G4VD51_SCHMA Loading...

ZZ-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VD51, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 278 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
1M72.5Confident71.1Confident161 Ų16137.5 Ų37.579%0.79319%0.186SC*.  0119.50-177.6175.571.300106.8Y23M1-Y23 HydrophobicContact CE-CD1 3.63Å; M1-Y23 HydrophobicContact CE-CE1 3.98Å; M1-Y23 HydrophobicContact SD-CD1 3.89Å
2L80.9Confident68.8Low28 Ų2843.8 Ų43.815%0.14722%0.219CC..EExtended strand (participates in β ladder)trans-88.3131.1-180178.367.4000109V4 F24 I31 I74 I78 P86L2-V4 HydrophobicContact CD2-CG2 4.27Å; L2-V4 HydrophobicContact CG-CG2 4.25Å; L2-F24 HydrophobicContact CB-CB 4.35Å; L2-F24 PolarHBondContact N-O 3Å; L2-F24 PolarHBondContact O-N 3.38Å; L2-I31 HydrophobicContact CD2-CD1 4.33Å; L2-I74 HydrophobicContact CD2-CG2 4.04Å; L2-I78 HydrophobicContact CD1-CD1 4.03Å; L2-P86 HydrophobicContact CD1-CG 4.42Å
3I83.5Confident66.8Low50 Ų5043.2 Ų43.226%0.25622%0.221SC..EExtended strand (participates in β ladder)trans-107.6120.2175.9-56.1176.5000107.1K21 Y23I3-K21 HydrophobicContact CG2-CB 4.28Å; I3-Y23 HydrophobicContact CD1-CD1 4.4Å; I3-Y23 HydrophobicContact CD1-CE1 3.95Å; I3-Y23 HydrophobicContact CG1-CD1 3.94Å; I3-Y23 HydrophobicContact CG1-CE1 3.96Å
4V82.7Confident65.3Low0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-108.8119.6171.9179.60000107.4L2 V6 L22 F24 I31 I74 P86 L88L2-V4 HydrophobicContact CD2-CG2 4.27Å; L2-V4 HydrophobicContact CG-CG2 4.25Å; V4-V6 HydrophobicContact CG1-CG2 4.27Å; V4-L22 PolarHBondContact N-O 3.1Å; V4-L22 PolarHBondContact O-N 2.95Å; V4-F24 HydrophobicContact CB-CD2 4.43Å; V4-F24 HydrophobicContact CB-CE2 3.97Å; V4-F24 HydrophobicContact CG2-CD2 3.95Å; V4-F24 HydrophobicContact CG2-CE2 3.81Å; V4-I31 HydrophobicContact CG2-CD1 4.22Å; V4-I74 HydrophobicContact CG2-CD1 4.39Å; V4-P86 HydrophobicContact CG1-CB 4.38Å; V4-P86 HydrophobicContact CG2-CB 4.41Å; V4-L88 HydrophobicContact CG1-CD1 3.67Å; V4-L88 HydrophobicContact CG1-CG 3.88Å
5H83.5Confident64Low24 Ų2448.6 Ų48.611%0.11125%0.246CC..EExtended strand (participates in β ladder)trans-77.1131169.7-68.2159.3000108.8I19 T20 K21 T85 P86 L87 L88H5-I19 HydrophobicContact CB-CG2 3.93Å; H5-T20 WeakPolarHBondContact CA-O 3.29Å; H5-K21 WeakPolarHBondContact NE2-CE 3.22Å; H5-T85 PolarHBondContact CE1-OG1 3.1Å; H5-T85 VanDerWaalsContact CE1-OG1 3.24Å; H5-T85 PolarHBondContact ND1-OG1 2.92Å; H5-P86 PolarHBondContact N-O 3.3Å; H5-L87 HydrophobicContact CB-CD1 3.64Å; H5-L87 CarbonylContact O-C 3.52Å; H5-L87 WeakPolarHBondContact O-CA 3.37Å; H5-L88 PolarHBondContact O-N 3.11Å
6V81.5Confident63.4Low0 Ų052.9 Ų52.90%027%0.265CS..EExtended strand (participates in β ladder)trans-118.8114.2172.2-174.80000108.6V4 L8 I19 T20 L22 L36 L40 L88 A90V4-V6 HydrophobicContact CG1-CG2 4.27Å; V6-L8 HydrophobicContact CG1-CD2 4.33Å; V6-L8 HydrophobicContact CG1-CG 4.25Å; V6-L8 PolarHBondContact O-N 3.12Å; V6-I19 WeakPolarHBondContact O-CA 3.47Å; V6-T20 HydrophobicContact CB-CG2 3.87Å; V6-T20 PolarHBondContact N-O 3.02Å; V6-T20 PolarHBondContact O-N 3.3Å; V6-L22 HydrophobicContact CG2-CD1 3.53Å; V6-L22 HydrophobicContact CG2-CG 3.9Å; V6-L36 HydrophobicContact CG2-CD1 4.49Å; V6-L40 HydrophobicContact CB-CD2 4.41Å; V6-L40 HydrophobicContact CG1-CD2 3.89Å; V6-L40 HydrophobicContact CG2-CD2 4.33Å; V6-L88 CarbonylContact C-O 3.5Å; V6-L88 VanDerWaalsContact CA-O 3.29Å; V6-L88 WeakPolarHBondContact CA-O 3.2Å; V6-L88 HydrophobicContact CG2-CB 4.44Å; V6-A90 HydrophobicContact CG1-CB 3.38Å
7A73.2Confident63.3Low3 Ų354.9 Ų54.93%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-77110.216900000108.7F17 L87 L88 F89 A90A7-F17 HydrophobicContact CB-CB 3.78Å; A7-F17 HydrophobicContact CB-CD1 3.83Å; A7-F17 HydrophobicContact CB-CG 3.83Å; A7-L87 HydrophobicContact CB-CD1 4.16Å; A7-L88 PolarHBondContact N-O 2.88Å; A7-F89 HydrophobicContact CB-CD1 3.62Å; A7-F89 HydrophobicContact CB-CE1 3.83Å; A7-F89 HydrophobicContact CB-CG 4.29Å; A7-A90 PolarHBondContact O-N 3.19Å; A7-A90 VanDerWaalsContact O-N 3.16Å
8L69.1Low63.4Low12 Ų1256.3 Ų56.36%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-100.9126.4168.8-66.2164.5000107.6V6 F17 I18 T20 Y43 A90 F104V6-L8 HydrophobicContact CG1-CD2 4.33Å; V6-L8 HydrophobicContact CG1-CG 4.25Å; V6-L8 PolarHBondContact O-N 3.12Å; L8-F17 CarbonylContact O-C 3.44Å; L8-F17 WeakPolarHBondContact O-CA 3.19Å; L8-I18 PolarHBondContact N-O 3.14Å; L8-I18 PolarHBondContact O-N 2.86Å; L8-T20 HydrophobicContact CD1-CG2 3.89Å; L8-Y43 HydrophobicContact CD1-CD1 3.56Å; L8-Y43 HydrophobicContact CD1-CE1 3.36Å; L8-A90 HydrophobicContact CD2-CB 4.07Å; L8-A90 WeakPolarHBondContact CD2-O 3.43Å; L8-F104 HydrophobicContact CD2-CZ 4.2Å
9P57.5Low64Low25 Ų2558.5 Ų58.516%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-59.1143.4175.727.3-33.1000110.1F17 F104P9-F17 HydrophobicContact CB-CD1 4.35Å; P9-F17 HydrophobicContact CB-CE1 4.35Å; P9-F104 HydrophobicContact CG-CD1 3.45Å; P9-F104 VanDerWaalsContact CG-CD1 3.45Å; P9-F104 HydrophobicContact CG-CE1 3.11Å; P9-F104 HydrophobicContact CG-CG 4.43Å; P9-F104 HydrophobicContact CG-CZ 3.84Å
10T51.2Low64.7Low8 Ų856.3 Ų56.35%0.04928%0.281CS..  trans-105.8145.917877.70000110.7C13 Q16 I18T10-C13 PolarHBondContact OG1-N 3.45Å; T10-C13 PolarHBondContact OG1-O 2.85Å; T10-C13 VanDerWaalsContact OG1-O 3.13Å; T10-Q16 VanDerWaalsContact CG2-O 3.24Å; T10-Q16 WeakPolarHBondContact CG2-O 3.15Å; T10-Q16 PolarHBondContact N-O 3.37Å; T10-Q16 PolarHBondContact OG1-O 2.89Å; T10-I18 HydrophobicContact CG2-CB 3.82Å; T10-I18 HydrophobicContact CG2-CD1 3.55Å; T10-I18 HydrophobicContact CG2-CG1 3.33Å
11F46.8Very low65.7Low101 Ų10158.8 Ų58.844%0.44329%0.29SS..SBendtrans-72.7-20169.564.3-89000112.2
12I43Very low66.3Low113 Ų11351.7 Ų51.758%0.57926%0.255SS*.SBendtrans-79.2-34-171.1-58.5177.4000111.3
13C43.2Very low66.6Low37 Ų3755.6 Ų55.625%0.2527%0.269CS..  trans-152.4123177.3-172.60000110.7T10 E15 Q16T10-C13 PolarHBondContact OG1-N 3.45Å; T10-C13 PolarHBondContact OG1-O 2.85Å; T10-C13 VanDerWaalsContact OG1-O 3.13Å; C13-E15 PolarHBondContact O-N 2.95Å; C13-E15 VanDerWaalsContact O-N 3.15Å; C13-Q16 HydrophobicContact CB-CB 3.91Å; C13-Q16 HydrophobicContact CB-CG 3.87Å; C13-Q16 PolarHBondContact O-N 3.21Å
14V45.5Very low66.6Low23 Ų2354 Ų5414%0.13926%0.26CS..THydrogen-bonded Turntrans-45.5-39.5171.4169.70000113.9Q16 F158 F173 I185V14-Q16 VanDerWaalsContact C-N 3.29Å; V14-F158 HydrophobicContact CG2-CE1 3.26Å; V14-F158 HydrophobicContact CG2-CZ 3.49Å; V14-F158 VanDerWaalsContact CG2-CZ 3.49Å; V14-F173 HydrophobicContact CG2-CD1 4.38Å; V14-F173 HydrophobicContact CG2-CE1 3.88Å; V14-I185 HydrophobicContact CB-CD1 3.71Å; V14-I185 HydrophobicContact CG1-CD1 3Å; V14-I185 HydrophobicContact CG1-CG1 4.43Å; V14-I185 HydrophobicContact CG2-CD1 3.31Å
15E46.8Very low66.2Low144 Ų14463.8 Ų63.867%0.67330%0.303SS*.THydrogen-bonded Turntrans-92.13.7-173.6-58.1-173.9154.200111.5C13 R187C13-E15 PolarHBondContact O-N 2.95Å; C13-E15 VanDerWaalsContact O-N 3.15Å; E15-R187 IonicContact OE1-NH2 3.83Å; E15-R187 PolarHBondContact OE1-NH2 2.79Å
16Q54.4Low65.5Low118 Ų11871.6 Ų71.655%0.55133%0.331SS*.  trans-124.3124.7-178.3-60.2180-10.500111T10 C13 V14T10-Q16 VanDerWaalsContact CG2-O 3.24Å; T10-Q16 WeakPolarHBondContact CG2-O 3.15Å; T10-Q16 PolarHBondContact N-O 3.37Å; T10-Q16 PolarHBondContact OG1-O 2.89Å; C13-Q16 HydrophobicContact CB-CB 3.91Å; C13-Q16 HydrophobicContact CB-CG 3.87Å; C13-Q16 PolarHBondContact O-N 3.21Å; V14-Q16 VanDerWaalsContact C-N 3.29Å
17F61.8Low65.1Low87 Ų8774.7 Ų74.738%0.38235%0.353SS..EExtended strand (participates in β ladder)trans-90.2140.4162.6-61.7-88.9000108.9A7 L8 P9 I19 F89A7-F17 HydrophobicContact CB-CB 3.78Å; A7-F17 HydrophobicContact CB-CD1 3.83Å; A7-F17 HydrophobicContact CB-CG 3.83Å; L8-F17 CarbonylContact O-C 3.44Å; L8-F17 WeakPolarHBondContact O-CA 3.19Å; P9-F17 HydrophobicContact CB-CD1 4.35Å; P9-F17 HydrophobicContact CB-CE1 4.35Å; F17-I19 PolarHBondContact O-N 2.72Å; F17-F89 HydrophobicContact CD1-CD1 4.37Å; F17-F89 AromaticContact CE1-CD1 3.94Å; F17-F89 HydrophobicContact CE1-CD1 3.94Å; F17-F89 HydrophobicContact CE1-CE1 4.26Å; F17-F89 HydrophobicContact CE2-CE1 4.16Å; F17-F89 HydrophobicContact CZ-CD1 4.1Å; F17-F89 HydrophobicContact CZ-CE1 4.02Å
18I64.5Low65.3Low79 Ų7976.1 Ų76.141%0.40536%0.36SS..EExtended strand (participates in β ladder)trans-74.9108.9158.2-80.6154.8000104.9L8 T10 T20L8-I18 PolarHBondContact N-O 3.14Å; L8-I18 PolarHBondContact O-N 2.86Å; T10-I18 HydrophobicContact CG2-CB 3.82Å; T10-I18 HydrophobicContact CG2-CD1 3.55Å; T10-I18 HydrophobicContact CG2-CG1 3.33Å; I18-T20 PolarHBondContact O-N 3.21Å
