35Å; R243-S246 PolarHBondContact O-N 3.26Å; R243-S247 WeakPolarHBondContact O-CB 3.39Å; R243-S247 PolarHBondContact O-N 2.75Å; R243-Q291 VanDerWaalsContact NH1-CB 3.29Å; R243-Q291 PolarHBondContact NH1-O 3.17Å
244E93.9Very high95.6Very high126 Ų12638 Ų3859%0.58920%0.203SC*.Hα-helixtrans-61.1-47177-174.5177-177.800111A240 A241 L242 S246 S247 A248A240-E244 WeakPolarHBondContact O-CB 3.32Å; A240-E244 PolarHBondContact O-N 3.01Å; A241-E244 PolarHBondContact O-N 3.18Å; L242-E244 VanDerWaalsContact C-N 3.35Å; E244-S246 PolarHBondContact O-N 2.98Å; E244-S247 PolarHBondContact O-N 3.35Å; E244-A248 WeakPolarHBondContact O-CB 3.44Å; E244-A248 PolarHBondContact O-N 2.94Å
245L95.3Very high95.8Very high12 Ų1233.1 Ų33.16%0.06318%0.184CC..Hα-helixtrans-57.9-48.3173.7-74.9175.5000112.1V194 V198 P199 L202 A241 L242 F249V194-L245 HydrophobicContact CG1-CD1 3.7Å; V198-L245 HydrophobicContact CB-CD1 4.19Å; V198-L245 HydrophobicContact CG1-CD1 3.77Å; V198-L245 HydrophobicContact CG1-CD2 4.5Å; P199-L245 HydrophobicContact CB-CD2 4.07Å; P199-L245 HydrophobicContact CG-CD2 3.69Å; L202-L245 HydrophobicContact CD1-CB 4.27Å; L202-L245 HydrophobicContact CD1-CD2 3.96Å; A241-L245 WeakPolarHBondContact O-CG 3.39Å; A241-L245 PolarHBondContact O-N 3.34Å; L242-L245 PolarHBondContact O-N 3.26Å; L245-F249 HydrophobicContact CD2-CD2 4Å; L245-F249 HydrophobicContact CD2-CE2 3.76Å; L245-F249 WeakPolarHBondContact O-CB 3.42Å; L245-F249 VanDerWaalsContact O-CD2 3.32Å; L245-F249 WeakPolarHBondContact O-CD2 3.31Å; L245-F249 PolarHBondContact O-N 3.14Å
246S95.1Very high95.9Very high0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-60.4-49-178.3-170.50000111.6L99 D100 G101 L242 R243 E244 Q250 S251L99-S246 PolarHBondContact O-OG 3.11Å; D100-S246 WeakPolarHBondContact CA-OG 3.48Å; G101-S246 PolarHBondContact N-OG 3.2Å; G101-S246 PolarHBondContact O-OG 3.43Å; L242-S246 WeakPolarHBondContact O-CB 3.35Å; L242-S246 PolarHBondContact O-N 2.84Å; R243-S246 PolarHBondContact O-N 3.26Å; E244-S246 PolarHBondContact O-N 2.98Å; S246-Q250 WeakPolarHBondContact O-CA 3.35Å; S246-Q250 PolarHBondContact O-N 3.27Å; S246-S251 VanDerWaalsContact CA-O 3.3Å; S246-S251 WeakPolarHBondContact CA-O 3.42Å; S246-S251 WeakPolarHBondContact CB-O 3.5Å; S246-S251 PolarHBondContact O-N 3.46Å; S246-S251 VanDerWaalsContact O-N 3.16Å; S246-S251 PolarHBondContact OG-O 2.92Å
247S91.3Very high95.8Very high54 Ų5428.4 Ų28.438%0.37816%0.162SC..Hα-helixtrans-70.6-39.2-179-165.60000112.8D100 R243 E244D100-S247 WeakPolarHBondContact OD1-CA 3.38Å; D100-S247 WeakPolarHBondContact OD1-CB 3.18Å; D100-S247 PolarHBondContact OD2-OG 3.23Å; R243-S247 WeakPolarHBondContact O-CB 3.39Å; R243-S247 PolarHBondContact O-N 2.75Å; E244-S247 PolarHBondContact O-N 3.35Å
248A90.7Very high95.5Very high69 Ų6927.8 Ų27.857%0.5715%0.153SC*.Hα-helixtrans-69.9-35.6-178.900000112.9E244E244-A248 WeakPolarHBondContact O-CB 3.44Å; E244-A248 PolarHBondContact O-N 2.94Å
249F93.1Very high95Very high45 Ų4529 Ų2920%0.19716%0.16CC..Hα-helixtrans-110.2-0.3-175-61.7-72.1000113.8P199 L202 R208 L245 S251P199-F249 HydrophobicContact CB-CE2 4.47Å; L202-F249 HydrophobicContact CB-CB 4.03Å; L202-F249 HydrophobicContact CB-CD1 3.74Å; L202-F249 HydrophobicContact CB-CD2 3.68Å; L202-F249 HydrophobicContact CB-CE1 4.09Å; L202-F249 HydrophobicContact CB-CE2 4.03Å; L202-F249 HydrophobicContact CB-CG 3.53Å; L202-F249 HydrophobicContact CB-CZ 4.22Å; L202-F249 HydrophobicContact CD1-CB 4.05Å; L202-F249 HydrophobicContact CD1-CD2 3.54Å; L202-F249 HydrophobicContact CD1-CE2 4.24Å; L202-F249 HydrophobicContact CD1-CG 3.94Å; L202-F249 HydrophobicContact CG-CD2 4.27Å; L202-F249 HydrophobicContact CG-CG 4.36Å; R208-F249 PolarHBondContact NH1-O 3.18Å; L245-F249 HydrophobicContact CD2-CD2 4Å; L245-F249 HydrophobicContact CD2-CE2 3.76Å; L245-F249 WeakPolarHBondContact O-CB 3.42Å; L245-F249 VanDerWaalsContact O-CD2 3.32Å; L245-F249 WeakPolarHBondContact O-CD2 3.31Å; L245-F249 PolarHBondContact O-N 3.14Å; F249-S251 WeakPolarHBondContact CB-OG 3.29Å; F249-S251 PolarHBondContact O-N 2.82Å; F249-S251 PolarHBondContact O-OG 3.04Å
250Q92.8Very high93.9Very high81 Ų8131.8 Ų31.838%0.37918%0.177SC..THydrogen-bonded Turntrans50.846.3-173.8-50.7-179.4-75.400110.9L99 S246L99-Q250 HydrophobicContact CB-CB 4.44Å; L99-Q250 CarbonylContact O-C 3.37Å; S246-Q250 WeakPolarHBondContact O-CA 3.35Å; S246-Q250 PolarHBondContact O-N 3.27Å
251S95.4Very high92.5Very high0 Ų035.9 Ų35.90%019%0.189CC..  trans-113.1118.5-174.5-66.40000109.3L99 R208 S246 F249 V253L99-S251 CarbonylContact O-C 3.55Å; L99-S251 VanDerWaalsContact O-C 3.29Å; L99-S251 PolarHBondContact O-N 3.2Å; L99-S251 VanDerWaalsContact O-N 3.1Å; R208-S251 WeakPolarHBondContact O-CA 3.15Å; R208-S251 WeakPolarHBondContact O-CB 3.25Å; R208-S251 PolarHBondContact O-OG 2.79Å; S246-S251 VanDerWaalsContact CA-O 3.3Å; S246-S251 WeakPolarHBondContact CA-O 3.42Å; S246-S251 WeakPolarHBondContact CB-O 3.5Å; S246-S251 PolarHBondContact O-N 3.46Å; S246-S251 VanDerWaalsContact O-N 3.16Å; S246-S251 PolarHBondContact OG-O 2.92Å; F249-S251 WeakPolarHBondContact CB-OG 3.29Å; F249-S251 PolarHBondContact O-N 2.82Å; F249-S251 PolarHBondContact O-OG 3.04Å; S251-V253 PolarHBondContact O-N 2.9Å
252P97Very high90.6Very high0 Ų038.1 Ų38.10%021%0.207CC..  trans-57.4137.5172.219.5-33.5000110.8L82 L97 P98 L99 L133 R208 L209 V210L82-P252 HydrophobicContact CB-CG 3.98Å; L82-P252 HydrophobicContact CD2-CB 4.49Å; L82-P252 HydrophobicContact CD2-CG 3.65Å; L82-P252 HydrophobicContact CG-CG 4.46Å; L97-P252 HydrophobicContact CB-CB 4.31Å; P98-P252 WeakPolarHBondContact O-CB 3.49Å; L99-P252 HydrophobicContact CD2-CG 4.07Å; L133-P252 HydrophobicContact CD1-CG 4.2Å; R208-P252 WeakPolarHBondContact O-CD 3.38Å; L209-P252 HydrophobicContact CD1-CB 4.15Å; L209-P252 HydrophobicContact CD1-CG 3.94Å; V210-P252 PolarHBondContact N-O 2.82Å
253V98.6Very high88Confident0 Ų046.5 Ų46.50%025%0.248CC..EExtended strand (participates in β ladder)trans-112.2119.8172.2178.60000108.4I102 T103 V210 L242 S251I102-V253 HydrophobicContact CG1-CB 4.47Å; I102-V253 HydrophobicContact CG1-CG1 4.47Å; I102-V253 HydrophobicContact CG2-CG1 4.25Å; T103-V253 PolarHBondContact N-O 2.7Å; V210-V253 HydrophobicContact CB-CG2 4.32Å; V210-V253 CarbonylContact O-C 3.52Å; V210-V253 WeakPolarHBondContact O-CA 3.25Å; L242-V253 HydrophobicContact CB-CG1 4.27Å; L242-V253 HydrophobicContact CD1-CG1 4.2Å; L242-V253 HydrophobicContact CD2-CG1 3.98Å; L242-V253 HydrophobicContact CG-CG1 4.38Å; S251-V253 PolarHBondContact O-N 2.9Å
254L98.8Very high85.5Confident3 Ų349.5 Ų49.52%0.01627%0.266CS..EExtended strand (participates in β ladder)trans-107.7117.5173.3-18069.3000110T103 L105 A117 L120 V210 V211 I212T103-L254 HydrophobicContact CG2-CD1 4.06Å; T103-L254 WeakPolarHBondContact O-CA 3.49Å; L105-L254 HydrophobicContact CB-CD1 3.99Å; A117-L254 HydrophobicContact CB-CD2 3.95Å; L120-L254 HydrophobicContact CD1-CD2 3.67Å; V210-L254 PolarHBondContact O-N 3.09Å; V211-L254 CarbonylContact C-O 3.51Å; V211-L254 WeakPolarHBondContact CA-O 3.42Å; V211-L254 HydrophobicContact CG1-CD2 4.49Å; V211-L254 HydrophobicContact CG2-CB 4.39Å; I212-L254 PolarHBondContact N-O 3.19Å
255C98.5Very high82.8Confident0 Ų051.4 Ų51.40%028%0.275CS..EExtended strand (participates in β ladder)trans-106.6117.2172.8-67.90000109.7I102 T103 E104 L105 V215 W288I102-C255 HydrophobicContact CG2-CB 4.42Å; T103-C255 PolarHBondContact O-N 3.29Å; E104-C255 WeakPolarHBondContact CA-O 3.33Å; L105-C255 PolarHBondContact N-O 3.19Å; V215-C255 HydrophobicContact CB-CB 3.99Å; V215-C255 HydrophobicContact CG1-CB 3.79Å; C255-W288 HydrophobicContact CB-CH2 4.48Å; C255-W288 HydrophobicContact CB-CZ2 3.78Å
256I97.8Very high80Confident1 Ų159.6 Ų59.61%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-79.3129.2171.2-69.8173.3000108.4K113 A117 I212 D213 S214 V215K113-I256 HydrophobicContact CB-CD1 4.14Å; K113-I256 HydrophobicContact CB-CG1 4.26Å; K113-I256 HydrophobicContact CB-CG2 3.89Å; K113-I256 HydrophobicContact CD-CG2 3.91Å; A117-I256 HydrophobicContact CB-CD1 3.7Å; I212-I256 PolarHBondContact O-N 3.05Å; D213-I256 HydrophobicContact CB-CD1 3.86Å; D213-I256 VanDerWaalsContact OD1-CD1 3.31Å; D213-I256 WeakPolarHBondContact OD1-CD1 3.33Å; D213-I256 WeakPolarHBondContact OD1-CG2 3.44Å; S214-I256 CarbonylContact C-O 3.5Å; S214-I256 WeakPolarHBondContact CA-O 3.42Å; S214-I256 VanDerWaalsContact CB-O 3.25Å; S214-I256 WeakPolarHBondContact CB-O 3.29Å; V215-I256 WeakPolarHBondContact CG1-O 3.45Å; V215-I256 PolarHBondContact N-O 3.03Å
257N95.1Very high77.1Confident0 Ų064.3 Ų64.30%035%0.346CS..EExtended strand (participates in β ladder)trans-123.2150.7174.6-160.3-7.2000110.5E104 L105 A106 G107 K113 V215 A216E104-N257 HydrophobicContact CG-CB 3.93Å; E104-N257 VanDerWaalsContact OE1-CB 3.25Å; E104-N257 WeakPolarHBondContact OE1-CB 3.31Å; E104-N257 PolarHBondContact OE1-ND2 3.21Å; L105-N257 PolarHBondContact O-N 3.21Å; A106-N257 WeakPolarHBondContact CA-O 3.44Å; A106-N257 HydrophobicContact CB-CB 4.39Å; G107-N257 PolarHBondContact N-O 3.12Å; K113-N257 WeakPolarHBondContact CD-O 3.46Å; K113-N257 VanDerWaalsContact CE-O 3.29Å; K113-N257 WeakPolarHBondContact CE-O 3.49Å; V215-N257 HydrophobicContact CG1-CB 4.34Å; A216-N257 VanDerWaalsContact CB-OD1 3.25Å; A216-N257 WeakPolarHBondContact CB-OD1 3.34Å
258Q89.8Confident74.5Confident52 Ų5266.8 Ų66.824%0.24337%0.37CS..EExtended strand (participates in β ladder)trans-95159.7171.3-59.6-1729.900109.3E143 R220 A283E143-Q258 VanDerWaalsContact CD-NE2 3.28Å; E143-Q258 PolarHBondContact OE1-NE2 2.89Å; E143-Q258 PolarHBondContact OE2-NE2 2.84Å; R220-Q258 VanDerWaalsContact NH2-OE1 3.15Å; Q258-A283 WeakPolarHBondContact O-CB 3.46Å; Q258-A283 PolarHBondContact O-N 2.67Å
259V86.4Confident71.9Confident24 Ų2467.8 Ų67.815%0.14538%0.378CS..EExtended strand (participates in β ladder)trans-99.4140.5171-60.50000109.6A106 R108 A280 S281 L297A106-V259 HydrophobicContact CB-CG1 4.41Å; R108-V259 HydrophobicContact CB-CG2 4.18Å; R108-V259 HydrophobicContact CG-CG2 3.37Å; V259-A280 HydrophobicContact CB-CB 4.25Å; V259-A280 HydrophobicContact CG2-CB 4.18Å; V259-S281 CarbonylContact C-O 3.34Å; V259-S281 VanDerWaalsContact CA-O 3.24Å; V259-S281 WeakPolarHBondContact CA-O 3.41Å; V259-L297 HydrophobicContact CG1-CD1 4.17Å
260T75Confident69.2Low60 Ų6074.8 Ų74.837%0.36841%0.411SS..EExtended strand (participates in β ladder)trans-99.1141.1168.742.10000108.8S281 A283T260-S281 PolarHBondContact N-O 3.38Å; T260-S281 PolarHBondContact O-N 3.07Å; T260-S281 PolarHBondContact OG1-O 3.37Å; T260-A283 HydrophobicContact CG2-CB 3.82Å
261E66.5Low66.6Low131 Ų13173.4 Ų73.461%0.61242%0.419SS*.EExtended strand (participates in β ladder)trans-75.6129170.5-65.5-169.2153.200109.2R108 M263 R279R108-E261 IonicContact CZ-OE1 3.48Å; R108-E261 IonicContact NH1-OE1 2.69Å; R108-E261 PolarHBondContact NH1-OE1 2.81Å; R108-E261 IonicContact NH2-OE1 3.35Å; R108-E261 PolarHBondContact NH2-OE1 3.3Å; E261-M263 PolarHBondContact O-N 3.31Å; E261-R279 CarbonylContact C-O 3.58Å; E261-R279 WeakPolarHBondContact CA-O 3.34Å
262A56.6Low63.8Low54 Ų5479.8 Ų79.845%0.44646%0.46SS..  trans-71.8115.5171.600000107.4E264 R279A262-E264 PolarHBondContact O-N 3.45Å; A262-R279 PolarHBondContact N-O 3.1Å