19I74Confident65.6Low99 Ų9982.1 Ų82.151%0.50839%0.387SS..EExtended strand (participates in β ladder)trans-82.3107.9171.2-59.5175.8000107.1H5 V6 F17H5-I19 HydrophobicContact CB-CG2 3.93Å; V6-I19 WeakPolarHBondContact O-CA 3.47Å; F17-I19 PolarHBondContact O-N 2.72Å
20T77.9Confident66.7Low13 Ų1383.7 Ų83.78%0.0840%0.396CS..EExtended strand (participates in β ladder)trans-94.3146.4169.9-170.10000110.6H5 V6 L8 I18 L22 Y43H5-T20 WeakPolarHBondContact CA-O 3.29Å; V6-T20 HydrophobicContact CB-CG2 3.87Å; V6-T20 PolarHBondContact N-O 3.02Å; V6-T20 PolarHBondContact O-N 3.3Å; L8-T20 HydrophobicContact CD1-CG2 3.89Å; I18-T20 PolarHBondContact O-N 3.21Å; T20-L22 HydrophobicContact CG2-CD2 4.3Å; T20-Y43 VanDerWaalsContact CB-CZ 3.49Å; T20-Y43 HydrophobicContact CG2-CD1 4.15Å; T20-Y43 HydrophobicContact CG2-CE1 3.98Å; T20-Y43 HydrophobicContact CG2-CE2 4.39Å; T20-Y43 HydrophobicContact CG2-CG 4.43Å; T20-Y43 WeakPolarHBondContact OG1-CD2 3.34Å; T20-Y43 WeakPolarHBondContact OG1-CE2 3.49Å; T20-Y43 VanDerWaalsContact OG1-CZ 3.27Å
21K85.7Confident68.3Low110 Ų11083.5 Ų83.548%0.47840%0.395SS..EExtended strand (participates in β ladder)trans-102.3113.6178.3-56.1-164.7176.1-176.40109.1I3 H5 Y23I3-K21 HydrophobicContact CG2-CB 4.28Å; H5-K21 WeakPolarHBondContact NE2-CE 3.22Å; K21-Y23 HydrophobicContact CB-CE2 3.97Å; K21-Y23 WeakPolarHBondContact O-CE2 3.45Å
22L86.6Confident70.3Confident11 Ų1180.8 Ų80.86%0.05839%0.387CS..EExtended strand (participates in β ladder)trans-96.8122.4174.1-59.4-172.1000109.8V4 V6 T20 F24 L36 K39 L40V4-L22 PolarHBondContact N-O 3.1Å; V4-L22 PolarHBondContact O-N 2.95Å; V6-L22 HydrophobicContact CG2-CD1 3.53Å; V6-L22 HydrophobicContact CG2-CG 3.9Å; T20-L22 HydrophobicContact CG2-CD2 4.3Å; L22-F24 HydrophobicContact CB-CE2 3.76Å; L22-F24 HydrophobicContact CB-CZ 4.36Å; L22-L36 HydrophobicContact CD1-CD1 3.71Å; L22-K39 HydrophobicContact CB-CD 4.46Å; L22-K39 HydrophobicContact CD1-CB 4.12Å; L22-K39 HydrophobicContact CD2-CB 4.39Å; L22-L40 HydrophobicContact CD1-CD2 3.97Å; L22-L40 HydrophobicContact CD1-CG 4.27Å
23Y85.5Confident72.6Confident111 Ų11175.7 Ų75.744%0.43536%0.36SS..EExtended strand (participates in β ladder)trans-98.4126.1-178.1-60.7-87.5000111.1M1 I3 K21 K39M1-Y23 HydrophobicContact CE-CD1 3.63Å; M1-Y23 HydrophobicContact CE-CE1 3.98Å; M1-Y23 HydrophobicContact SD-CD1 3.89Å; I3-Y23 HydrophobicContact CD1-CD1 4.4Å; I3-Y23 HydrophobicContact CD1-CE1 3.95Å; I3-Y23 HydrophobicContact CG1-CD1 3.94Å; I3-Y23 HydrophobicContact CG1-CE1 3.96Å; K21-Y23 HydrophobicContact CB-CE2 3.97Å; K21-Y23 WeakPolarHBondContact O-CE2 3.45Å; Y23-K39 WeakPolarHBondContact O-CE 3.26Å; Y23-K39 PolarHBondContact O-NZ 2.74Å
24F85Confident74.7Confident15 Ų1577.2 Ų77.27%0.06637%0.366CS..EExtended strand (participates in β ladder)trans-113.4121.9175.8-63.7-94000109.9L2 V4 L22 R26 I31 N35 L36 K39L2-F24 HydrophobicContact CB-CB 4.35Å; L2-F24 PolarHBondContact N-O 3Å; L2-F24 PolarHBondContact O-N 3.38Å; V4-F24 HydrophobicContact CB-CD2 4.43Å; V4-F24 HydrophobicContact CB-CE2 3.97Å; V4-F24 HydrophobicContact CG2-CD2 3.95Å; V4-F24 HydrophobicContact CG2-CE2 3.81Å; L22-F24 HydrophobicContact CB-CE2 3.76Å; L22-F24 HydrophobicContact CB-CZ 4.36Å; F24-R26 VanDerWaalsContact C-N 3.25Å; F24-R26 PolarHBondContact O-N 2.99Å; F24-I31 HydrophobicContact CD1-CD1 3.67Å; F24-I31 HydrophobicContact CD1-CG1 3.74Å; F24-I31 HydrophobicContact CD2-CD1 3.78Å; F24-I31 HydrophobicContact CE1-CD1 3.58Å; F24-I31 HydrophobicContact CE1-CG1 3.67Å; F24-I31 HydrophobicContact CE2-CD1 3.71Å; F24-I31 HydrophobicContact CG-CD1 3.76Å; F24-I31 HydrophobicContact CG-CG1 4.27Å; F24-I31 HydrophobicContact CZ-CD1 3.6Å; F24-I31 HydrophobicContact CZ-CG1 4.17Å; F24-N35 HydrophobicContact CE1-CB 4.38Å; F24-L36 HydrophobicContact CZ-CD1 4.19Å; F24-K39 HydrophobicContact CD1-CD 4.08Å; F24-K39 HydrophobicContact CE1-CD 3.46Å; F24-K39 VanDerWaalsContact CE1-CD 3.46Å; F24-K39 HydrophobicContact CE2-CD 4.11Å; F24-K39 HydrophobicContact CZ-CD 3.48Å; F24-K39 VanDerWaalsContact CZ-CD 3.48Å
25K73.5Confident76.8Confident206 Ų20679.6 Ų79.690%0.89638%0.378SS*.SBendtrans-73.6-13.5-174.9-72.1-174.71771790113.7
26R68.8Low78.9Confident188 Ų18872.8 Ų72.871%0.70935%0.346SS*.SBendtrans-117.7174.8-169.4-60-176.8175.7-173-1111.8F24 T30F24-R26 VanDerWaalsContact C-N 3.25Å; F24-R26 PolarHBondContact O-N 2.99Å; R26-T30 HydrophobicContact CB-CG2 4.33Å; R26-T30 WeakPolarHBondContact CB-OG1 3.45Å
27S74.2Confident80.5Confident65 Ų6568.4 Ų68.446%0.45533%0.326SS..  trans-61.8156.8179.2176.90000112.1H29 T30S27-H29 PolarHBondContact O-N 2.98Å; S27-H29 VanDerWaalsContact O-N 3.1Å; S27-H29 PolarHBondContact OG-CD2 2.9Å; S27-T30 PolarHBondContact N-OG1 3.46Å; S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 PolarHBondContact O-OG1 2.79Å
28I76.9Confident81.8Confident33 Ų3367.8 Ų67.817%0.16933%0.33CS..G310 helixtrans-51.6-32.4173.2-169.4167.2000112.6T30 I31 I74 V75 I78I28-T30 PolarHBondContact O-N 2.95Å; I28-I31 VanDerWaalsContact O-CG2 3.24Å; I28-I31 WeakPolarHBondContact O-CG2 3.43Å; I28-I31 PolarHBondContact O-N 3.36Å; I28-I74 HydrophobicContact CD1-CB 3.99Å; I28-I74 HydrophobicContact CD1-CG2 3.28Å; I28-I74 HydrophobicContact CG1-CB 4.43Å; I28-I74 HydrophobicContact CG1-CG2 3.76Å; I28-V75 HydrophobicContact CD1-CB 4.43Å; I28-V75 HydrophobicContact CD1-CG2 3.51Å; I28-I78 HydrophobicContact CD1-CD1 3.87Å
29H74.7Confident82.9Confident139 Ų13966.9 Ų66.964%0.64432%0.323SS*.G310 helixtrans-68.3-16.9179.4-59-61.8000114.1S27S27-H29 PolarHBondContact O-N 2.98Å; S27-H29 VanDerWaalsContact O-N 3.1Å; S27-H29 PolarHBondContact OG-CD2 2.9Å
30T80.2Confident83.4Confident57 Ų5762.2 Ų62.235%0.3530%0.299SS..G310 helixtrans-103.4-1.6-177.5650000113.2R26 S27 I28 T32 N35R26-T30 HydrophobicContact CB-CG2 4.33Å; R26-T30 WeakPolarHBondContact CB-OG1 3.45Å; S27-T30 PolarHBondContact N-OG1 3.46Å; S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 PolarHBondContact O-OG1 2.79Å; I28-T30 PolarHBondContact O-N 2.95Å; T30-T32 PolarHBondContact O-N 3.16Å; T30-N35 PolarHBondContact O-ND2 3.03Å
31I84.9Confident83.7Confident5 Ų562.5 Ų62.53%0.02630%0.301CS..  trans-75.9123.7171.5-155.8170.2000108.1L2 V4 F24 I28 L70 R71 I74L2-I31 HydrophobicContact CD2-CD1 4.33Å; V4-I31 HydrophobicContact CG2-CD1 4.22Å; F24-I31 HydrophobicContact CD1-CD1 3.67Å; F24-I31 HydrophobicContact CD1-CG1 3.74Å; F24-I31 HydrophobicContact CD2-CD1 3.78Å; F24-I31 HydrophobicContact CE1-CD1 3.58Å; F24-I31 HydrophobicContact CE1-CG1 3.67Å; F24-I31 HydrophobicContact CE2-CD1 3.71Å; F24-I31 HydrophobicContact CG-CD1 3.76Å; F24-I31 HydrophobicContact CG-CG1 4.27Å; F24-I31 HydrophobicContact CZ-CD1 3.6Å; F24-I31 HydrophobicContact CZ-CG1 4.17Å; I28-I31 VanDerWaalsContact O-CG2 3.24Å; I28-I31 WeakPolarHBondContact O-CG2 3.43Å; I28-I31 PolarHBondContact O-N 3.36Å; I31-L70 HydrophobicContact CG1-CD2 4.29Å; I31-L70 HydrophobicContact CG2-CD2 4.36Å; I31-R71 HydrophobicContact CG2-CG 4.27Å; I31-I74 HydrophobicContact CD1-CD1 3.72Å; I31-I74 HydrophobicContact CG2-CD1 3.72Å
32T89.9Confident83.6Confident44 Ų4463.5 Ų63.527%0.2731%0.307SS..  trans-111.1158.9174.163.10000108.5T30 D34 N35 L36 S67T30-T32 PolarHBondContact O-N 3.16Å; T32-D34 PolarHBondContact O-N 2.92Å; T32-N35 PolarHBondContact O-N 3.1Å; T32-N35 WeakPolarHBondContact OG1-CB 3.47Å; T32-N35 PolarHBondContact OG1-N 3.36Å; T32-N35 VanDerWaalsContact OG1-N 3.11Å; T32-N35 PolarHBondContact OG1-ND2 2.64Å; T32-N35 VanDerWaalsContact OG1-ND2 3.14Å; T32-L36 PolarHBondContact O-N 3.06Å; T32-S67 WeakPolarHBondContact CA-OG 3.2Å
33Y89.8Confident83.4Confident6 Ų668.1 Ų68.12%0.02433%0.325CS..Hα-helixtrans-57.6-41.8172.7-171.3-100.4000110.8N35 L36 I37 F51 I53 V64 S67 V209Y33-N35 PolarHBondContact O-N 2.96Å; Y33-L36 WeakPolarHBondContact O-CA 3.4Å; Y33-L36 WeakPolarHBondContact O-CB 3.22Å; Y33-L36 PolarHBondContact O-N 3.44Å; Y33-I37 HydrophobicContact CD1-CD1 4.47Å; Y33-I37 HydrophobicContact CD1-CG1 3.79Å; Y33-I37 HydrophobicContact CE1-CD1 3.78Å; Y33-I37 HydrophobicContact CE1-CG1 3.54Å; Y33-I37 HydrophobicContact CG-CG1 4.49Å; Y33-I37 WeakPolarHBondContact O-CG1 3.49Å; Y33-I37 PolarHBondContact O-N 2.91Å; Y33-F51 PolarHBondContact OH-O 3.32Å; Y33-F51 VanDerWaalsContact OH-O 3.12Å; Y33-I53 HydrophobicContact CD2-CD1 4.5Å; Y33-I53 HydrophobicContact CE2-CD1 3.64Å; Y33-V64 HydrophobicContact CD2-CG1 4.01Å; Y33-V64 HydrophobicContact CE2-CG1 4Å; Y33-V64 WeakPolarHBondContact CE2-O 3.1Å; Y33-S67 PolarHBondContact N-OG 2.9Å; Y33-V209 HydrophobicContact CD1-CG1 4.36Å; Y33-V209 HydrophobicContact CE1-CG1 4.14Å; Y33-V209 HydrophobicContact CE1-CG2 4.06Å
34D89Confident82.8Confident69 Ų6964.9 Ų64.937%0.36932%0.317SS..Hα-helixtrans-62.8-42.6178.9-46.9-53.8000111.9T32 L36 I37 T38T32-D34 PolarHBondContact O-N 2.92Å; D34-L36 PolarHBondContact O-N 2.91Å; D34-I37 PolarHBondContact O-N 3.39Å; D34-I37 VanDerWaalsContact O-N 3.12Å; D34-T38 WeakPolarHBondContact O-CB 3.4Å; D34-T38 PolarHBondContact O-N 3Å; D34-T38 PolarHBondContact O-OG1 3.19Å