263M43.6Very low61.2Low175 Ų17588.6 Ų88.686%0.86251%0.506SS*.  trans-70.6124.4167.9-159.7156.77900106.6E261 E265E261-M263 PolarHBondContact O-N 3.31Å; M263-E265 VanDerWaalsContact C-N 3.33Å; M263-E265 PolarHBondContact O-N 3.46Å
264E43.5Very low58.1Low152 Ų15290.7 Ų90.771%0.7153%0.528SS*.  trans-59.191.4178.2-76.5175.8173.800110.1A262 Q266A262-E264 PolarHBondContact O-N 3.45Å; E264-Q266 PolarHBondContact O-N 2.61Å
265E37.8Very low55.1Low166 Ų16699.6 Ų99.678%0.77657%0.567SS**  trans-80.3103.9151.4-80.3-175.3174.500106.3M263 S267M263-E265 VanDerWaalsContact C-N 3.33Å; M263-E265 PolarHBondContact O-N 3.46Å; E265-S267 PolarHBondContact O-N 2.89Å
266Q37.6Very low52.5Low185 Ų185107.2 Ų107.286%0.86460%0.596SS**  trans-5589.3167.3-69.6172.45.100108.8E264E264-Q266 PolarHBondContact O-N 2.61Å
267S32.7Very low50Low98 Ų98111.6 Ų111.669%0.68562%0.619SS**  trans-140.1102.8171.5-73.30000107.1E265 A269E265-S267 PolarHBondContact O-N 2.89Å; S267-A269 PolarHBondContact O-N 2.85Å
268A38.3Very low47.9Very low107 Ų107119.6 Ų119.688%0.88466%0.656SS**  trans-56.6101-179.200000111.4
269A35Very low46.4Very low90 Ų90124.2 Ų124.274%0.74467%0.672SS**  trans-145.789.1155.500000107.8S267 G271S267-A269 PolarHBondContact O-N 2.85Å; A269-G271 PolarHBondContact O-N 3.02Å
270H36.3Very low45.5Very low191 Ų191124.4 Ų124.488%0.88468%0.676SS**  trans-59.899.3170-67-36.2000109.6
271G38.6Very low45.9Very low53 Ų53123.9 Ų123.955%0.54668%0.675SS.*PPolyproline II helixtrans-7016115900000110.3A269 L273A269-G271 PolarHBondContact O-N 3.02Å; G271-L273 PolarHBondContact O-N 3.17Å
272P35.5Very low46.9Very low134 Ų134118.3 Ų118.387%0.8765%0.649SS**PPolyproline II helixtrans-62.1126.7-168.423.6-29.5000111.2G274P272-G274 PolarHBondContact O-N 3.29Å
273L42.6Very low48.4Very low184 Ų184116.4 Ų116.496%0.96363%0.634SS**PPolyproline II helixtrans-51.6121.5-178.8-75150000112G271G271-L273 PolarHBondContact O-N 3.17Å
274G34.4Very low50.6Low44 Ų44108.4 Ų108.445%0.45459%0.594SS.*  trans-17999.6168.800000113.1P272 W276P272-G274 PolarHBondContact O-N 3.29Å; G274-W276 PolarHBondContact O-N 2.9Å; G274-W276 VanDerWaalsContact O-N 3.07Å; G274-W276 PolarHBondContact O-NE1 3.44Å
275F35.9Very low52.7Low191 Ų191103.2 Ų103.284%0.83858%0.582SS**  trans61.321.3147.9-107.5-90.3000119.7
276W43.6Very low55.2Low160 Ų160101.2 Ų101.261%0.60658%0.575SS**  trans-83.7128167-56.983.9000109G274 E278G274-W276 PolarHBondContact O-N 2.9Å; G274-W276 VanDerWaalsContact O-N 3.07Å; G274-W276 PolarHBondContact O-NE1 3.44Å; W276-E278 HydrophobicContact CB-CG 4.21Å; W276-E278 PolarHBondContact O-N 3.48Å
277D45.5Very low57.8Low93 Ų9394 Ų9450%0.49754%0.544SS..  trans-67.494.9143.7-171.310.5000104R279 A280D277-R279 PolarHBondContact O-N 3.45Å; D277-A280 PolarHBondContact O-N 3.22Å
278E51.1Low60.7Low168 Ų16889.4 Ų89.479%0.78551%0.511SS*.THydrogen-bonded Turntrans-53.7-5.4-167.7-78.5178150.400114.5W276W276-E278 HydrophobicContact CB-CG 4.21Å; W276-E278 PolarHBondContact O-N 3.48Å
279R57.2Low63.3Low149 Ų14985.1 Ų85.156%0.56248%0.476SS*.THydrogen-bonded Turntrans-89.6-16.4-171.1-62.3-178.3179.9-173.51.3115.1E261 A262 D277E261-R279 CarbonylContact C-O 3.58Å; E261-R279 WeakPolarHBondContact CA-O 3.34Å; A262-R279 PolarHBondContact N-O 3.1Å; D277-R279 PolarHBondContact O-N 3.45Å
280A68.5Low66.1Low28 Ų2886.3 Ų86.323%0.23147%0.47CS..EExtended strand (participates in β ladder)trans-132.8119.6-174.600000113.5V259 D277V259-A280 HydrophobicContact CB-CB 4.25Å; V259-A280 HydrophobicContact CG2-CB 4.18Å; D277-A280 PolarHBondContact O-N 3.22Å
281S82.9Confident68.9Low49 Ų4978.3 Ų78.334%0.34343%0.433SS..EExtended strand (participates in β ladder)trans-121.7149177.263.10000111.6V259 T260V259-S281 CarbonylContact C-O 3.34Å; V259-S281 VanDerWaalsContact CA-O 3.24Å; V259-S281 WeakPolarHBondContact CA-O 3.41Å; T260-S281 PolarHBondContact N-O 3.38Å; T260-S281 PolarHBondContact O-N 3.07Å; T260-S281 PolarHBondContact OG1-O 3.37Å
282P87.8Confident71.6Confident13 Ų1376.6 Ų76.68%0.08441%0.411CS..EExtended strand (participates in β ladder)trans-60.8138.7175.3-23.533.9000112.9A106 L284 G285A106-P282 HydrophobicContact CB-CB 4.21Å; A106-P282 HydrophobicContact CB-CG 3.97Å; P282-L284 PolarHBondContact O-N 2.87Å; P282-G285 PolarHBondContact O-N 2.97Å
283A87.8Confident74.5Confident14 Ų1472.6 Ų72.612%0.11638%0.382CS..THydrogen-bonded Turntrans-66.8-10.9-164.500000116.8A216 R231 Q258 T260A216-A283 HydrophobicContact CB-CB 4.22Å; R231-A283 PolarHBondContact NH2-O 2.81Å; Q258-A283 WeakPolarHBondContact O-CB 3.46Å; Q258-A283 PolarHBondContact O-N 2.67Å; T260-A283 HydrophobicContact CG2-CB 3.82Å
284L89.6Confident77Confident7 Ų764 Ų644%0.03734%0.337CS..THydrogen-bonded Turntrans-102.3-1.3-173.9-67.1-177.2000114.2V215 A216 F219 L235 P282 W288V215-L284 HydrophobicContact CB-CD1 4.45Å; V215-L284 HydrophobicContact CG1-CD1 3.65Å; V215-L284 HydrophobicContact CG2-CD1 4.21Å; A216-L284 HydrophobicContact CB-CD1 4.39Å; A216-L284 HydrophobicContact CB-CD2 4.1Å; A216-L284 HydrophobicContact CB-CG 4.04Å; F219-L284 HydrophobicContact CB-CD2 3.92Å; F219-L284 HydrophobicContact CG-CD2 4.36Å; L235-L284 HydrophobicContact CD2-CD1 3.96Å; L235-L284 HydrophobicContact CD2-CD2 4.09Å; L235-L284 HydrophobicContact CD2-CG 4.47Å; P282-L284 PolarHBondContact O-N 2.87Å; L284-W288 HydrophobicContact CB-CB 3.45Å; L284-W288 VanDerWaalsContact CB-CB 3.45Å; L284-W288 HydrophobicContact CB-CG 3.68Å; L284-W288 HydrophobicContact CD1-CB 4.26Å; L284-W288 HydrophobicContact CD1-CD2 3.9Å; L284-W288 HydrophobicContact CD1-CG 3.73Å; L284-W288 HydrophobicContact CG-CG 4.38Å