35N89Confident82.3Confident73 Ų7373.3 Ų73.339%0.3935%0.353SS..Hα-helixtrans-59-35.3175.1-74.7-21.5000112.4F24 T30 T32 Y33 K39F24-N35 HydrophobicContact CE1-CB 4.38Å; T30-N35 PolarHBondContact O-ND2 3.03Å; T32-N35 PolarHBondContact O-N 3.1Å; T32-N35 WeakPolarHBondContact OG1-CB 3.47Å; T32-N35 PolarHBondContact OG1-N 3.36Å; T32-N35 VanDerWaalsContact OG1-N 3.11Å; T32-N35 PolarHBondContact OG1-ND2 2.64Å; T32-N35 VanDerWaalsContact OG1-ND2 3.14Å; Y33-N35 PolarHBondContact O-N 2.96Å; N35-K39 WeakPolarHBondContact O-CG 3.22Å; N35-K39 PolarHBondContact O-N 3.47Å
36L90.4Very high82.1Confident1 Ų165.5 Ų65.51%0.00532%0.323CS..Hα-helixtrans-70.4-47.8174.6173.662.4000110.9V6 L22 F24 T32 Y33 D34 T38 K39 L40 I53 L70 L88V6-L36 HydrophobicContact CG2-CD1 4.49Å; L22-L36 HydrophobicContact CD1-CD1 3.71Å; F24-L36 HydrophobicContact CZ-CD1 4.19Å; T32-L36 PolarHBondContact O-N 3.06Å; Y33-L36 WeakPolarHBondContact O-CA 3.4Å; Y33-L36 WeakPolarHBondContact O-CB 3.22Å; Y33-L36 PolarHBondContact O-N 3.44Å; D34-L36 PolarHBondContact O-N 2.91Å; L36-T38 PolarHBondContact O-N 3.28Å; L36-K39 PolarHBondContact O-N 3.4Å; L36-L40 HydrophobicContact CD1-CD1 4.16Å; L36-L40 HydrophobicContact CD1-CG 4.25Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CG 2.87Å; L36-L40 PolarHBondContact O-N 3Å; L36-I53 HydrophobicContact CD2-CD1 3.66Å; L36-I53 HydrophobicContact CD2-CG2 4.43Å; L36-I53 HydrophobicContact CG-CD1 4.15Å; L36-L70 HydrophobicContact CB-CD2 4.16Å; L36-L70 HydrophobicContact CD2-CD1 3.75Å; L36-L70 HydrophobicContact CD2-CD2 4Å; L36-L88 HydrophobicContact CD1-CD1 4.33Å; L36-L88 HydrophobicContact CD2-CD1 3.58Å
37I88.6Confident81.8Confident26 Ų2666.7 Ų66.713%0.13333%0.333CS..Hα-helixtrans-60.4-43.9178.6-64.2-63.1000111.5Y33 D34 K39 L40 C41 G49 F51 I53Y33-I37 HydrophobicContact CD1-CD1 4.47Å; Y33-I37 HydrophobicContact CD1-CG1 3.79Å; Y33-I37 HydrophobicContact CE1-CD1 3.78Å; Y33-I37 HydrophobicContact CE1-CG1 3.54Å; Y33-I37 HydrophobicContact CG-CG1 4.49Å; Y33-I37 WeakPolarHBondContact O-CG1 3.49Å; Y33-I37 PolarHBondContact O-N 2.91Å; D34-I37 PolarHBondContact O-N 3.39Å; D34-I37 VanDerWaalsContact O-N 3.12Å; I37-K39 PolarHBondContact O-N 2.84Å; I37-L40 PolarHBondContact O-N 3.48Å; I37-C41 WeakPolarHBondContact O-CB 3.23Å; I37-C41 PolarHBondContact O-N 3.15Å; I37-C41 PolarHBondContact O-SG 3.36Å; I37-G49 WeakPolarHBondContact CG2-O 3.29Å; I37-F51 HydrophobicContact CD1-CB 3.8Å; I37-F51 HydrophobicContact CD1-CD2 3.93Å; I37-F51 HydrophobicContact CD1-CG 4.28Å; I37-F51 HydrophobicContact CG2-CD2 4.37Å; I37-I53 HydrophobicContact CD1-CD1 3.65Å
38T88Confident81.4Confident74 Ų7473.5 Ų73.545%0.45436%0.355SS..Hα-helixtrans-58-47.7175.9-570000111.2D34 L36 L40 C41 E42D34-T38 WeakPolarHBondContact O-CB 3.4Å; D34-T38 PolarHBondContact O-N 3Å; D34-T38 PolarHBondContact O-OG1 3.19Å; L36-T38 PolarHBondContact O-N 3.28Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 2.96Å; T38-C41 WeakPolarHBondContact O-CB 3.48Å; T38-C41 PolarHBondContact O-N 3.26Å; T38-E42 WeakPolarHBondContact O-CG 3.49Å; T38-E42 PolarHBondContact O-N 2.84Å
39K88.1Confident80.7Confident60 Ų6072.6 Ų72.626%0.26135%0.354SS..Hα-helixtrans-64.2-37.5177.4-79.8179.2178.3-73.30113L22 Y23 F24 N35 L36 I37 E42 Y43L22-K39 HydrophobicContact CB-CD 4.46Å; L22-K39 HydrophobicContact CD1-CB 4.12Å; L22-K39 HydrophobicContact CD2-CB 4.39Å; Y23-K39 WeakPolarHBondContact O-CE 3.26Å; Y23-K39 PolarHBondContact O-NZ 2.74Å; F24-K39 HydrophobicContact CD1-CD 4.08Å; F24-K39 HydrophobicContact CE1-CD 3.46Å; F24-K39 VanDerWaalsContact CE1-CD 3.46Å; F24-K39 HydrophobicContact CE2-CD 4.11Å; F24-K39 HydrophobicContact CZ-CD 3.48Å; F24-K39 VanDerWaalsContact CZ-CD 3.48Å; N35-K39 WeakPolarHBondContact O-CG 3.22Å; N35-K39 PolarHBondContact O-N 3.47Å; L36-K39 PolarHBondContact O-N 3.4Å; I37-K39 PolarHBondContact O-N 2.84Å; K39-E42 PolarHBondContact O-N 2.8Å; K39-Y43 WeakPolarHBondContact O-CB 3.43Å; K39-Y43 PolarHBondContact O-N 3.38Å
40L85.1Confident80.5Confident1 Ų168.7 Ų68.71%0.00534%0.335CS..Hα-helixtrans-63.9-46174.4-71.5171000110.3V6 L22 L36 I37 T38 E42 Y43 T44 F51 I53 A90V6-L40 HydrophobicContact CB-CD2 4.41Å; V6-L40 HydrophobicContact CG1-CD2 3.89Å; V6-L40 HydrophobicContact CG2-CD2 4.33Å; L22-L40 HydrophobicContact CD1-CD2 3.97Å; L22-L40 HydrophobicContact CD1-CG 4.27Å; L36-L40 HydrophobicContact CD1-CD1 4.16Å; L36-L40 HydrophobicContact CD1-CG 4.25Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 WeakPolarHBondContact O-CG 2.87Å; L36-L40 PolarHBondContact O-N 3Å; I37-L40 PolarHBondContact O-N 3.48Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 2.96Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 2.87Å; L40-Y43 PolarHBondContact O-N 2.86Å; L40-T44 WeakPolarHBondContact O-CB 3.49Å; L40-T44 WeakPolarHBondContact O-CG2 3.2Å; L40-T44 PolarHBondContact O-N 2.76Å; L40-T44 PolarHBondContact O-OG1 2.79Å; L40-F51 HydrophobicContact CB-CD1 4.18Å; L40-F51 HydrophobicContact CB-CD2 4.05Å; L40-F51 HydrophobicContact CB-CE1 3.84Å; L40-F51 HydrophobicContact CB-CE2 3.7Å; L40-F51 HydrophobicContact CB-CG 4.3Å; L40-F51 HydrophobicContact CB-CZ 3.59Å; L40-F51 HydrophobicContact CD1-CB 4.18Å; L40-F51 HydrophobicContact CD1-CD1 3.98Å; L40-F51 HydrophobicContact CD1-CD2 4.25Å; L40-F51 HydrophobicContact CD1-CE1 4.45Å; L40-F51 HydrophobicContact CD1-CG 3.88Å; L40-I53 HydrophobicContact CD1-CD1 3.96Å; L40-I53 HydrophobicContact CD1-CG1 4.36Å; L40-A90 HydrophobicContact CD1-CB 3.89Å; L40-A90 HydrophobicContact CD2-CB 4.09Å
41C83.6Confident80.3Confident18 Ų1866 Ų6612%0.12232%0.318CS..Hα-helixtrans-58.5-43.5175.7-71.50000112.8I37 T38 T44 K45 T46 G49I37-C41 WeakPolarHBondContact O-CB 3.23Å; I37-C41 PolarHBondContact O-N 3.15Å; I37-C41 PolarHBondContact O-SG 3.36Å; T38-C41 WeakPolarHBondContact O-CB 3.48Å; T38-C41 PolarHBondContact O-N 3.26Å; C41-T44 PolarHBondContact O-OG1 2.83Å; C41-K45 CarbonylContact O-C 3.49Å; C41-K45 VanDerWaalsContact O-CA 3.28Å; C41-K45 WeakPolarHBondContact O-CA 3.29Å; C41-K45 PolarHBondContact O-N 3.46Å; C41-T46 WeakPolarHBondContact CA-OG1 3.32Å; C41-T46 WeakPolarHBondContact CB-O 3.03Å; C41-T46 PolarHBondContact O-N 2.89Å; C41-G49 PolarHBondContact SG-N 2.78Å; C41-G49 VanDerWaalsContact SG-N 3.44Å
42E84.2Confident79.7Confident132 Ų13266.8 Ų66.862%0.61732%0.321SS*.Hα-helixtrans-60.8-46.1175-73.7172.6179.500111.5T38 K39 L40 K45T38-E42 WeakPolarHBondContact O-CG 3.49Å; T38-E42 PolarHBondContact O-N 2.84Å; K39-E42 PolarHBondContact O-N 2.8Å; L40-E42 VanDerWaalsContact C-N 3.35Å; L40-E42 PolarHBondContact O-N 2.87Å; E42-K45 PolarHBondContact O-N 3.4Å
43Y81.3Confident79.4Confident107 Ų10764.8 Ų64.842%0.4231%0.308SS..Hα-helixtrans-67.3-44-178.9-177.9-95.3000112.3L8 T20 K39 L40 K45L8-Y43 HydrophobicContact CD1-CD1 3.56Å; L8-Y43 HydrophobicContact CD1-CE1 3.36Å; T20-Y43 VanDerWaalsContact CB-CZ 3.49Å; T20-Y43 HydrophobicContact CG2-CD1 4.15Å; T20-Y43 HydrophobicContact CG2-CE1 3.98Å; T20-Y43 HydrophobicContact CG2-CE2 4.39Å; T20-Y43 HydrophobicContact CG2-CG 4.43Å; T20-Y43 WeakPolarHBondContact OG1-CD2 3.34Å; T20-Y43 WeakPolarHBondContact OG1-CE2 3.49Å; T20-Y43 VanDerWaalsContact OG1-CZ 3.27Å; K39-Y43 WeakPolarHBondContact O-CB 3.43Å; K39-Y43 PolarHBondContact O-N 3.38Å; L40-Y43 PolarHBondContact O-N 2.86Å; Y43-K45 VanDerWaalsContact C-N 3.31Å
44T72.9Confident79Confident43 Ų4365 Ų6526%0.26431%0.311SS..Hα-helixtrans-83.3-7.2-179.660.30000113.3L40 C41 T46 F51L40-T44 WeakPolarHBondContact O-CB 3.49Å; L40-T44 WeakPolarHBondContact O-CG2 3.2Å; L40-T44 PolarHBondContact O-N 2.76Å; L40-T44 PolarHBondContact O-OG1 2.79Å; C41-T44 PolarHBondContact O-OG1 2.83Å; T44-T46 VanDerWaalsContact C-N 3.25Å; T44-T46 PolarHBondContact O-N 2.83Å; T44-T46 WeakPolarHBondContact OG1-CG2 3.37Å; T44-T46 PolarHBondContact OG1-OG1 2.79Å; T44-F51 HydrophobicContact CG2-CE1 4.01Å; T44-F51 HydrophobicContact CG2-CZ 4.07Å
45K74.4Confident78.7Confident192 Ų19262.1 Ų62.184%0.83530%0.295SS*.THydrogen-bonded Turntrans58.833-174-53.3179.4179.9178.80113.2C41 E42 Y43C41-K45 CarbonylContact O-C 3.49Å; C41-K45 VanDerWaalsContact O-CA 3.28Å; C41-K45 WeakPolarHBondContact O-CA 3.29Å; C41-K45 PolarHBondContact O-N 3.46Å; E42-K45 PolarHBondContact O-N 3.4Å; Y43-K45 VanDerWaalsContact C-N 3.31Å
46T69.1Low78.2Confident42 Ų4262.4 Ų62.426%0.25829%0.293SS..  trans-92.3132.4175.354.10000110.4C41 T44C41-T46 WeakPolarHBondContact CA-OG1 3.32Å; C41-T46 WeakPolarHBondContact CB-O 3.03Å; C41-T46 PolarHBondContact O-N 2.89Å; T44-T46 VanDerWaalsContact C-N 3.25Å; T44-T46 PolarHBondContact O-N 2.83Å; T44-T46 WeakPolarHBondContact OG1-CG2 3.37Å; T44-T46 PolarHBondContact OG1-OG1 2.79Å
47K64.5Low77.9Confident213 Ų21364.2 Ų64.293%0.92630%0.303SS*.SBendtrans-71.1-37.3-174.7-70.3-174176.7-177.10113.9
48K64.8Low77.3Confident209 Ų20966 Ų6691%0.90933%0.327SS*.SBendtrans-150.5101.7172.1-73-169175.1-1700105.8
49G62.6Low76.8Confident14 Ų1468.3 Ų68.314%0.14434%0.342CS..  trans-112.9123-177.800000109.6I37 C41 F51I37-G49 WeakPolarHBondContact CG2-O 3.29Å; C41-G49 PolarHBondContact SG-N 2.78Å; C41-G49 VanDerWaalsContact SG-N 3.44Å; G49-F51 WeakPolarHBondContact O-CD2 3.46Å
50K69.8Low76.1Confident57 Ų5768.5 Ų68.525%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-72.4142.9158.6-69.8-177.5177.2-1640106.6P92 V93 V207K50-P92 CarbonylContact O-C 3.54Å; K50-P92 WeakPolarHBondContact O-CA 3.33Å; K50-V93 HydrophobicContact CB-CB 3.67Å; K50-V93 HydrophobicContact CB-CG1 4.28Å; K50-V93 HydrophobicContact CB-CG2 4.47Å; K50-V93 HydrophobicContact CD-CG1 4.39Å; K50-V93 PolarHBondContact O-N 3.21Å; K50-V207 PolarHBondContact NZ-O 2.84Å
51F76.1Confident75.5Confident1 Ų170.7 Ų70.70%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-126.7134170.3-67.9-103000109Y33 I37 L40 T44 G49 I53 A90 A91 P92Y33-F51 PolarHBondContact OH-O 3.32Å; Y33-F51 VanDerWaalsContact OH-O 3.12Å; I37-F51 HydrophobicContact CD1-CB 3.8Å; I37-F51 HydrophobicContact CD1-CD2 3.93Å; I37-F51 HydrophobicContact CD1-CG 4.28Å; I37-F51 HydrophobicContact CG2-CD2 4.37Å; L40-F51 HydrophobicContact CB-CD1 4.18Å; L40-F51 HydrophobicContact CB-CD2 4.05Å; L40-F51 HydrophobicContact CB-CE1 3.84Å; L40-F51 HydrophobicContact CB-CE2 3.7Å; L40-F51 HydrophobicContact CB-CG 4.3Å; L40-F51 HydrophobicContact CB-CZ 3.59Å; L40-F51 HydrophobicContact CD1-CB 4.18Å; L40-F51 HydrophobicContact CD1-CD1 3.98Å; L40-F51 HydrophobicContact CD1-CD2 4.25Å; L40-F51 HydrophobicContact CD1-CE1 4.45Å; L40-F51 HydrophobicContact CD1-CG 3.88Å; T44-F51 HydrophobicContact CG2-CE1 4.01Å; T44-F51 HydrophobicContact CG2-CZ 4.07Å; G49-F51 WeakPolarHBondContact O-CD2 3.46Å; F51-I53 HydrophobicContact CB-CD1 4.18Å; F51-I53 HydrophobicContact CB-CG1 3.96Å; F51-A90 HydrophobicContact CD1-CB 4.4Å; F51-A91 CarbonylContact C-O 3.58Å; F51-A91 VanDerWaalsContact CA-O 3.23Å; F51-A91 WeakPolarHBondContact CA-O 3.37Å; F51-P92 HydrophobicContact CD1-CB 3.94Å; F51-P92 HydrophobicContact CD1-CG 4.38Å; F51-P92 VanDerWaalsContact CD1-N 3.28Å; F51-P92 HydrophobicContact CE1-CB 3.7Å; F51-P92 HydrophobicContact CE1-CG 4.02Å; F51-P92 HydrophobicContact CZ-CB 4.1Å
52Y73Confident75.1Confident21 Ų2171.1 Ų71.18%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-78.1116.3159.9-177.4-104.6000107.7T63 A90 A91 P114 F117Y52-T63 HydrophobicContact CD2-CG2 4.46Å; Y52-T63 HydrophobicContact CE2-CG2 3.76Å; Y52-T63 PolarHBondContact OH-OG1 3.01Å; Y52-A90 CarbonylContact O-C 3.53Å; Y52-A90 WeakPolarHBondContact O-CA 3.08Å; Y52-A91 PolarHBondContact N-O 2.89Å; Y52-A91 PolarHBondContact O-N 2.83Å; Y52-P114 HydrophobicContact CE1-CG 4.23Å; Y52-P114 VanDerWaalsContact OH-CB 3.29Å; Y52-P114 WeakPolarHBondContact OH-CB 3.47Å; Y52-P114 WeakPolarHBondContact OH-CD 3.37Å; Y52-P114 WeakPolarHBondContact OH-CG 3.4Å; Y52-F117 HydrophobicContact CE2-CD2 4.44Å
53I82.6Confident75Confident1 Ų166 Ų661%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-116.4136.9-179.1-61161.6000107.9Y33 L36 I37 L40 F51 V64 L88 F89 A90Y33-I53 HydrophobicContact CD2-CD1 4.5Å; Y33-I53 HydrophobicContact CE2-CD1 3.64Å; L36-I53 HydrophobicContact CD2-CD1 3.66Å; L36-I53 HydrophobicContact CD2-CG2 4.43Å; L36-I53 HydrophobicContact CG-CD1 4.15Å; I37-I53 HydrophobicContact CD1-CD1 3.65Å; L40-I53 HydrophobicContact CD1-CD1 3.96Å; L40-I53 HydrophobicContact CD1-CG1 4.36Å; F51-I53 HydrophobicContact CB-CD1 4.18Å; F51-I53 HydrophobicContact CB-CG1 3.96Å; I53-V64 HydrophobicContact CB-CB 4.05Å; I53-V64 HydrophobicContact CG2-CB 3.8Å; I53-V64 HydrophobicContact CG2-CG1 4.42Å; I53-V64 HydrophobicContact CG2-CG2 4.07Å; I53-V64 PolarHBondContact O-N 3.42Å; I53-L88 HydrophobicContact CG2-CB 4.2Å; I53-L88 HydrophobicContact CG2-CD1 4.22Å; I53-L88 HydrophobicContact CG2-CD2 4.4Å; I53-F89 CarbonylContact C-O 3.59Å; I53-F89 VanDerWaalsContact CA-O 3.28Å; I53-F89 WeakPolarHBondContact CA-O 2.94Å; I53-A90 HydrophobicContact CG1-CB 4.11Å
54S81.9Confident75.1Confident10 Ų1061 Ų617%0.0731%0.313CS..EExtended strand (participates in β ladder)trans-140.9164.317459.10000111.3C62 F89S54-C62 CarbonylContact C-O 3.43Å; S54-C62 WeakPolarHBondContact CA-O 3.4Å; S54-C62 VanDerWaalsContact CB-O 3.29Å; S54-C62 WeakPolarHBondContact CB-O 3.26Å; S54-F89 PolarHBondContact N-O 2.66Å; S54-F89 PolarHBondContact O-N 3.03Å
55W82.3Confident75.6Confident9 Ų961.7 Ų61.73%0.03432%0.32CS..EExtended strand (participates in β ladder)trans-145.9162.7176.272.2-70.4000109D57 Y61 C62 V64 A73 R76 M77 L88W55-D57 HydrophobicContact CH2-CB 3.34Å; W55-D57 HydrophobicContact CZ2-CB 3.86Å; W55-D57 VanDerWaalsContact CZ3-CA 3.45Å; W55-D57 HydrophobicContact CZ3-CB 3.77Å; W55-Y61 CarbonylContact O-C 3.42Å; W55-Y61 VanDerWaalsContact O-CA 3.27Å; W55-Y61 WeakPolarHBondContact O-CA 3.27Å; W55-C62 PolarHBondContact N-O 3.23Å; W55-C62 PolarHBondContact O-N 3.14Å; W55-V64 VanDerWaalsContact CD1-CG2 3.47Å; W55-V64 HydrophobicContact CG-CG2 4.34Å; W55-A73 HydrophobicContact CB-CB 4.36Å; W55-A73 HydrophobicContact CD2-CB 3.44Å; W55-A73 VanDerWaalsContact CD2-CB 3.44Å; W55-A73 VanDerWaalsContact CE2-CB 3.43Å; W55-A73 HydrophobicContact CE3-CB 4.13Å; W55-A73 HydrophobicContact CG-CB 3.52Å; W55-A73 HydrophobicContact CZ2-CB 4.17Å; W55-R76 HydrophobicContact CH2-CB 3.83Å; W55-R76 HydrophobicContact CH2-CG 4.24Å; W55-R76 HydrophobicContact CZ3-CB 3.89Å; W55-M77 HydrophobicContact CB-CE 3.99Å; W55-M77 HydrophobicContact CB-SD 4.23Å; W55-M77 HydrophobicContact CD2-CE 4.4Å; W55-M77 HydrophobicContact CE3-CE 4.12Å; W55-M77 HydrophobicContact CE3-CG 3.63Å; W55-M77 HydrophobicContact CE3-SD 4.03Å; W55-M77 HydrophobicContact CG-CE 4.38Å; W55-M77 HydrophobicContact CZ3-CG 4Å; W55-L88 HydrophobicContact CB-CD2 3.78Å
56H80Confident76.2Confident79 Ų7955.5 Ų55.537%0.36630%0.296SS..EExtended strand (participates in β ladder)trans-106.7124.2-179.7-169.1-82.1000110.3G58 E60 Y61H56-G58 VanDerWaalsContact C-N 3.33Å; H56-G58 WeakPolarHBondContact ND1-CA 3.37Å; H56-G58 PolarHBondContact ND1-N 3.29Å; H56-E60 CarbonylContact C-O 3.6Å; H56-E60 VanDerWaalsContact CA-O 3.32Å; H56-E60 WeakPolarHBondContact CA-O 3.28Å; H56-Y61 HydrophobicContact CB-CD1 4.16Å; H56-Y61 HydrophobicContact CB-CE1 4.15Å; H56-Y61 AromaticContact CD2-CD2 3.72Å; H56-Y61 AromaticContact CD2-CE2 3.72Å
57D82.6Confident77.3Confident40 Ų4055 Ų5521%0.21430%0.295CS..  trans-88.70.6-174.679.4-14.4000114.7W55 T59 E60W55-D57 HydrophobicContact CH2-CB 3.34Å; W55-D57 HydrophobicContact CZ2-CB 3.86Å; W55-D57 VanDerWaalsContact CZ3-CA 3.45Å; W55-D57 HydrophobicContact CZ3-CB 3.77Å; D57-T59 WeakPolarHBondContact OD1-CA 3.24Å; D57-T59 WeakPolarHBondContact OD1-CB 3.22Å; D57-T59 PolarHBondContact OD1-N 3.16Å; D57-E60 PolarHBondContact N-O 2.76Å; D57-E60 PolarHBondContact OD1-N 2.96Å
58G77.4Confident78.4Confident62 Ų6248.4 Ų48.464%0.63928%0.275SS*.SBendtrans105.2-20.2-175.600000112.8H56H56-G58 VanDerWaalsContact C-N 3.33Å; H56-G58 WeakPolarHBondContact ND1-CA 3.37Å; H56-G58 PolarHBondContact ND1-N 3.29Å
59T76.9Confident79.6Confident124 Ų12440.9 Ų40.976%0.76125%0.245SC*.SBendtrans-113.7-43.8176.6-50.90000111.3D57D57-T59 WeakPolarHBondContact OD1-CA 3.24Å; D57-T59 WeakPolarHBondContact OD1-CB 3.22Å; D57-T59 PolarHBondContact OD1-N 3.16Å
60E72.7Confident80.9Confident64 Ų6440.2 Ų40.230%0.29924%0.238SC..SBendtrans-149.7173.5-178.163.4176-177.300113.2H56 D57 S115 R118H56-E60 CarbonylContact C-O 3.6Å; H56-E60 VanDerWaalsContact CA-O 3.32Å; H56-E60 WeakPolarHBondContact CA-O 3.28Å; D57-E60 PolarHBondContact N-O 2.76Å; D57-E60 PolarHBondContact OD1-N 2.96Å; E60-S115 VanDerWaalsContact CD-OG 3.22Å; E60-S115 PolarHBondContact OE1-OG 2.89Å; E60-S115 WeakPolarHBondContact OE2-CB 3.19Å; E60-S115 PolarHBondContact OE2-OG 3Å; E60-S115 VanDerWaalsContact OE2-OG 3.09Å; E60-R118 IonicContact OE2-NH2 2.83Å
61Y72.8Confident81.7Confident47 Ų4742.4 Ų42.418%0.18425%0.245CC..EExtended strand (participates in β ladder)trans-83.7132.7168.5-70.7-91.9000110.7W55 H56 F89 N112 P114W55-Y61 CarbonylContact O-C 3.42Å; W55-Y61 VanDerWaalsContact O-CA 3.27Å; W55-Y61 WeakPolarHBondContact O-CA 3.27Å; H56-Y61 HydrophobicContact CB-CD1 4.16Å; H56-Y61 HydrophobicContact CB-CE1 4.15Å; H56-Y61 AromaticContact CD2-CD2 3.72Å; H56-Y61 AromaticContact CD2-CE2 3.72Å; Y61-F89 HydrophobicContact CD1-CD2 4.25Å; Y61-F89 HydrophobicContact CD1-CE2 4.38Å; Y61-F89 AromaticContact CE1-CD2 3.75Å; Y61-F89 HydrophobicContact CE1-CD2 3.75Å; Y61-F89 HydrophobicContact CE1-CE1 4.43Å; Y61-F89 AromaticContact CE1-CE2 3.55Å; Y61-F89 HydrophobicContact CE1-CE2 3.55Å; Y61-F89 HydrophobicContact CE1-CG 4.29Å; Y61-F89 AromaticContact CE1-CZ 3.91Å; Y61-F89 HydrophobicContact CE1-CZ 3.91Å; Y61-N112 HydrophobicContact CD2-CB 4.39Å; Y61-N112 WeakPolarHBondContact CD2-O 3.23Å; Y61-N112 HydrophobicContact CE2-CB 3.96Å; Y61-P114 WeakPolarHBondContact O-CA 3.29Å; Y61-P114 VanDerWaalsContact O-CB 3.28Å; Y61-P114 WeakPolarHBondContact O-CB 3.12Å