285G89.1Confident80Confident43 Ų4363.5 Ų63.544%0.44332%0.322SS..Hα-helixtrans64.1-163.7172.800000115.1P282 T287 W288 A289P282-G285 PolarHBondContact O-N 2.97Å; G285-T287 PolarHBondContact O-N 3.16Å; G285-W288 PolarHBondContact O-N 2.82Å; G285-A289 PolarHBondContact O-N 2.81Å; G285-A289 VanDerWaalsContact O-N 3.09Å
286I88.6Confident82.9Confident124 Ų12454.5 Ų54.564%0.63628%0.282SS*.Hα-helixtrans-67.6-34.9-170.4-16762.9000113.4W288 A289 N290I286-W288 VanDerWaalsContact C-N 3.27Å; I286-W288 PolarHBondContact O-N 3.22Å; I286-A289 HydrophobicContact CD1-CB 4.32Å; I286-A289 PolarHBondContact O-N 2.82Å; I286-N290 PolarHBondContact O-N 3.4Å
287T92.1Very high85.3Confident35 Ų3548 Ų4822%0.21526%0.26CS..Hα-helixtrans-58.1-43.8-179.8-55.10000111.2A232 L235 Q236 G285 Q291A232-T287 HydrophobicContact CB-CG2 3.96Å; L235-T287 HydrophobicContact CB-CG2 4.11Å; Q236-T287 HydrophobicContact CG-CG2 3.79Å; G285-T287 PolarHBondContact O-N 3.16Å; T287-Q291 WeakPolarHBondContact O-CG 3.45Å; T287-Q291 PolarHBondContact O-NE2 3.4Å; T287-Q291 VanDerWaalsContact O-NE2 3.14Å
288W94.5Very high87.7Confident0 Ų043.7 Ų43.70%024%0.237CC..Hα-helixtrans-74.8-39.9176.3178.9-110.4000112.4I102 E104 V215 L235 L238 L242 C255 L284 G285 I286 N290 Q291 L292I102-W288 HydrophobicContact CD1-CH2 4.38Å; I102-W288 HydrophobicContact CG2-CH2 4.37Å; I102-W288 HydrophobicContact CG2-CZ2 4.21Å; E104-W288 PolarHBondContact OE1-NE1 2.8Å; V215-W288 HydrophobicContact CG1-CZ2 4.08Å; V215-W288 HydrophobicContact CG2-CH2 3.93Å; V215-W288 HydrophobicContact CG2-CZ2 4.02Å; V215-W288 HydrophobicContact CG2-CZ3 4.4Å; L235-W288 HydrophobicContact CD2-CE3 4.15Å; L238-W288 HydrophobicContact CD2-CZ3 4.41Å; L238-W288 HydrophobicContact CG-CZ3 4.5Å; L242-W288 HydrophobicContact CD1-CH2 4.05Å; C255-W288 HydrophobicContact CB-CH2 4.48Å; C255-W288 HydrophobicContact CB-CZ2 3.78Å; L284-W288 HydrophobicContact CB-CB 3.45Å; L284-W288 VanDerWaalsContact CB-CB 3.45Å; L284-W288 HydrophobicContact CB-CG 3.68Å; L284-W288 HydrophobicContact CD1-CB 4.26Å; L284-W288 HydrophobicContact CD1-CD2 3.9Å; L284-W288 HydrophobicContact CD1-CG 3.73Å; L284-W288 HydrophobicContact CG-CG 4.38Å; G285-W288 PolarHBondContact O-N 2.82Å; I286-W288 VanDerWaalsContact C-N 3.27Å; I286-W288 PolarHBondContact O-N 3.22Å; W288-N290 PolarHBondContact O-N 2.81Å; W288-Q291 HydrophobicContact CE3-CB 4.3Å; W288-Q291 HydrophobicContact CE3-CG 4.22Å; W288-Q291 HydrophobicContact CZ3-CB 4.5Å; W288-Q291 WeakPolarHBondContact O-CA 3.26Å; W288-Q291 VanDerWaalsContact O-CB 3.29Å; W288-Q291 WeakPolarHBondContact O-CB 3.41Å; W288-Q291 PolarHBondContact O-N 2.83Å; W288-L292 HydrophobicContact CZ2-CD2 3.77Å
289A93.2Very high89.6Confident17 Ų1738.5 Ų38.514%0.1421%0.212CC..Hα-helixtrans-53.7-39.3177.100000112.6G285 I286 Q291 L292G285-A289 PolarHBondContact O-N 2.81Å; G285-A289 VanDerWaalsContact O-N 3.09Å; I286-A289 HydrophobicContact CD1-CB 4.32Å; I286-A289 PolarHBondContact O-N 2.82Å; A289-Q291 PolarHBondContact O-N 2.92Å; A289-Q291 VanDerWaalsContact O-N 3.15Å; A289-L292 PolarHBondContact O-N 2.6Å
290N93.2Very high91Very high116 Ų11636.3 Ų36.362%0.6220%0.204SC*.THydrogen-bonded Turntrans-71.1-2.8177.3-67.7-14.7000114.1I286 W288I286-N290 PolarHBondContact O-N 3.4Å; W288-N290 PolarHBondContact O-N 2.81Å
291Q95.3Very high91.2Very high22 Ų2238.1 Ų38.110%0.10321%0.209CC..THydrogen-bonded Turntrans-95.9-12.9177.2-51.4-51.4-59.800113.6R243 T287 W288 A289R243-Q291 VanDerWaalsContact NH1-CB 3.29Å; R243-Q291 PolarHBondContact NH1-O 3.17Å; T287-Q291 WeakPolarHBondContact O-CG 3.45Å; T287-Q291 PolarHBondContact O-NE2 3.4Å; T287-Q291 VanDerWaalsContact O-NE2 3.14Å; W288-Q291 HydrophobicContact CE3-CB 4.3Å; W288-Q291 HydrophobicContact CE3-CG 4.22Å; W288-Q291 HydrophobicContact CZ3-CB 4.5Å; W288-Q291 WeakPolarHBondContact O-CA 3.26Å; W288-Q291 VanDerWaalsContact O-CB 3.29Å; W288-Q291 WeakPolarHBondContact O-CB 3.41Å; W288-Q291 PolarHBondContact O-N 2.83Å; A289-Q291 PolarHBondContact O-N 2.92Å; A289-Q291 VanDerWaalsContact O-N 3.15Å
292L95.9Very high90.4Very high18 Ų1842.1 Ų42.19%0.09422%0.217CC..  trans-92.3150.7-166.4-56.1175.3000112.6I102 E104 W288 A289 R295I102-L292 HydrophobicContact CB-CD2 4.06Å; I102-L292 HydrophobicContact CG2-CD2 3.58Å; E104-L292 HydrophobicContact CB-CD1 3.6Å; E104-L292 HydrophobicContact CB-CD2 3.86Å; E104-L292 HydrophobicContact CB-CG 4.34Å; E104-L292 HydrophobicContact CG-CD1 4.27Å; E104-L292 WeakPolarHBondContact OE2-CD1 3.34Å; W288-L292 HydrophobicContact CZ2-CD2 3.77Å; A289-L292 PolarHBondContact O-N 2.6Å; L292-R295 HydrophobicContact CD1-CB 4.42Å; L292-R295 VanDerWaalsContact CD1-NH2 3.31Å
293L95.7Very high89Confident50 Ų5048.2 Ų48.226%0.26224%0.244SC..SBendtrans-95.2-41.2165.3178.165.2000111.3P98 D100 I102 F319 P321P98-L293 HydrophobicContact CB-CD2 3.77Å; P98-L293 HydrophobicContact CG-CD2 3.95Å; D100-L293 WeakPolarHBondContact O-CD2 3.46Å; I102-L293 PolarHBondContact O-N 3.2Å; L293-F319 WeakPolarHBondContact O-CE1 3.44Å; L293-P321 HydrophobicContact CD1-CG 4.27Å; L293-P321 VanDerWaalsContact O-CD 3.23Å; L293-P321 WeakPolarHBondContact O-CD 3.21Å
294V96.2Very high87.4Confident2 Ų256.3 Ų56.31%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-130.4135.5-177.5-179.70000108.9P98 I102 T103 E104 L296 F319 A320P98-V294 HydrophobicContact CG-CG2 3.99Å; I102-V294 PolarHBondContact O-N 2.83Å; T103-V294 CarbonylContact C-O 3.52Å; T103-V294 WeakPolarHBondContact CA-O 3.45Å; T103-V294 HydrophobicContact CG2-CB 4.05Å; T103-V294 HydrophobicContact CG2-CG1 4.03Å; E104-V294 PolarHBondContact N-O 2.96Å; V294-L296 HydrophobicContact CG1-CD2 3.7Å; V294-L296 HydrophobicContact CG1-CG 3.96Å; V294-F319 CarbonylContact C-O 3.49Å; V294-F319 WeakPolarHBondContact CA-O 3.13Å; V294-A320 HydrophobicContact CB-CB 4.47Å; V294-A320 HydrophobicContact CG1-CB 4.25Å; V294-A320 HydrophobicContact CG2-CB 4.02Å