62C76.1Confident82.3Confident26 Ų2646.3 Ų46.318%0.17626%0.263CS..EExtended strand (participates in β ladder)trans-117.1137.7179.8-54.90000110.3S54 W55S54-C62 CarbonylContact C-O 3.43Å; S54-C62 WeakPolarHBondContact CA-O 3.4Å; S54-C62 VanDerWaalsContact CB-O 3.29Å; S54-C62 WeakPolarHBondContact CB-O 3.26Å; W55-C62 PolarHBondContact N-O 3.23Å; W55-C62 PolarHBondContact O-N 3.14Å
63T80.6Confident83Confident25 Ų2545.3 Ų45.315%0.15326%0.259CS..EExtended strand (participates in β ladder)trans-73140.2176.2-61.10000111.2Y52 D116Y52-T63 HydrophobicContact CD2-CG2 4.46Å; Y52-T63 HydrophobicContact CE2-CG2 3.76Å; Y52-T63 PolarHBondContact OH-OG1 3.01Å; T63-D116 WeakPolarHBondContact CB-OD2 3.48Å; T63-D116 VanDerWaalsContact OG1-CG 3.26Å; T63-D116 PolarHBondContact OG1-OD1 3.35Å; T63-D116 PolarHBondContact OG1-OD2 3.46Å
64V83.4Confident83.2Confident1 Ų145.2 Ų45.21%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-109.5112.1169.7-175.90000108Y33 I53 W55 N69 L70 A73 L88Y33-V64 HydrophobicContact CD2-CG1 4.01Å; Y33-V64 HydrophobicContact CE2-CG1 4Å; Y33-V64 WeakPolarHBondContact CE2-O 3.1Å; I53-V64 HydrophobicContact CB-CB 4.05Å; I53-V64 HydrophobicContact CG2-CB 3.8Å; I53-V64 HydrophobicContact CG2-CG1 4.42Å; I53-V64 HydrophobicContact CG2-CG2 4.07Å; I53-V64 PolarHBondContact O-N 3.42Å; W55-V64 VanDerWaalsContact CD1-CG2 3.47Å; W55-V64 HydrophobicContact CG-CG2 4.34Å; V64-N69 HydrophobicContact CG1-CB 4.49Å; V64-L70 HydrophobicContact CG1-CB 3.65Å; V64-L70 HydrophobicContact CG1-CD1 4.1Å; V64-L70 HydrophobicContact CG1-CG 4.45Å; V64-A73 HydrophobicContact CG2-CB 4.32Å; V64-L88 HydrophobicContact CG2-CD2 4.45Å
65S84Confident83.4Confident59 Ų5947.6 Ų47.641%0.41327%0.272SS..  trans-118.2-13.3-17854.10000114.2
66N88.2Confident83.6Confident62 Ų6252 Ų5233%0.33229%0.289SS..SBendtrans-150.9173.4-17761.758.1000111.9S68 N69 L70N66-S68 PolarHBondContact O-N 3.09Å; N66-S68 WeakPolarHBondContact OD1-CA 3.35Å; N66-S68 WeakPolarHBondContact OD1-CB 3.24Å; N66-S68 PolarHBondContact OD1-N 3.16Å; N66-N69 VanDerWaalsContact CG-OD1 3.31Å; N66-N69 PolarHBondContact ND2-OD1 3.13Å; N66-N69 PolarHBondContact O-N 2.93Å; N66-N69 PolarHBondContact OD1-N 3.19Å; N66-N69 PolarHBondContact OD1-OD1 3.44Å; N66-L70 WeakPolarHBondContact O-CB 2.97Å; N66-L70 PolarHBondContact O-N 2.98Å
67S90.9Very high83.8Confident32 Ų3248.6 Ų48.622%0.22427%0.273CS..Hα-helixtrans-64.6-24.5-179-64.90000113.6T32 Y33 R71T32-S67 WeakPolarHBondContact CA-OG 3.2Å; Y33-S67 PolarHBondContact N-OG 2.9Å; S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 VanDerWaalsContact O-CG 3.26Å; S67-R71 WeakPolarHBondContact O-CG 3.47Å; S67-R71 PolarHBondContact O-N 3.02Å; S67-R71 PolarHBondContact O-NE 3.16Å; S67-R71 VanDerWaalsContact O-NE 3.16Å
68S88.1Confident83.8Confident74 Ų7448.8 Ų48.852%0.51727%0.274SS..Hα-helixtrans-71.7-54.4176.5-1630000110.8N66 L70 R71 E72N66-S68 PolarHBondContact O-N 3.09Å; N66-S68 WeakPolarHBondContact OD1-CA 3.35Å; N66-S68 WeakPolarHBondContact OD1-CB 3.24Å; N66-S68 PolarHBondContact OD1-N 3.16Å; S68-L70 VanDerWaalsContact C-N 3.28Å; S68-L70 PolarHBondContact O-N 3.48Å; S68-R71 PolarHBondContact O-N 2.88Å; S68-R71 VanDerWaalsContact O-N 3.14Å; S68-E72 PolarHBondContact O-N 2.93Å
69N88.7Confident84Confident51 Ų5154.9 Ų54.927%0.27328%0.279SS..Hα-helixtrans-63.5-35.2178.5-62.1123000111.9V64 N66 E72 A73V64-N69 HydrophobicContact CG1-CB 4.49Å; N66-N69 VanDerWaalsContact CG-OD1 3.31Å; N66-N69 PolarHBondContact ND2-OD1 3.13Å; N66-N69 PolarHBondContact O-N 2.93Å; N66-N69 PolarHBondContact OD1-N 3.19Å; N66-N69 PolarHBondContact OD1-OD1 3.44Å; N69-E72 PolarHBondContact O-N 2.91Å; N69-A73 VanDerWaalsContact O-CB 3.23Å; N69-A73 WeakPolarHBondContact O-CB 3.43Å; N69-A73 PolarHBondContact O-N 3.26Å
70L90Very high84Confident0 Ų054.3 Ų54.30%027%0.271CS..Hα-helixtrans-62-44.9174.9178.560.1000111.4I31 L36 V64 N66 S68 A73 I74 L88I31-L70 HydrophobicContact CG1-CD2 4.29Å; I31-L70 HydrophobicContact CG2-CD2 4.36Å; L36-L70 HydrophobicContact CB-CD2 4.16Å; L36-L70 HydrophobicContact CD2-CD1 3.75Å; L36-L70 HydrophobicContact CD2-CD2 4Å; V64-L70 HydrophobicContact CG1-CB 3.65Å; V64-L70 HydrophobicContact CG1-CD1 4.1Å; V64-L70 HydrophobicContact CG1-CG 4.45Å; N66-L70 WeakPolarHBondContact O-CB 2.97Å; N66-L70 PolarHBondContact O-N 2.98Å; S68-L70 VanDerWaalsContact C-N 3.28Å; S68-L70 PolarHBondContact O-N 3.48Å; L70-A73 PolarHBondContact O-N 3.33Å; L70-I74 HydrophobicContact CD1-CD1 3.69Å; L70-I74 HydrophobicContact CD1-CG1 4.1Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 WeakPolarHBondContact O-CB 3.37Å; L70-I74 WeakPolarHBondContact O-CG1 3.23Å; L70-I74 PolarHBondContact O-N 3.45Å; L70-L88 HydrophobicContact CD1-CD1 3.75Å
71R88.4Confident83.9Confident102 Ų10254.8 Ų54.839%0.38527%0.27SS..Hα-helixtrans-66.1-43.7179.2-76.1-177.7-61.8-170.45.3111.2I31 S67 S68 I74 V75I31-R71 HydrophobicContact CG2-CG 4.27Å; S67-R71 WeakPolarHBondContact O-CB 3.43Å; S67-R71 VanDerWaalsContact O-CG 3.26Å; S67-R71 WeakPolarHBondContact O-CG 3.47Å; S67-R71 PolarHBondContact O-N 3.02Å; S67-R71 PolarHBondContact O-NE 3.16Å; S67-R71 VanDerWaalsContact O-NE 3.16Å; S68-R71 PolarHBondContact O-N 2.88Å; S68-R71 VanDerWaalsContact O-N 3.14Å; R71-I74 PolarHBondContact O-N 3.01Å; R71-V75 WeakPolarHBondContact O-CB 3.47Å; R71-V75 VanDerWaalsContact O-CG2 3.23Å; R71-V75 WeakPolarHBondContact O-CG2 3.34Å; R71-V75 PolarHBondContact O-N 2.99Å
72E88.1Confident83.9Confident83 Ų8362.2 Ų62.239%0.38831%0.307SS..Hα-helixtrans-56.4-51174.4-178.5180-173.400111.4S68 N69 I74 V75 R76S68-E72 PolarHBondContact O-N 2.93Å; N69-E72 PolarHBondContact O-N 2.91Å; E72-I74 PolarHBondContact O-N 3.22Å; E72-V75 PolarHBondContact O-N 3.43Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 IonicContact OE1-CZ 3.14Å; E72-R76 VanDerWaalsContact OE1-CZ 3.31Å; E72-R76 IonicContact OE1-NE 3.31Å; E72-R76 PolarHBondContact OE1-NE 3.16Å; E72-R76 IonicContact OE1-NH2 3.85Å; E72-R76 PolarHBondContact OE1-NH2 3.47Å
73A87Confident84.1Confident0 Ų064.6 Ų64.60%032%0.318CS..Hα-helixtrans-55-49.6178.800000112W55 V64 N69 L70 M77W55-A73 HydrophobicContact CB-CB 4.36Å; W55-A73 HydrophobicContact CD2-CB 3.44Å; W55-A73 VanDerWaalsContact CD2-CB 3.44Å; W55-A73 VanDerWaalsContact CE2-CB 3.43Å; W55-A73 HydrophobicContact CE3-CB 4.13Å; W55-A73 HydrophobicContact CG-CB 3.52Å; W55-A73 HydrophobicContact CZ2-CB 4.17Å; V64-A73 HydrophobicContact CG2-CB 4.32Å; N69-A73 VanDerWaalsContact O-CB 3.23Å; N69-A73 WeakPolarHBondContact O-CB 3.43Å; N69-A73 PolarHBondContact O-N 3.26Å; L70-A73 PolarHBondContact O-N 3.33Å; A73-M77 HydrophobicContact CB-CE 4Å; A73-M77 WeakPolarHBondContact O-CB 3.39Å; A73-M77 WeakPolarHBondContact O-CE 3.46Å; A73-M77 VanDerWaalsContact O-CG 3.29Å; A73-M77 WeakPolarHBondContact O-CG 3.34Å; A73-M77 PolarHBondContact O-N 2.83Å
74I87.3Confident84Confident0 Ų068.4 Ų68.40%034%0.337CS..Hα-helixtrans-65.4-44.6-179.3-67.3171.5000111L2 V4 I28 I31 L70 R71 E72 M77 I78 P86L2-I74 HydrophobicContact CD2-CG2 4.04Å; V4-I74 HydrophobicContact CG2-CD1 4.39Å; I28-I74 HydrophobicContact CD1-CB 3.99Å; I28-I74 HydrophobicContact CD1-CG2 3.28Å; I28-I74 HydrophobicContact CG1-CB 4.43Å; I28-I74 HydrophobicContact CG1-CG2 3.76Å; I31-I74 HydrophobicContact CD1-CD1 3.72Å; I31-I74 HydrophobicContact CG2-CD1 3.72Å; L70-I74 HydrophobicContact CD1-CD1 3.69Å; L70-I74 HydrophobicContact CD1-CG1 4.1Å; L70-I74 HydrophobicContact CG-CD1 3.84Å; L70-I74 WeakPolarHBondContact O-CB 3.37Å; L70-I74 WeakPolarHBondContact O-CG1 3.23Å; L70-I74 PolarHBondContact O-N 3.45Å; R71-I74 PolarHBondContact O-N 3.01Å; E72-I74 PolarHBondContact O-N 3.22Å; I74-M77 PolarHBondContact O-N 3.12Å; I74-I78 HydrophobicContact CG2-CD1 3.81Å; I74-I78 HydrophobicContact CG2-CG1 4.46Å; I74-I78 VanDerWaalsContact O-CG1 3.26Å; I74-I78 WeakPolarHBondContact O-CG1 3.37Å; I74-I78 PolarHBondContact O-N 2.9Å; I74-P86 HydrophobicContact CB-CG 4.34Å; I74-P86 HydrophobicContact CG1-CB 4.27Å; I74-P86 HydrophobicContact CG1-CG 4.43Å; I74-P86 HydrophobicContact CG2-CB 4.37Å; I74-P86 HydrophobicContact CG2-CG 3.66Å
75V87Confident83.9Confident59 Ų5969.5 Ų69.536%0.35834%0.344SS..Hα-helixtrans-58.5-51.6179.1169.50000109.9I28 R71 E72 I78 Y79I28-V75 HydrophobicContact CD1-CB 4.43Å; I28-V75 HydrophobicContact CD1-CG2 3.51Å; R71-V75 WeakPolarHBondContact O-CB 3.47Å; R71-V75 VanDerWaalsContact O-CG2 3.23Å; R71-V75 WeakPolarHBondContact O-CG2 3.34Å; R71-V75 PolarHBondContact O-N 2.99Å; E72-V75 PolarHBondContact O-N 3.43Å; V75-I78 PolarHBondContact O-N 3.05Å; V75-Y79 HydrophobicContact CG1-CD2 4.08Å; V75-Y79 HydrophobicContact CG1-CE2 3.89Å; V75-Y79 WeakPolarHBondContact O-CD2 3.35Å; V75-Y79 PolarHBondContact O-N 3.24Å
76R84.7Confident84Confident103 Ų10366.7 Ų66.739%0.38932%0.324SS..Hα-helixtrans-60.2-49.2179.8-73-178.3179.2-157.416.5111.8W55 E72 I78 Y79 D80W55-R76 HydrophobicContact CH2-CB 3.83Å; W55-R76 HydrophobicContact CH2-CG 4.24Å; W55-R76 HydrophobicContact CZ3-CB 3.89Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 IonicContact OE1-CZ 3.14Å; E72-R76 VanDerWaalsContact OE1-CZ 3.31Å; E72-R76 IonicContact OE1-NE 3.31Å; E72-R76 PolarHBondContact OE1-NE 3.16Å; E72-R76 IonicContact OE1-NH2 3.85Å; E72-R76 PolarHBondContact OE1-NH2 3.47Å; R76-I78 VanDerWaalsContact C-N 3.27Å; R76-I78 PolarHBondContact O-N 3.21Å; R76-Y79 PolarHBondContact O-N 3.4Å; R76-D80 WeakPolarHBondContact O-CB 3.47Å; R76-D80 VanDerWaalsContact O-CG 3.23Å; R76-D80 PolarHBondContact O-N 3.11Å
77M85.5Confident83.7Confident6 Ų665.1 Ų65.13%0.0332%0.316CS..Hα-helixtrans-62.2-29.9179.6-72.8-173.7-79.600114.5W55 A73 I74 Y79 R81 P86 L87 L88W55-M77 HydrophobicContact CB-CE 3.99Å; W55-M77 HydrophobicContact CB-SD 4.23Å; W55-M77 HydrophobicContact CD2-CE 4.4Å; W55-M77 HydrophobicContact CE3-CE 4.12Å; W55-M77 HydrophobicContact CE3-CG 3.63Å; W55-M77 HydrophobicContact CE3-SD 4.03Å; W55-M77 HydrophobicContact CG-CE 4.38Å; W55-M77 HydrophobicContact CZ3-CG 4Å; A73-M77 HydrophobicContact CB-CE 4Å; A73-M77 WeakPolarHBondContact O-CB 3.39Å; A73-M77 WeakPolarHBondContact O-CE 3.46Å; A73-M77 VanDerWaalsContact O-CG 3.29Å; A73-M77 WeakPolarHBondContact O-CG 3.34Å; A73-M77 PolarHBondContact O-N 2.83Å; I74-M77 PolarHBondContact O-N 3.12Å; M77-Y79 VanDerWaalsContact C-N 3.29Å; M77-R81 HydrophobicContact CB-CG 4.44Å; M77-R81 WeakPolarHBondContact O-CB 3.28Å; M77-R81 VanDerWaalsContact O-CG 3.29Å; M77-R81 WeakPolarHBondContact O-CG 3.33Å; M77-R81 PolarHBondContact O-N 3.32Å; M77-R81 VanDerWaalsContact O-N 3.12Å; M77-P86 HydrophobicContact CB-CB 4.23Å; M77-P86 HydrophobicContact CE-CB 3.78Å; M77-P86 HydrophobicContact SD-CB 4.22Å; M77-L87 PolarHBondContact SD-N 2.77Å; M77-L88 HydrophobicContact CE-CD2 3.62Å; M77-L88 HydrophobicContact CE-CG 4.42Å
78I82.7Confident83.5Confident45 Ų4563.7 Ų63.723%0.23131%0.305CS..Hα-helixtrans-66.6-34.9174-72.8167.7000110.9L2 I28 I74 V75 R76 N84 P86L2-I78 HydrophobicContact CD1-CD1 4.03Å; I28-I78 HydrophobicContact CD1-CD1 3.87Å; I74-I78 HydrophobicContact CG2-CD1 3.81Å; I74-I78 HydrophobicContact CG2-CG1 4.46Å; I74-I78 VanDerWaalsContact O-CG1 3.26Å; I74-I78 WeakPolarHBondContact O-CG1 3.37Å; I74-I78 PolarHBondContact O-N 2.9Å; V75-I78 PolarHBondContact O-N 3.05Å; R76-I78 VanDerWaalsContact C-N 3.27Å; R76-I78 PolarHBondContact O-N 3.21Å; I78-N84 PolarHBondContact O-OD1 2.79Å; I78-N84 VanDerWaalsContact O-OD1 3.1Å; I78-P86 HydrophobicContact CD1-CG 4.34Å; I78-P86 HydrophobicContact CG1-CG 3.86Å
79Y81.5Confident83Confident190 Ų19061.7 Ų61.775%0.74529%0.287SS*.Hα-helixtrans-82.4-36.3178-73.7-71.3000112.9V75 R76 M77V75-Y79 HydrophobicContact CG1-CD2 4.08Å; V75-Y79 HydrophobicContact CG1-CE2 3.89Å; V75-Y79 WeakPolarHBondContact O-CD2 3.35Å; V75-Y79 PolarHBondContact O-N 3.24Å; R76-Y79 PolarHBondContact O-N 3.4Å; M77-Y79 VanDerWaalsContact C-N 3.29Å
80D75.5Confident82.4Confident111 Ų11159.4 Ų59.459%0.59428%0.276SS*.Hα-helixtrans-88.4-23.3-170-61.4-28.8000113.3R76R76-D80 WeakPolarHBondContact O-CB 3.47Å; R76-D80 VanDerWaalsContact O-CG 3.23Å; R76-D80 PolarHBondContact O-N 3.11Å
81R70.7Confident81.4Confident75 Ų7560 Ų6028%0.28328%0.28SS..SBendtrans-95.7132.7-177.9-63.1177.256.393.60.6111.7M77 D83 N84 T85M77-R81 HydrophobicContact CB-CG 4.44Å; M77-R81 WeakPolarHBondContact O-CB 3.28Å; M77-R81 VanDerWaalsContact O-CG 3.29Å; M77-R81 WeakPolarHBondContact O-CG 3.33Å; M77-R81 PolarHBondContact O-N 3.32Å; M77-R81 VanDerWaalsContact O-N 3.12Å; R81-D83 IonicContact CZ-OD1 3.74Å; R81-D83 IonicContact CZ-OD2 3.86Å; R81-D83 IonicContact NE-OD1 3.65Å; R81-D83 PolarHBondContact NE-OD1 2.88Å; R81-D83 VanDerWaalsContact NE-OD1 3.14Å; R81-D83 IonicContact NH2-OD1 3.45Å; R81-D83 PolarHBondContact NH2-OD1 3.43Å; R81-D83 IonicContact NH2-OD2 2.89Å; R81-D83 PolarHBondContact NH2-OD2 3.14Å; R81-D83 PolarHBondContact O-N 2.69Å; R81-D83 VanDerWaalsContact O-N 3.11Å; R81-N84 PolarHBondContact O-N 2.94Å; R81-T85 WeakPolarHBondContact CD-O 3.37Å; R81-T85 PolarHBondContact NE-O 3.29Å
82E74.5Confident80.3Confident202 Ų20255.6 Ų55.694%0.94427%0.265SS*.THydrogen-bonded Turntrans-55.3-32.7177.6-62.3-178174.600113.6
83D79.4Confident79Confident77 Ų7752.6 Ų52.641%0.41225%0.252SS..THydrogen-bonded Turntrans-87.5-3.1-178.264.717000114.1R81 T85R81-D83 IonicContact CZ-OD1 3.74Å; R81-D83 IonicContact CZ-OD2 3.86Å; R81-D83 IonicContact NE-OD1 3.65Å; R81-D83 PolarHBondContact NE-OD1 2.88Å; R81-D83 VanDerWaalsContact NE-OD1 3.14Å; R81-D83 IonicContact NH2-OD1 3.45Å; R81-D83 PolarHBondContact NH2-OD1 3.43Å; R81-D83 IonicContact NH2-OD2 2.89Å; R81-D83 PolarHBondContact NH2-OD2 3.14Å; R81-D83 PolarHBondContact O-N 2.69Å; R81-D83 VanDerWaalsContact O-N 3.11Å; D83-T85 WeakPolarHBondContact O-CG2 3.47Å; D83-T85 PolarHBondContact O-N 3.14Å; D83-T85 VanDerWaalsContact O-N 3.1Å; D83-T85 PolarHBondContact OD1-N 2.79Å; D83-T85 PolarHBondContact OD1-OG1 3.37Å; D83-T85 PolarHBondContact OD2-OG1 3.07Å
84N78.8Confident77.2Confident104 Ų10454.7 Ų54.756%0.55626%0.264SS*.  trans53.222.3-173.1-53.4-52.1000113.8I78 R81 P86I78-N84 PolarHBondContact O-OD1 2.79Å; I78-N84 VanDerWaalsContact O-OD1 3.1Å; R81-N84 PolarHBondContact O-N 2.94Å; N84-P86 WeakPolarHBondContact O-CD 3.37Å
85T80.3Confident75.3Confident24 Ų2459.7 Ų59.715%0.14729%0.287CS..  trans-110.2108.2-178.765.10000111.5H5 R81 D83 L87H5-T85 PolarHBondContact CE1-OG1 3.1Å; H5-T85 VanDerWaalsContact CE1-OG1 3.24Å; H5-T85 PolarHBondContact ND1-OG1 2.92Å; R81-T85 WeakPolarHBondContact CD-O 3.37Å; R81-T85 PolarHBondContact NE-O 3.29Å; D83-T85 WeakPolarHBondContact O-CG2 3.47Å; D83-T85 PolarHBondContact O-N 3.14Å; D83-T85 VanDerWaalsContact O-N 3.1Å; D83-T85 PolarHBondContact OD1-N 2.79Å; D83-T85 PolarHBondContact OD1-OG1 3.37Å; D83-T85 PolarHBondContact OD2-OG1 3.07Å; T85-L87 PolarHBondContact O-N 3.44Å
86P86.4Confident73.1Confident0 Ų061.9 Ų61.90%030%0.296CS..  trans-50.6133173.8-25.429.2000112.7L2 V4 H5 I74 M77 I78 N84L2-P86 HydrophobicContact CD1-CG 4.42Å; V4-P86 HydrophobicContact CG1-CB 4.38Å; V4-P86 HydrophobicContact CG2-CB 4.41Å; H5-P86 PolarHBondContact N-O 3.3Å; I74-P86 HydrophobicContact CB-CG 4.34Å; I74-P86 HydrophobicContact CG1-CB 4.27Å; I74-P86 HydrophobicContact CG1-CG 4.43Å; I74-P86 HydrophobicContact CG2-CB 4.37Å; I74-P86 HydrophobicContact CG2-CG 3.66Å; M77-P86 HydrophobicContact CB-CB 4.23Å; M77-P86 HydrophobicContact CE-CB 3.78Å; M77-P86 HydrophobicContact SD-CB 4.22Å; I78-P86 HydrophobicContact CD1-CG 4.34Å; I78-P86 HydrophobicContact CG1-CG 3.86Å; N84-P86 WeakPolarHBondContact O-CD 3.37Å
87L83.2Confident71.2Confident30 Ų3064.5 Ų64.516%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-117.6110.1175.517964.3000110.4H5 A7 M77 T85 F89H5-L87 HydrophobicContact CB-CD1 3.64Å; H5-L87 CarbonylContact O-C 3.52Å; H5-L87 WeakPolarHBondContact O-CA 3.37Å; A7-L87 HydrophobicContact CB-CD1 4.16Å; M77-L87 PolarHBondContact SD-N 2.77Å; T85-L87 PolarHBondContact O-N 3.44Å; L87-F89 HydrophobicContact CD2-CE2 4.23Å; L87-F89 HydrophobicContact CD2-CZ 4.01Å; L87-F89 HydrophobicContact CG-CE2 4.21Å; L87-F89 HydrophobicContact CG-CZ 4.36Å
88L85Confident69.3Low1 Ų168.9 Ų68.91%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-100.3150.1172.2-58.9177.8000110.1V4 H5 V6 A7 L36 I53 W55 V64 L70 M77V4-L88 HydrophobicContact CG1-CD1 3.67Å; V4-L88 HydrophobicContact CG1-CG 3.88Å; H5-L88 PolarHBondContact O-N 3.11Å; V6-L88 CarbonylContact C-O 3.5Å; V6-L88 VanDerWaalsContact CA-O 3.29Å; V6-L88 WeakPolarHBondContact CA-O 3.2Å; V6-L88 HydrophobicContact CG2-CB 4.44Å; A7-L88 PolarHBondContact N-O 2.88Å; L36-L88 HydrophobicContact CD1-CD1 4.33Å; L36-L88 HydrophobicContact CD2-CD1 3.58Å; I53-L88 HydrophobicContact CG2-CB 4.2Å; I53-L88 HydrophobicContact CG2-CD1 4.22Å; I53-L88 HydrophobicContact CG2-CD2 4.4Å; W55-L88 HydrophobicContact CB-CD2 3.78Å; V64-L88 HydrophobicContact CG2-CD2 4.45Å; L70-L88 HydrophobicContact CD1-CD1 3.75Å; M77-L88 HydrophobicContact CE-CD2 3.62Å; M77-L88 HydrophobicContact CE-CG 4.42Å