295R96.4Very high85.7Confident34 Ų3461.8 Ų61.813%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-123.5118.1169.5177.5175.2-77.3177.4-12.5109.8E104 L292 L318 F319E104-R295 IonicContact OE2-CZ 3.92Å; E104-R295 IonicContact OE2-NE 2.72Å; E104-R295 PolarHBondContact OE2-NE 2.85Å; E104-R295 IonicContact OE2-NH2 3.92Å; E104-R295 PolarHBondContact OE2-NH2 3.31Å; L292-R295 HydrophobicContact CD1-CB 4.42Å; L292-R295 VanDerWaalsContact CD1-NH2 3.31Å; R295-L318 HydrophobicContact CB-CB 4.44Å; R295-L318 HydrophobicContact CG-CB 4.08Å; R295-L318 HydrophobicContact CG-CD1 4.02Å; R295-L318 HydrophobicContact CG-CG 4.48Å; R295-L318 PolarHBondContact O-N 3.13Å; R295-F319 PolarHBondContact N-O 2.98Å; R295-F319 PolarHBondContact O-N 2.8Å
296L96.4Very high84Confident3 Ų361.1 Ų61.12%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-106.7139.7174.5-52.5-179.2000109.7L93 T103 E104 L105 A106 V294 L315 R316 V317L93-L296 HydrophobicContact CD1-CD1 3.96Å; L93-L296 HydrophobicContact CD2-CD1 4.38Å; L93-L296 HydrophobicContact CD2-CD2 3.69Å; T103-L296 HydrophobicContact CG2-CD1 4.17Å; T103-L296 HydrophobicContact CG2-CG 4.32Å; E104-L296 PolarHBondContact O-N 2.64Å; L105-L296 HydrophobicContact CD1-CB 3.95Å; A106-L296 PolarHBondContact N-O 2.81Å; V294-L296 HydrophobicContact CG1-CD2 3.7Å; V294-L296 HydrophobicContact CG1-CG 3.96Å; L296-L315 HydrophobicContact CB-CD1 3.99Å; L296-L315 HydrophobicContact CD1-CD1 4.49Å; L296-L315 HydrophobicContact CD1-CD2 4.48Å; L296-R316 CarbonylContact C-O 3.54Å; L296-R316 WeakPolarHBondContact CA-O 3.47Å; L296-V317 HydrophobicContact CD2-CB 4.4Å; L296-V317 HydrophobicContact CD2-CG2 3.91Å
297L95.1Very high82.2Confident24 Ų2459.5 Ų59.513%0.12630%0.301CS..EExtended strand (participates in β ladder)trans-113.2120.8173.1-174.968.9000109.5A106 V259 E299 L315 R316 L318A106-L297 HydrophobicContact CB-CD1 4.26Å; A106-L297 WeakPolarHBondContact O-CA 3.32Å; V259-L297 HydrophobicContact CG1-CD1 4.17Å; L297-E299 VanDerWaalsContact CD2-CD 3.47Å; L297-E299 HydrophobicContact CD2-CG 3.77Å; L297-E299 WeakPolarHBondContact CD2-OE1 3.33Å; L297-E299 HydrophobicContact CG-CG 3.71Å; L297-L315 CarbonylContact O-C 3.49Å; L297-L315 WeakPolarHBondContact O-CA 3.29Å; L297-R316 PolarHBondContact N-O 2.92Å; L297-R316 PolarHBondContact O-N 3.32Å; L297-L318 HydrophobicContact CB-CD1 3.74Å; L297-L318 HydrophobicContact CB-CD2 4.05Å; L297-L318 HydrophobicContact CB-CG 3.71Å; L297-L318 HydrophobicContact CD2-CD1 4.23Å; L297-L318 HydrophobicContact CD2-CD2 4.1Å; L297-L318 HydrophobicContact CD2-CG 4.49Å; L297-L318 HydrophobicContact CG-CD1 4.39Å
298A94.8Very high80.2Confident2 Ų266.8 Ų66.82%0.01734%0.337CS..EExtended strand (participates in β ladder)trans-98.8121172.300000109.9L105 A106 G107 V111 K113 T314 L315 Y330L105-A298 HydrophobicContact CD1-CB 4.01Å; A106-A298 PolarHBondContact O-N 3.34Å; G107-A298 WeakPolarHBondContact CA-O 3.49Å; V111-A298 HydrophobicContact CB-CB 4.12Å; V111-A298 HydrophobicContact CG2-CB 3.57Å; V111-A298 WeakPolarHBondContact CG2-O 3.43Å; K113-A298 HydrophobicContact CG-CB 4.49Å; A298-T314 WeakPolarHBondContact CA-O 3.21Å; A298-L315 HydrophobicContact CB-CD1 4.25Å; A298-Y330 WeakPolarHBondContact CB-OH 3.44Å
299E90.8Very high78.3Confident59 Ų5969.1 Ų69.128%0.27636%0.361SS..EExtended strand (participates in β ladder)trans-122.7152.5-176.1-56.3-176.3107.100110.1L297 R313 T314 R316L297-E299 VanDerWaalsContact CD2-CD 3.47Å; L297-E299 HydrophobicContact CD2-CG 3.77Å; L297-E299 WeakPolarHBondContact CD2-OE1 3.33Å; L297-E299 HydrophobicContact CG-CG 3.71Å; E299-R313 CarbonylContact O-C 3.54Å; E299-R313 WeakPolarHBondContact O-CA 3.46Å; E299-R313 WeakPolarHBondContact O-CB 3.44Å; E299-T314 PolarHBondContact N-O 2.78Å; E299-T314 PolarHBondContact O-N 2.93Å; E299-R316 IonicContact OE2-CZ 2.66Å; E299-R316 IonicContact OE2-NH2 3.33Å
300R86.9Confident76.5Confident103 Ų10371.3 Ų71.339%0.38939%0.385SS..EExtended strand (participates in β ladder)trans-117.8117169179.3178.1176.5-179.9-3.6106.6V111 E303 R313V111-R300 HydrophobicContact CG1-CB 4.11Å; R300-E303 IonicContact NH2-OE1 2.8Å; R300-E303 PolarHBondContact NH2-OE1 2.93Å; R300-R313 HydrophobicContact CB-CG 4.38Å; R300-R313 HydrophobicContact CG-CG 4.44Å
301L73.9Confident74.7Confident65 Ų6568.2 Ų68.234%0.3437%0.372SS..  trans-60.7142.9173-77.4144000109.3A312L301-A312 HydrophobicContact CB-CB 4.35Å; L301-A312 WeakPolarHBondContact CB-O 3.42Å; L301-A312 HydrophobicContact CD1-CB 3.5Å; L301-A312 PolarHBondContact N-O 3.03Å
302R65.9Low73.8Confident133 Ų13368.7 Ų68.750%0.50238%0.38SS..  trans-67.9147.6177.9-68.1-172.3174.7101.8-1109E304 E305 A306R302-E304 PolarHBondContact O-N 3.38Å; R302-E304 VanDerWaalsContact O-N 3.13Å; R302-E305 PolarHBondContact O-N 3Å; R302-A306 PolarHBondContact O-N 3.36Å
303E57.3Low73.5Confident142 Ų14269.7 Ų69.766%0.66438%0.382SS*.THydrogen-bonded Turntrans-60.4-24.2-178-71.6177.3177.500112.6R300 A306R300-E303 IonicContact NH2-OE1 2.8Å; R300-E303 PolarHBondContact NH2-OE1 2.93Å; E303-A306 PolarHBondContact O-N 3.33Å
304E55Low73.4Confident184 Ų18468.1 Ų68.186%0.8638%0.375SS*.THydrogen-bonded Turntrans-71.2-28.6176.7-63.3170.2-176.100113.6R302R302-E304 PolarHBondContact O-N 3.38Å; R302-E304 VanDerWaalsContact O-N 3.13Å
305E53.5Low73.3Confident122 Ų12268.1 Ų68.157%0.5738%0.375SS*.THydrogen-bonded Turntrans-89.4-12.3178-65167.8159.700111.8R302 A307R302-E305 PolarHBondContact O-N 3Å; E305-A307 PolarHBondContact O-N 2.93Å
306A54.5Low73.2Confident28 Ų2869.9 Ų69.923%0.23138%0.381CS..  trans-83.864.5-179.700000110.3R302 E303 L308 G309R302-A306 PolarHBondContact O-N 3.36Å; E303-A306 PolarHBondContact O-N 3.33Å; A306-L308 PolarHBondContact O-N 3.04Å; A306-G309 WeakPolarHBondContact CB-O 3.38Å
307A48.7Very low73.1Confident91 Ų9169.9 Ų69.975%0.75238%0.382SS*.THydrogen-bonded Turntrans-62.1101.8172.500000109.4E305E305-A307 PolarHBondContact O-N 2.93Å
308L51.3Low72.9Confident187 Ų18771.6 Ų71.698%0.97939%0.39SS*.THydrogen-bonded Turntrans79.216.3168.9-59.8156.9000118.7A306A306-L308 PolarHBondContact O-N 3.04Å
309G54.3Low72.7Confident49 Ų4976.1 Ų76.151%0.50541%0.41SS..SBendtrans-149.3146.4174.100000111.6A306A306-G309 WeakPolarHBondContact CB-O 3.38Å
310G54.5Low72.8Confident63 Ų6373.7 Ų73.765%0.64940%0.4SS*.SBendtrans-54.3172.8-178.200000114A312G310-A312 PolarHBondContact O-N 3.31Å
311P56.3Low72.9Confident51 Ų5173.3 Ų73.333%0.33141%0.411SS..  trans-55.7103.2-16722.7-34.1000111.7R313P311-R313 PolarHBondContact O-N 3.34Å
312A75.9Confident73.5Confident33 Ų3373.7 Ų73.727%0.27341%0.411SS..  trans-72.2119.6-178.800000108.3L301 G310L301-A312 HydrophobicContact CB-CB 4.35Å; L301-A312 WeakPolarHBondContact CB-O 3.42Å; L301-A312 HydrophobicContact CD1-CB 3.5Å; L301-A312 PolarHBondContact N-O 3.03Å; G310-A312 PolarHBondContact O-N 3.31Å
313R90.6Very high74.5Confident39 Ų3968.1 Ų68.115%0.14739%0.391CS..EExtended strand (participates in β ladder)trans-97.7144.9168.5-60.9177176.680.2-3.1108.2V111 E299 R300 P311 S329 Y330V111-R313 WeakPolarHBondContact O-CD 3.47Å; E299-R313 CarbonylContact O-C 3.54Å; E299-R313 WeakPolarHBondContact O-CA 3.46Å; E299-R313 WeakPolarHBondContact O-CB 3.44Å; R300-R313 HydrophobicContact CB-CG 4.38Å; R300-R313 HydrophobicContact CG-CG 4.44Å; P311-R313 PolarHBondContact O-N 3.34Å; R313-S329 CarbonylContact O-C 3.51Å; R313-S329 WeakPolarHBondContact O-CA 3.41Å; R313-Y330 HydrophobicContact CB-CD1 4Å; R313-Y330 HydrophobicContact CB-CD2 3.99Å; R313-Y330 HydrophobicContact CB-CE1 3.62Å; R313-Y330 HydrophobicContact CB-CE2 3.62Å; R313-Y330 HydrophobicContact CB-CG 4.18Å; R313-Y330 VanDerWaalsContact CB-CZ 3.42Å; R313-Y330 HydrophobicContact CG-CE2 4.24Å; R313-Y330 PolarHBondContact O-N 3.04Å
314T92.8Very high75.9Confident16 Ų1664.6 Ų64.610%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-126.8133.6179.6-58.30000109.2A298 E299 C328 Y330A298-T314 WeakPolarHBondContact CA-O 3.21Å; E299-T314 PolarHBondContact N-O 2.78Å; E299-T314 PolarHBondContact O-N 2.93Å; T314-C328 WeakPolarHBondContact CA-O 3.15Å; T314-Y330 VanDerWaalsContact C-CE1 3.46Å
315L94.8Very high77.4Confident3 Ų360.3 Ų60.32%0.01637%0.368CS..EExtended strand (participates in β ladder)trans-105.5117.3171.8-173.166.5000107.4L89 L92 L105 L296 L297 A298 S327 C328 Y330L89-L315 HydrophobicContact CD2-CD2 4.23Å; L92-L315 HydrophobicContact CD2-CB 4.25Å; L92-L315 HydrophobicContact CD2-CD2 3.97Å; L92-L315 HydrophobicContact CD2-CG 4.09Å; L105-L315 HydrophobicContact CD1-CD1 3.71Å; L296-L315 HydrophobicContact CB-CD1 3.99Å; L296-L315 HydrophobicContact CD1-CD1 4.49Å; L296-L315 HydrophobicContact CD1-CD2 4.48Å; L297-L315 CarbonylContact O-C 3.49Å; L297-L315 WeakPolarHBondContact O-CA 3.29Å; A298-L315 HydrophobicContact CB-CD1 4.25Å; L315-S327 CarbonylContact O-C 3.54Å; L315-S327 VanDerWaalsContact O-CA 3.26Å; L315-S327 WeakPolarHBondContact O-CA 3.42Å; L315-C328 PolarHBondContact N-O 2.88Å; L315-C328 PolarHBondContact O-N 3.22Å; L315-Y330 HydrophobicContact CB-CD1 3.8Å; L315-Y330 HydrophobicContact CB-CE1 3.79Å
316R93.9Very high79.2Confident70 Ų7055.1 Ų55.126%0.26435%0.345SS..EExtended strand (participates in β ladder)trans-113.9136.5-178.7-175.3-179.7-65.5179.14110.6L296 L297 E299 L318 S326L296-R316 CarbonylContact C-O 3.54Å; L296-R316 WeakPolarHBondContact CA-O 3.47Å; L297-R316 PolarHBondContact N-O 2.92Å; L297-R316 PolarHBondContact O-N 3.32Å; E299-R316 IonicContact OE2-CZ 2.66Å; E299-R316 IonicContact OE2-NH2 3.33Å; R316-L318 HydrophobicContact CG-CD2 4.27Å; R316-L318 PolarHBondContact O-N 2.86Å; R316-S326 WeakPolarHBondContact CA-O 3.25Å
317V94.7Very high81Confident4 Ų454.4 Ų54.42%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-80.3107.2167-176.30000107.6L92 L93 L296 A320 L323 S326L92-V317 HydrophobicContact CD1-CG2 4.27Å; L92-V317 HydrophobicContact CG-CG2 4.18Å; L93-V317 HydrophobicContact CD2-CG2 3.77Å; L296-V317 HydrophobicContact CD2-CB 4.4Å; L296-V317 HydrophobicContact CD2-CG2 3.91Å; V317-A320 HydrophobicContact CG1-CB 3.98Å; V317-L323 HydrophobicContact CG1-CB 4.33Å; V317-L323 HydrophobicContact CG1-CD1 4.21Å; V317-L323 HydrophobicContact CG2-CD1 4.28Å; V317-S326 PolarHBondContact N-O 3.07Å
318L91.1Very high83Confident59 Ų5950 Ų5031%0.30930%0.303SS..EExtended strand (participates in β ladder)trans-79.1-41.3175.8-67.5-173.6000111.3R295 L297 R316R295-L318 HydrophobicContact CB-CB 4.44Å; R295-L318 HydrophobicContact CG-CB 4.08Å; R295-L318 HydrophobicContact CG-CD1 4.02Å; R295-L318 HydrophobicContact CG-CG 4.48Å; R295-L318 PolarHBondContact O-N 3.13Å; L297-L318 HydrophobicContact CB-CD1 3.74Å; L297-L318 HydrophobicContact CB-CD2 4.05Å; L297-L318 HydrophobicContact CB-CG 3.71Å; L297-L318 HydrophobicContact CD2-CD1 4.23Å; L297-L318 HydrophobicContact CD2-CD2 4.1Å; L297-L318 HydrophobicContact CD2-CG 4.49Å; L297-L318 HydrophobicContact CG-CD1 4.39Å; R316-L318 HydrophobicContact CG-CD2 4.27Å; R316-L318 PolarHBondContact O-N 2.86Å
319F90.2Very high85Confident98 Ų9842.4 Ų42.443%0.4327%0.265SS..EExtended strand (participates in β ladder)trans-155.8130.5177.8152.3-102000109.8L293 V294 R295 P321L293-F319 WeakPolarHBondContact O-CE1 3.44Å; V294-F319 CarbonylContact C-O 3.49Å; V294-F319 WeakPolarHBondContact CA-O 3.13Å; R295-F319 PolarHBondContact N-O 2.98Å; R295-F319 PolarHBondContact O-N 2.8Å; F319-P321 HydrophobicContact CE2-CG 3.72Å; F319-P321 HydrophobicContact CZ-CG 3.72Å