89F78.2Confident67.4Low32 Ų3272 Ų7214%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-106.7120.5168.4-62.4-96.8000106.8A7 F17 I53 S54 Y61 L87A7-F89 HydrophobicContact CB-CD1 3.62Å; A7-F89 HydrophobicContact CB-CE1 3.83Å; A7-F89 HydrophobicContact CB-CG 4.29Å; F17-F89 HydrophobicContact CD1-CD1 4.37Å; F17-F89 AromaticContact CE1-CD1 3.94Å; F17-F89 HydrophobicContact CE1-CD1 3.94Å; F17-F89 HydrophobicContact CE1-CE1 4.26Å; F17-F89 HydrophobicContact CE2-CE1 4.16Å; F17-F89 HydrophobicContact CZ-CD1 4.1Å; F17-F89 HydrophobicContact CZ-CE1 4.02Å; I53-F89 CarbonylContact C-O 3.59Å; I53-F89 VanDerWaalsContact CA-O 3.28Å; I53-F89 WeakPolarHBondContact CA-O 2.94Å; S54-F89 PolarHBondContact N-O 2.66Å; S54-F89 PolarHBondContact O-N 3.03Å; Y61-F89 HydrophobicContact CD1-CD2 4.25Å; Y61-F89 HydrophobicContact CD1-CE2 4.38Å; Y61-F89 AromaticContact CE1-CD2 3.75Å; Y61-F89 HydrophobicContact CE1-CD2 3.75Å; Y61-F89 HydrophobicContact CE1-CE1 4.43Å; Y61-F89 AromaticContact CE1-CE2 3.55Å; Y61-F89 HydrophobicContact CE1-CE2 3.55Å; Y61-F89 HydrophobicContact CE1-CG 4.29Å; Y61-F89 AromaticContact CE1-CZ 3.91Å; Y61-F89 HydrophobicContact CE1-CZ 3.91Å; L87-F89 HydrophobicContact CD2-CE2 4.23Å; L87-F89 HydrophobicContact CD2-CZ 4.01Å; L87-F89 HydrophobicContact CG-CE2 4.21Å; L87-F89 HydrophobicContact CG-CZ 4.36Å
90A76.6Confident65.2Low3 Ų369.7 Ų69.73%0.02535%0.353CS..EExtended strand (participates in β ladder)trans-120.8144.6-177.600000111.1V6 A7 L8 L40 F51 Y52 I53 F104V6-A90 HydrophobicContact CG1-CB 3.38Å; A7-A90 PolarHBondContact O-N 3.19Å; A7-A90 VanDerWaalsContact O-N 3.16Å; L8-A90 HydrophobicContact CD2-CB 4.07Å; L8-A90 WeakPolarHBondContact CD2-O 3.43Å; L40-A90 HydrophobicContact CD1-CB 3.89Å; L40-A90 HydrophobicContact CD2-CB 4.09Å; F51-A90 HydrophobicContact CD1-CB 4.4Å; Y52-A90 CarbonylContact O-C 3.53Å; Y52-A90 WeakPolarHBondContact O-CA 3.08Å; I53-A90 HydrophobicContact CG1-CB 4.11Å; A90-F104 WeakPolarHBondContact O-CE1 3.29Å
91A67.9Low63.3Low12 Ų1265.5 Ų65.510%0.09933%0.331CS..EExtended strand (participates in β ladder)trans-144.7111.118000000113.5F51 Y52 V93 F104F51-A91 CarbonylContact C-O 3.58Å; F51-A91 VanDerWaalsContact CA-O 3.23Å; F51-A91 WeakPolarHBondContact CA-O 3.37Å; Y52-A91 PolarHBondContact N-O 2.89Å; Y52-A91 PolarHBondContact O-N 2.83Å; A91-V93 PolarHBondContact O-N 3.05Å; A91-F104 HydrophobicContact CB-CD1 3.09Å; A91-F104 HydrophobicContact CB-CE1 3.53Å; A91-F104 HydrophobicContact CB-CG 4.02Å
92P65.6Low61.6Low11 Ų1165.5 Ų65.57%0.07134%0.34CS..EExtended strand (participates in β ladder)trans-54.9126.4173.426.7-30000110.7K50 F51 F104K50-P92 CarbonylContact O-C 3.54Å; K50-P92 WeakPolarHBondContact O-CA 3.33Å; F51-P92 HydrophobicContact CD1-CB 3.94Å; F51-P92 HydrophobicContact CD1-CG 4.38Å; F51-P92 VanDerWaalsContact CD1-N 3.28Å; F51-P92 HydrophobicContact CE1-CB 3.7Å; F51-P92 HydrophobicContact CE1-CG 4.02Å; F51-P92 HydrophobicContact CZ-CB 4.1Å; P92-F104 HydrophobicContact CG-CD1 4.42Å; P92-F104 HydrophobicContact CG-CD2 3.24Å; P92-F104 HydrophobicContact CG-CE1 4.28Å; P92-F104 HydrophobicContact CG-CE2 3.11Å; P92-F104 HydrophobicContact CG-CG 3.92Å; P92-F104 HydrophobicContact CG-CZ 3.67Å
93V60.3Low59.7Low19 Ų1956.6 Ų56.612%0.11530%0.3CS..EExtended strand (participates in β ladder)trans-91.2127.2170.5177.40000106.1K50 A91 A204K50-V93 HydrophobicContact CB-CB 3.67Å; K50-V93 HydrophobicContact CB-CG1 4.28Å; K50-V93 HydrophobicContact CB-CG2 4.47Å; K50-V93 HydrophobicContact CD-CG1 4.39Å; K50-V93 PolarHBondContact O-N 3.21Å; A91-V93 PolarHBondContact O-N 3.05Å; V93-A204 WeakPolarHBondContact CG1-O 3.43Å
94L50Low57.8Low45 Ų4554.2 Ų54.224%0.23629%0.286CS..  trans-113.2149.2178.7-66.8144.3000109.4E98 K100 L101L94-E98 WeakPolarHBondContact CD2-OE2 3.45Å; L94-K100 WeakPolarHBondContact CD1-O 3.42Å; L94-L101 HydrophobicContact CB-CD2 3.89Å; L94-L101 HydrophobicContact CB-CG 4.07Å; L94-L101 HydrophobicContact CD1-CB 4.13Å; L94-L101 HydrophobicContact CD1-CD2 3.44Å; L94-L101 VanDerWaalsContact CD1-CD2 3.44Å; L94-L101 HydrophobicContact CD1-CG 3.67Å; L94-L101 HydrophobicContact CG-CD2 4.19Å
95H47.8Very low56.3Low104 Ų10450.7 Ų50.748%0.48127%0.265SS..  trans-70.3145.3-179-74.3-89.6000110.4N97 E98H95-N97 PolarHBondContact O-N 3.36Å; H95-E98 HydrophobicContact CB-CG 4.25Å; H95-E98 PolarHBondContact N-OE2 3.45Å; H95-E98 PolarHBondContact O-N 3.16Å
96L41.5Very low54.4Low106 Ų10649.7 Ų49.756%0.55526%0.26SS*.THydrogen-bonded Turntrans-52.6-21.2-178.6-80.4153.9000114.5K201L96-K201 VanDerWaalsContact CD2-CE 3.48Å; L96-K201 HydrophobicContact CD2-CG 4.25Å
97N44.1Very low52.5Low158 Ų15850.4 Ų50.485%0.84527%0.268SS*.THydrogen-bonded Turntrans-98.2-0-178.8-62.9-8.7000113.6H95H95-N97 PolarHBondContact O-N 3.36Å
98E46Very low50.9Low98 Ų9850.3 Ų50.346%0.45827%0.269SS..  trans-94.2119.3176.2-67.1-178.5143.400110L94 H95 K100L94-E98 WeakPolarHBondContact CD2-OE2 3.45Å; H95-E98 HydrophobicContact CB-CG 4.25Å; H95-E98 PolarHBondContact N-OE2 3.45Å; H95-E98 PolarHBondContact O-N 3.16Å; E98-K100 PolarHBondContact O-N 3.19Å
99T41.8Very low49.3Very low109 Ų10955 Ų5567%0.66929%0.286SS*.SBendtrans-74.722-174.345.90000114.9
100K36.3Very low48.1Very low143 Ų14355.5 Ų55.562%0.62229%0.293SS*.  trans-144.692-177.6-66.9-174.9-178.7179.30111.4L94 E98 P102L94-K100 WeakPolarHBondContact CD1-O 3.42Å; E98-K100 PolarHBondContact O-N 3.19Å; K100-P102 VanDerWaalsContact O-CD 3.29Å; K100-P102 WeakPolarHBondContact O-CD 3.3Å
101L35.7Very low47.3Very low23 Ų2360.5 Ų60.512%0.1232%0.316CS..  trans-96.897.8159.8-85.6149.5000108.4L94 S103 I162 E180 H181 P182L94-L101 HydrophobicContact CB-CD2 3.89Å; L94-L101 HydrophobicContact CB-CG 4.07Å; L94-L101 HydrophobicContact CD1-CB 4.13Å; L94-L101 HydrophobicContact CD1-CD2 3.44Å; L94-L101 VanDerWaalsContact CD1-CD2 3.44Å; L94-L101 HydrophobicContact CD1-CG 3.67Å; L94-L101 HydrophobicContact CG-CD2 4.19Å; L101-S103 PolarHBondContact O-N 2.94Å; L101-I162 HydrophobicContact CD1-CD1 3.62Å; L101-I162 HydrophobicContact CD1-CG1 3.5Å; L101-E180 CarbonylContact C-O 3.4Å; L101-E180 WeakPolarHBondContact CA-O 3.04Å; L101-E180 PolarHBondContact N-O 3.16Å; L101-E180 CarbonylContact O-C 3.55Å; L101-H181 CarbonylContact O-C 3.56Å; L101-H181 VanDerWaalsContact O-C 3.29Å; L101-H181 WeakPolarHBondContact O-CA 3.33Å; L101-H181 PolarHBondContact O-N 3.16Å; L101-P182 VanDerWaalsContact CB-CD 3.43Å; L101-P182 HydrophobicContact CB-CG 3.74Å; L101-P182 HydrophobicContact CD1-CG 3.72Å; L101-P182 HydrophobicContact CD2-CG 3.67Å; L101-P182 HydrophobicContact CG-CG 3.9Å
102P34Very low46.8Very low75 Ų7562.6 Ų62.649%0.48733%0.326SS..  trans-6691.2164.922.5-19.1000107.7K100 F104K100-P102 VanDerWaalsContact O-CD 3.29Å; K100-P102 WeakPolarHBondContact O-CD 3.3Å; P102-F104 WeakPolarHBondContact O-CD2 3.43Å; P102-F104 PolarHBondContact O-N 2.93Å
103S34Very low46.7Very low15 Ų1562.5 Ų62.511%0.10532%0.324CS..  trans41.850.8152-44.10000115.8L101 Y105 G106L101-S103 PolarHBondContact O-N 2.94Å; S103-Y105 PolarHBondContact O-N 3.41Å; S103-G106 PolarHBondContact O-N 3.47Å
104F40.9Very low46.8Very low26 Ų2661.7 Ų61.711%0.11432%0.32CS..SBendtrans-85.834.2-172.5-110.9-69.3000117.1L8 P9 A90 A91 P92 P102L8-F104 HydrophobicContact CD2-CZ 4.2Å; P9-F104 HydrophobicContact CG-CD1 3.45Å; P9-F104 VanDerWaalsContact CG-CD1 3.45Å; P9-F104 HydrophobicContact CG-CE1 3.11Å; P9-F104 HydrophobicContact CG-CG 4.43Å; P9-F104 HydrophobicContact CG-CZ 3.84Å; A90-F104 WeakPolarHBondContact O-CE1 3.29Å; A91-F104 HydrophobicContact CB-CD1 3.09Å; A91-F104 HydrophobicContact CB-CE1 3.53Å; A91-F104 HydrophobicContact CB-CG 4.02Å; P92-F104 HydrophobicContact CG-CD1 4.42Å; P92-F104 HydrophobicContact CG-CD2 3.24Å; P92-F104 HydrophobicContact CG-CE1 4.28Å; P92-F104 HydrophobicContact CG-CE2 3.11Å; P92-F104 HydrophobicContact CG-CG 3.92Å; P92-F104 HydrophobicContact CG-CZ 3.67Å; P102-F104 WeakPolarHBondContact O-CD2 3.43Å; P102-F104 PolarHBondContact O-N 2.93Å
105Y46.5Very low47.5Very low30 Ų3060.6 Ų60.612%0.11832%0.315CS..  trans-148.667.6155.3-70.4-75.4000108.1S103 G107 C108 L113 V161 P182 M183 L184 V200S103-Y105 PolarHBondContact O-N 3.41Å; Y105-G107 WeakPolarHBondContact O-CA 3.26Å; Y105-G107 PolarHBondContact O-N 2.91Å; Y105-C108 HydrophobicContact CD1-CB 3.76Å; Y105-L113 HydrophobicContact CD1-CD2 4.35Å; Y105-L113 HydrophobicContact CE1-CD2 3.68Å; Y105-V161 HydrophobicContact CD2-CG2 4.39Å; Y105-P182 HydrophobicContact CD2-CB 4.28Å; Y105-M183 CarbonylContact C-O 3.51Å; Y105-M183 VanDerWaalsContact CB-O 3.26Å; Y105-M183 WeakPolarHBondContact CB-O 3.42Å; Y105-L184 HydrophobicContact CD1-CD2 4.2Å; Y105-L184 HydrophobicContact CD2-CD2 3.75Å; Y105-L184 HydrophobicContact CE2-CD2 4.45Å; Y105-L184 HydrophobicContact CG-CD2 3.61Å; Y105-V200 HydrophobicContact CE2-CG1 3.94Å
106G41Very low48.2Very low4 Ų457.7 Ų57.74%0.04130%0.303CS..SBendtrans-50.9111.8158.100000107.4S103 C108S103-G106 PolarHBondContact O-N 3.47Å; G106-C108 PolarHBondContact O-N 2.98Å