320A92.2Very high86.9Confident8 Ų840.6 Ų40.67%0.06624%0.243CC..  trans-157.8125.6163.700000107.2V294 V317 H322 L323V294-A320 HydrophobicContact CB-CB 4.47Å; V294-A320 HydrophobicContact CG1-CB 4.25Å; V294-A320 HydrophobicContact CG2-CB 4.02Å; V317-A320 HydrophobicContact CG1-CB 3.98Å; A320-H322 PolarHBondContact O-N 3.16Å; A320-L323 HydrophobicContact CB-CB 3.99Å; A320-L323 HydrophobicContact CB-CD1 3.89Å; A320-L323 HydrophobicContact CB-CG 4Å; A320-L323 PolarHBondContact O-N 2.79Å; A320-L323 VanDerWaalsContact O-O 3.08Å
321P89.4Confident88.8Confident95 Ų9541 Ų4162%0.61723%0.233SC*.THydrogen-bonded Turntrans-60.8-19.6-175.2-25.133000114.9L293 F319L293-P321 HydrophobicContact CD1-CG 4.27Å; L293-P321 VanDerWaalsContact O-CD 3.23Å; L293-P321 WeakPolarHBondContact O-CD 3.21Å; F319-P321 HydrophobicContact CE2-CG 3.72Å; F319-P321 HydrophobicContact CZ-CG 3.72Å
322H85.8Confident90.6Very high73 Ų7340.7 Ų40.734%0.33823%0.228SC..THydrogen-bonded Turntrans-107.21-174.763.2-82000113.5A320A320-H322 PolarHBondContact O-N 3.16Å
323L87.7Confident91.5Very high16 Ų1641.3 Ų41.38%0.08423%0.23CC..SBendtrans-124144179.7-56.9174.1000109.9L93 C94 V317 A320L93-L323 HydrophobicContact CD2-CD1 3.81Å; C94-L323 HydrophobicContact CB-CD2 3.78Å; C94-L323 WeakPolarHBondContact SG-CD2 3.32Å; V317-L323 HydrophobicContact CG1-CB 4.33Å; V317-L323 HydrophobicContact CG1-CD1 4.21Å; V317-L323 HydrophobicContact CG2-CD1 4.28Å; A320-L323 HydrophobicContact CB-CB 3.99Å; A320-L323 HydrophobicContact CB-CD1 3.89Å; A320-L323 HydrophobicContact CB-CG 4Å; A320-L323 PolarHBondContact O-N 2.79Å; A320-L323 VanDerWaalsContact O-O 3.08Å
324P86.4Confident91.7Very high68 Ų6841.6 Ų41.644%0.44224%0.241SC..  trans-66.1155164.731.2-34.2000109.9S326P324-S326 PolarHBondContact O-N 2.81Å; P324-S326 PolarHBondContact O-OG 3.36Å
325P86.3Confident91.8Very high94 Ų9442.7 Ų42.761%0.6125%0.245SC*.SBendtrans-47.5129.5160.4-23.834.6000108.7
326S91.2Very high91.8Very high12 Ų1242.6 Ų42.68%0.08425%0.245CC..EExtended strand (participates in β ladder)trans-161.9157.3-178.449.40000110.9L92 R316 V317 P324 S345L92-S326 WeakPolarHBondContact CD1-OG 3.25Å; R316-S326 WeakPolarHBondContact CA-O 3.25Å; V317-S326 PolarHBondContact N-O 3.07Å; P324-S326 PolarHBondContact O-N 2.81Å; P324-S326 PolarHBondContact O-OG 3.36Å; S326-S345 CarbonylContact C-O 3.59Å; S326-S345 WeakPolarHBondContact CA-O 3.37Å; S326-S345 WeakPolarHBondContact CB-O 3.42Å
327S92.3Very high91.9Very high13 Ų1339.3 Ų39.39%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-142.1155.8174.885.80000111.7L315 Q344 S345L315-S327 CarbonylContact O-C 3.54Å; L315-S327 VanDerWaalsContact O-CA 3.26Å; L315-S327 WeakPolarHBondContact O-CA 3.42Å; S327-Q344 VanDerWaalsContact O-CA 3.25Å; S327-Q344 WeakPolarHBondContact O-CA 3.16Å; S327-S345 PolarHBondContact N-O 3.38Å; S327-S345 PolarHBondContact O-N 2.97Å; S327-S345 PolarHBondContact OG-OG 2.75Å
328C92.1Very high91.8Very high0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-143.1137.1175.7-175.30000109.6V88 L92 T314 L315 Q344V88-C328 WeakPolarHBondContact CG1-SG 3.08Å; L92-C328 HydrophobicContact CB-CB 4.44Å; L92-C328 HydrophobicContact CD1-CB 4.18Å; L92-C328 HydrophobicContact CD2-CB 3.96Å; L92-C328 HydrophobicContact CG-CB 4.42Å; T314-C328 WeakPolarHBondContact CA-O 3.15Å; L315-C328 PolarHBondContact N-O 2.88Å; L315-C328 PolarHBondContact O-N 3.22Å; C328-Q344 HydrophobicContact CB-CG 4.36Å
329S93.1Very high91.9Very high27 Ų2740.5 Ų40.519%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-73.2151.8169.9-55.30000111.3R313 G339 T340 T343R313-S329 CarbonylContact O-C 3.51Å; R313-S329 WeakPolarHBondContact O-CA 3.41Å; S329-G339 CarbonylContact O-C 3.44Å; S329-G339 WeakPolarHBondContact O-CA 3.39Å; S329-T340 PolarHBondContact O-N 2.99Å; S329-T343 WeakPolarHBondContact CB-OG1 3.15Å; S329-T343 PolarHBondContact N-OG1 3.07Å
330Y93.9Very high91.9Very high10 Ų1038.1 Ų38.14%0.03923%0.229CC..EExtended strand (participates in β ladder)trans-147160.617669.1-88.2000112.1V111 A298 R313 T314 L315 I332 V337 R338V111-Y330 PolarHBondContact O-OH 3.36Å; A298-Y330 WeakPolarHBondContact CB-OH 3.44Å; R313-Y330 HydrophobicContact CB-CD1 4Å; R313-Y330 HydrophobicContact CB-CD2 3.99Å; R313-Y330 HydrophobicContact CB-CE1 3.62Å; R313-Y330 HydrophobicContact CB-CE2 3.62Å; R313-Y330 HydrophobicContact CB-CG 4.18Å; R313-Y330 VanDerWaalsContact CB-CZ 3.42Å; R313-Y330 HydrophobicContact CG-CE2 4.24Å; R313-Y330 PolarHBondContact O-N 3.04Å; T314-Y330 VanDerWaalsContact C-CE1 3.46Å; L315-Y330 HydrophobicContact CB-CD1 3.8Å; L315-Y330 HydrophobicContact CB-CE1 3.79Å; Y330-I332 HydrophobicContact CD2-CG1 4.23Å; Y330-I332 HydrophobicContact CE2-CD1 4.16Å; Y330-I332 HydrophobicContact CE2-CG1 4.07Å; Y330-V337 HydrophobicContact CD2-CG1 3.54Å; Y330-V337 HydrophobicContact CE2-CG1 4.11Å; Y330-V337 HydrophobicContact CG-CG1 4.19Å; Y330-R338 CarbonylContact C-O 3.59Å; Y330-R338 WeakPolarHBondContact CA-O 3.24Å; Y330-R338 VanDerWaalsContact CB-O 3.32Å; Y330-R338 WeakPolarHBondContact CB-O 3.43Å
331T93.6Very high91.5Very high71 Ų7142.6 Ų42.644%0.43626%0.257SS..EExtended strand (participates in β ladder)trans-122.5158.2176.860.40000110.1V337 R338T331-V337 WeakPolarHBondContact O-CA 3.49Å; T331-R338 PolarHBondContact N-O 2.8Å; T331-R338 PolarHBondContact O-N 3.44Å
332I94.3Very high90.9Very high45 Ų4542.2 Ų42.223%0.23127%0.27CS..EExtended strand (participates in β ladder)trans-124.3118.9176.1-53.5176.7000106.7G112 Q115 Y330 G336 V337G112-I332 VanDerWaalsContact CA-CD1 3.49Å; Q115-I332 HydrophobicContact CB-CD1 4.44Å; Q115-I332 HydrophobicContact CB-CG2 4.28Å; Q115-I332 HydrophobicContact CG-CD1 4.24Å; Q115-I332 HydrophobicContact CG-CG2 3.94Å; Y330-I332 HydrophobicContact CD2-CG1 4.23Å; Y330-I332 HydrophobicContact CE2-CD1 4.16Å; Y330-I332 HydrophobicContact CE2-CG1 4.07Å; I332-G336 WeakPolarHBondContact CA-O 3.33Å; I332-V337 HydrophobicContact CG1-CG2 4.38Å
333S94.8Very high90.3Very high46 Ų4640.7 Ų40.732%0.32227%0.267SS..EExtended strand (participates in β ladder)trans-124.5-172.3-179.176.20000111R150 E335 G336R150-S333 PolarHBondContact NH2-O 2.93Å; S333-E335 PolarHBondContact O-N 2.74Å; S333-E335 PolarHBondContact OG-N 2.8Å; S333-G336 PolarHBondContact N-O 2.96Å; S333-G336 PolarHBondContact O-N 3.35Å
334A94.8Very high89.6Confident45 Ų4543.6 Ų43.637%0.37228%0.28SS..THydrogen-bonded Turntrans-55.7-30.8171.300000112.5R150R150-A334 PolarHBondContact NH1-O 3.46Å
335E94.3Very high88.7Confident39 Ų3943.1 Ų43.118%0.18228%0.278CS..THydrogen-bonded Turntrans-82.2-23.9-174-56.7172.1170.300113.8Q157 R160 S333 R338Q157-E335 HydrophobicContact CB-CB 4.12Å; Q157-E335 HydrophobicContact CB-CG 4.13Å; Q157-E335 HydrophobicContact CG-CG 4.44Å; R160-E335 HydrophobicContact CB-CG 4.08Å; R160-E335 WeakPolarHBondContact CB-OE1 3.41Å; R160-E335 WeakPolarHBondContact CD-OE1 3.27Å; S333-E335 PolarHBondContact O-N 2.74Å; S333-E335 PolarHBondContact OG-N 2.8Å; E335-R338 IonicContact OE2-CZ 2.7Å; E335-R338 IonicContact OE2-NE 2.64Å; E335-R338 PolarHBondContact OE2-NE 2.69Å; E335-R338 IonicContact OE2-NH2 3.99Å; E335-R338 PolarHBondContact OE2-NH2 2.9Å
336G94.9Very high87.3Confident1 Ų147.4 Ų47.41%0.0129%0.289CS..EExtended strand (participates in β ladder)trans135.6-155.2-176.800000112.4I332 S333I332-G336 WeakPolarHBondContact CA-O 3.33Å; S333-G336 PolarHBondContact N-O 2.96Å; S333-G336 PolarHBondContact O-N 3.35Å
337V95.9Very high87.1Confident1 Ų149.2 Ų49.21%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-94123.2178.4-170.90000109L89 Q115 L116 Q119 Y330 T331 I332L89-V337 HydrophobicContact CD1-CG1 4.02Å; Q115-V337 HydrophobicContact CB-CG2 3.69Å; L116-V337 HydrophobicContact CB-CG2 4.27Å; L116-V337 HydrophobicContact CD1-CB 4.35Å; L116-V337 HydrophobicContact CD1-CG1 4.41Å; Q119-V337 PolarHBondContact NE2-O 3.2Å; Q119-V337 PolarHBondContact OE1-O 3.29Å; Y330-V337 HydrophobicContact CD2-CG1 3.54Å; Y330-V337 HydrophobicContact CE2-CG1 4.11Å; Y330-V337 HydrophobicContact CG-CG1 4.19Å; T331-V337 WeakPolarHBondContact O-CA 3.49Å; I332-V337 HydrophobicContact CG1-CG2 4.38Å
338R94.4Very high86.8Confident79 Ų7951.1 Ų51.130%0.29831%0.311SS..EExtended strand (participates in β ladder)trans-126128.5175.6-71.3-177.1-177.3-111.86.6110.4R160 L161 Y330 T331 E335R160-R338 VanDerWaalsContact C-NH2 3.33Å; R160-R338 PolarHBondContact O-NH2 3.18Å; L161-R338 HydrophobicContact CD1-CG 3.75Å; Y330-R338 CarbonylContact C-O 3.59Å; Y330-R338 WeakPolarHBondContact CA-O 3.24Å; Y330-R338 VanDerWaalsContact CB-O 3.32Å; Y330-R338 WeakPolarHBondContact CB-O 3.43Å; T331-R338 PolarHBondContact N-O 2.8Å; T331-R338 PolarHBondContact O-N 3.44Å; E335-R338 IonicContact OE2-CZ 2.7Å; E335-R338 IonicContact OE2-NE 2.64Å; E335-R338 PolarHBondContact OE2-NE 2.69Å; E335-R338 IonicContact OE2-NH2 3.99Å; E335-R338 PolarHBondContact OE2-NH2 2.9Å
339G92.5Very high86.6Confident9 Ų953.9 Ų53.99%0.09333%0.328CS..EExtended strand (participates in β ladder)trans-67147.2167.700000111.3C86 S329C86-G339 PolarHBondContact SG-N 2.7Å; S329-G339 CarbonylContact O-C 3.44Å; S329-G339 WeakPolarHBondContact O-CA 3.39Å
340T90.3Very high86.2Confident49 Ų4955.5 Ų55.530%0.30134%0.336SS..PPolyproline II helixtrans-93.3116.1178.3-54.10000109S329 T343S329-T340 PolarHBondContact O-N 2.99Å; T340-T343 HydrophobicContact CG2-CG2 3.79Å; T340-T343 PolarHBondContact O-OG1 3.41Å
341P82.6Confident85.7Confident101 Ų10158.3 Ų58.366%0.65636%0.355SS*.THydrogen-bonded Turntrans-55.5148178-22.932.3000112.4V88 T343V88-P341 HydrophobicContact CG2-CB 4.5Å; V88-P341 HydrophobicContact CG2-CG 3.93Å; P341-T343 PolarHBondContact O-N 3.4Å
342G76.9Confident85.2Confident87 Ų8757.5 Ų57.590%0.89735%0.349SS*.THydrogen-bonded Turntrans75.44.517600000115.7
343T74.6Confident84.5Confident42 Ų4258.4 Ų58.426%0.25836%0.358SS..  trans-101.211.1177.264.60000113.4S329 T340 P341 S345S329-T343 WeakPolarHBondContact CB-OG1 3.15Å; S329-T343 PolarHBondContact N-OG1 3.07Å; T340-T343 HydrophobicContact CG2-CG2 3.79Å; T340-T343 PolarHBondContact O-OG1 3.41Å; P341-T343 PolarHBondContact O-N 3.4Å; T343-S345 PolarHBondContact O-N 3.4Å
344Q72.1Confident83.7Confident76 Ų7659.3 Ų59.336%0.35536%0.361SS..  trans-74.1117.2177.8-71.1-179.63.100109.8V88 S91 S327 C328V88-Q344 PolarHBondContact O-NE2 3.13Å; S91-Q344 PolarHBondContact OG-NE2 2.9Å; S91-Q344 VanDerWaalsContact OG-NE2 3.16Å; S327-Q344 VanDerWaalsContact O-CA 3.25Å; S327-Q344 WeakPolarHBondContact O-CA 3.16Å; C328-Q344 HydrophobicContact CB-CG 4.36Å
345S68.2Low82.8Confident59 Ų5960.5 Ų60.541%0.41336%0.36SS..BIsolated β-bridgetrans-106.9136.2169.569.10000109.1S326 S327 T343S326-S345 CarbonylContact C-O 3.59Å; S326-S345 WeakPolarHBondContact CA-O 3.37Å; S326-S345 WeakPolarHBondContact CB-O 3.42Å; S327-S345 PolarHBondContact N-O 3.38Å; S327-S345 PolarHBondContact O-N 2.97Å; S327-S345 PolarHBondContact OG-OG 2.75Å; T343-S345 PolarHBondContact O-N 3.4Å
346H56.8Low81.8Confident183 Ų18362.5 Ų62.585%0.84738%0.376SS*.  trans-97.10171.6-71.3-64.6000111.3

Retrieved 346 of 346 residues in 835.3 ms (Link to these results)

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