107G45.3Very low49.1Very low15 Ų1552.7 Ų52.716%0.15528%0.277CS..SBendtrans-18.887.3-151.900000120.3Y105Y105-G107 WeakPolarHBondContact O-CA 3.26Å; Y105-G107 PolarHBondContact O-N 2.91Å
108C49.9Very low49.9Very low27 Ų2749.6 Ų49.618%0.18225%0.254CS..  trans-78.1124.3160-1650000108.5Y105 G106 N112Y105-C108 HydrophobicContact CD1-CB 3.76Å; G106-C108 PolarHBondContact O-N 2.98Å; C108-N112 VanDerWaalsContact SG-CB 3.55Å
109R52.6Low50.8Low99 Ų9949.8 Ų49.837%0.37426%0.255SS..  trans-70148171.6-53.3-171.6-175.3166.73.4109.3E111 N112R109-E111 HydrophobicContact CB-CG 4.03Å; R109-E111 WeakPolarHBondContact CB-OE1 3.49Å; R109-E111 WeakPolarHBondContact CB-OE2 3.36Å; R109-E111 WeakPolarHBondContact CD-OE1 3.18Å; R109-E111 IonicContact NH1-OE1 3.59Å; R109-E111 PolarHBondContact O-N 3.33Å; R109-E111 VanDerWaalsContact O-N 3.16Å; R109-N112 WeakPolarHBondContact O-CA 3.44Å; R109-N112 WeakPolarHBondContact O-CB 3.45Å; R109-N112 PolarHBondContact O-N 2.93Å
110P52.7Low51.6Low43 Ų4348.4 Ų48.428%0.27924%0.237SC..G310 helixtrans-51.3-39.1178-30.137.7000114.1N112 L113 F192P110-N112 PolarHBondContact O-N 3.03Å; P110-L113 WeakPolarHBondContact O-CB 3.31Å; P110-L113 PolarHBondContact O-N 2.92Å; P110-L113 VanDerWaalsContact O-N 3.14Å; P110-F192 HydrophobicContact CG-CE1 3.98Å; P110-F192 HydrophobicContact CG-CE2 3.54Å; P110-F192 HydrophobicContact CG-CZ 3.14Å
111E59Low52.5Low108 Ų10842.2 Ų42.251%0.50521%0.212SC..G310 helixtrans-65.5-21.3177.860.2-92.3-151.700113.5R109 R118R109-E111 HydrophobicContact CB-CG 4.03Å; R109-E111 WeakPolarHBondContact CB-OE1 3.49Å; R109-E111 WeakPolarHBondContact CB-OE2 3.36Å; R109-E111 WeakPolarHBondContact CD-OE1 3.18Å; R109-E111 IonicContact NH1-OE1 3.59Å; R109-E111 PolarHBondContact O-N 3.33Å; R109-E111 VanDerWaalsContact O-N 3.16Å; E111-R118 PolarHBondContact O-NH1 3.44Å; E111-R118 VanDerWaalsContact O-NH1 3.16Å
112N58.8Low53.6Low57 Ų5745.7 Ų45.731%0.30524%0.239SC..G310 helixtrans-90.3-4.2177.7-61.1-13.9000112.4Y61 C108 R109 P110Y61-N112 HydrophobicContact CD2-CB 4.39Å; Y61-N112 WeakPolarHBondContact CD2-O 3.23Å; Y61-N112 HydrophobicContact CE2-CB 3.96Å; C108-N112 VanDerWaalsContact SG-CB 3.55Å; R109-N112 WeakPolarHBondContact O-CA 3.44Å; R109-N112 WeakPolarHBondContact O-CB 3.45Å; R109-N112 PolarHBondContact O-N 2.93Å; P110-N112 PolarHBondContact O-N 3.03Å
113L62Low54.9Low8 Ų849.5 Ų49.54%0.04224%0.244CC..SBendtrans-74.8140.2171.6-63.8170.5000109.6Y105 P110 F117 R118Y105-L113 HydrophobicContact CD1-CD2 4.35Å; Y105-L113 HydrophobicContact CE1-CD2 3.68Å; P110-L113 WeakPolarHBondContact O-CB 3.31Å; P110-L113 PolarHBondContact O-N 2.92Å; P110-L113 VanDerWaalsContact O-N 3.14Å; L113-F117 HydrophobicContact CB-CD1 4.08Å; L113-F117 HydrophobicContact CD1-CD1 4.02Å; L113-F117 HydrophobicContact CD1-CE1 3.83Å; L113-F117 HydrophobicContact CD2-CE1 4.44Å; L113-F117 HydrophobicContact CG-CD1 4.44Å; L113-R118 HydrophobicContact CB-CG 4.05Å; L113-R118 PolarHBondContact O-NH1 3.46Å
114P62.5Low55.7Low3 Ų349.5 Ų49.52%0.01924%0.244CC..  trans-52.9146.2177.5-36.444.4000115Y52 Y61 D116 F117 R118Y52-P114 HydrophobicContact CE1-CG 4.23Å; Y52-P114 VanDerWaalsContact OH-CB 3.29Å; Y52-P114 WeakPolarHBondContact OH-CB 3.47Å; Y52-P114 WeakPolarHBondContact OH-CD 3.37Å; Y52-P114 WeakPolarHBondContact OH-CG 3.4Å; Y61-P114 WeakPolarHBondContact O-CA 3.29Å; Y61-P114 VanDerWaalsContact O-CB 3.28Å; Y61-P114 WeakPolarHBondContact O-CB 3.12Å; P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 WeakPolarHBondContact CB-OD1 3.4Å; P114-D116 PolarHBondContact O-N 2.66Å; P114-F117 HydrophobicContact CB-CB 4.27Å; P114-F117 WeakPolarHBondContact O-CA 3.47Å; P114-F117 VanDerWaalsContact O-CB 3.27Å; P114-F117 WeakPolarHBondContact O-CB 3.09Å; P114-F117 PolarHBondContact O-N 2.85Å; P114-R118 WeakPolarHBondContact O-CG 3.46Å; P114-R118 PolarHBondContact O-N 2.87Å
115S66.1Low56.1Low21 Ų2153.7 Ų53.715%0.14727%0.272CS..Hα-helixtrans-57-45.7-177.344.60000112.4E60 F117 R118 E119E60-S115 VanDerWaalsContact CD-OG 3.22Å; E60-S115 PolarHBondContact OE1-OG 2.89Å; E60-S115 WeakPolarHBondContact OE2-CB 3.19Å; E60-S115 PolarHBondContact OE2-OG 3Å; E60-S115 VanDerWaalsContact OE2-OG 3.09Å; S115-F117 PolarHBondContact O-N 2.85Å; S115-R118 CarbonylContact O-C 3.51Å; S115-R118 PolarHBondContact O-N 3.19Å; S115-R118 VanDerWaalsContact O-N 3.07Å; S115-E119 WeakPolarHBondContact O-CB 3.36Å; S115-E119 WeakPolarHBondContact O-CG 3.21Å; S115-E119 PolarHBondContact O-N 3.42Å
116D61.7Low56.4Low43 Ų4355.8 Ų55.823%0.2328%0.282CS..Hα-helixtrans-60-35.1176.671.2-51000112.2T63 P114 R120T63-D116 WeakPolarHBondContact CB-OD2 3.48Å; T63-D116 VanDerWaalsContact OG1-CG 3.26Å; T63-D116 PolarHBondContact OG1-OD1 3.35Å; T63-D116 PolarHBondContact OG1-OD2 3.46Å; P114-D116 VanDerWaalsContact C-N 3.33Å; P114-D116 WeakPolarHBondContact CB-OD1 3.4Å; P114-D116 PolarHBondContact O-N 2.66Å; D116-R120 VanDerWaalsContact O-CB 3.25Å; D116-R120 WeakPolarHBondContact O-CB 3.33Å; D116-R120 WeakPolarHBondContact O-CG 3.26Å; D116-R120 PolarHBondContact O-N 2.91Å; D116-R120 PolarHBondContact O-NE 3.07Å; D116-R120 VanDerWaalsContact O-NE 3.09Å; D116-R120 IonicContact OD2-CZ 3.61Å; D116-R120 IonicContact OD2-NE 3.89Å; D116-R120 IonicContact OD2-NH2 2.66Å; D116-R120 PolarHBondContact OD2-NH2 2.79Å
117F60.8Low56.6Low2 Ų263 Ų631%0.00932%0.319CS..Hα-helixtrans-67.8-48.9172-175.3-79000111Y52 L113 P114 S115 E119 R120 A121 V200 V203Y52-F117 HydrophobicContact CE2-CD2 4.44Å; L113-F117 HydrophobicContact CB-CD1 4.08Å; L113-F117 HydrophobicContact CD1-CD1 4.02Å; L113-F117 HydrophobicContact CD1-CE1 3.83Å; L113-F117 HydrophobicContact CD2-CE1 4.44Å; L113-F117 HydrophobicContact CG-CD1 4.44Å; P114-F117 HydrophobicContact CB-CB 4.27Å; P114-F117 WeakPolarHBondContact O-CA 3.47Å; P114-F117 VanDerWaalsContact O-CB 3.27Å; P114-F117 WeakPolarHBondContact O-CB 3.09Å; P114-F117 PolarHBondContact O-N 2.85Å; S115-F117 PolarHBondContact O-N 2.85Å; F117-E119 VanDerWaalsContact C-N 3.33Å; F117-E119 PolarHBondContact O-N 2.75Å; F117-R120 PolarHBondContact O-N 2.86Å; F117-A121 HydrophobicContact CE1-CB 4.44Å; F117-A121 WeakPolarHBondContact O-CB 3.37Å; F117-A121 PolarHBondContact O-N 2.99Å; F117-V200 HydrophobicContact CE1-CB 4.29Å; F117-V200 HydrophobicContact CE1-CG2 3.53Å; F117-V200 HydrophobicContact CZ-CB 3.86Å; F117-V200 HydrophobicContact CZ-CG1 3.96Å; F117-V200 HydrophobicContact CZ-CG2 3.58Å; F117-V203 HydrophobicContact CD2-CB 4.07Å; F117-V203 HydrophobicContact CD2-CG1 3.31Å; F117-V203 HydrophobicContact CE2-CB 3.72Å; F117-V203 HydrophobicContact CE2-CG1 3.44Å; F117-V203 VanDerWaalsContact CE2-CG1 3.44Å; F117-V203 HydrophobicContact CG-CG1 4.1Å; F117-V203 HydrophobicContact CZ-CB 4.16Å; F117-V203 HydrophobicContact CZ-CG1 4.3Å
118R61.3Low56.7Low93 Ų9370.3 Ų70.335%0.35135%0.347SS..Hα-helixtrans-60.2-42.1178.6-64.9-174.1-52.7-115.12.7111.7E60 E111 L113 P114 S115 A121 S122E60-R118 IonicContact OE2-NH2 2.83Å; E111-R118 PolarHBondContact O-NH1 3.44Å; E111-R118 VanDerWaalsContact O-NH1 3.16Å; L113-R118 HydrophobicContact CB-CG 4.05Å; L113-R118 PolarHBondContact O-NH1 3.46Å; P114-R118 WeakPolarHBondContact O-CG 3.46Å; P114-R118 PolarHBondContact O-N 2.87Å; S115-R118 CarbonylContact O-C 3.51Å; S115-R118 PolarHBondContact O-N 3.19Å; S115-R118 VanDerWaalsContact O-N 3.07Å; R118-A121 PolarHBondContact O-N 2.8Å; R118-S122 WeakPolarHBondContact O-CB 3.4Å; R118-S122 PolarHBondContact O-N 3.21Å; R118-S122 PolarHBondContact O-OG 2.84Å
119E64Low56.3Low101 Ų10178.4 Ų78.447%0.47238%0.382SS..Hα-helixtrans-68.8-41.3177.9-73.9-178.2-175.100112.5S115 F117 A121 S122 R123S115-E119 WeakPolarHBondContact O-CB 3.36Å; S115-E119 WeakPolarHBondContact O-CG 3.21Å; S115-E119 PolarHBondContact O-N 3.42Å; F117-E119 VanDerWaalsContact C-N 3.33Å; F117-E119 PolarHBondContact O-N 2.75Å; E119-A121 VanDerWaalsContact C-N 3.28Å; E119-S122 VanDerWaalsContact CA-OG 3.29Å; E119-S122 WeakPolarHBondContact CA-OG 3.23Å; E119-S122 PolarHBondContact O-N 2.68Å; E119-S122 PolarHBondContact O-OG 2.82Å; E119-R123 VanDerWaalsContact O-CB 3.31Å; E119-R123 WeakPolarHBondContact O-CB 3.42Å; E119-R123 VanDerWaalsContact O-CG 3.24Å; E119-R123 WeakPolarHBondContact O-CG 3.5Å; E119-R123 PolarHBondContact O-N 2.75Å; E119-R123 PolarHBondContact O-NE 3.26Å; E119-R123 VanDerWaalsContact O-NE 3.09Å; E119-R123 IonicContact OE2-CZ 3.95Å; E119-R123 IonicContact OE2-NH2 3.05Å; E119-R123 PolarHBondContact OE2-NH2 3.44Å
120R58.1Low55.8Low81 Ų8177 Ų7731%0.30638%0.381SS..Hα-helixtrans-64.1-41.5172.9-77.8-177.9-77.2168.3-7.5110D116 F117 S122 R123 A124 V203D116-R120 VanDerWaalsContact O-CB 3.25Å; D116-R120 WeakPolarHBondContact O-CB 3.33Å; D116-R120 WeakPolarHBondContact O-CG 3.26Å; D116-R120 PolarHBondContact O-N 2.91Å; D116-R120 PolarHBondContact O-NE 3.07Å; D116-R120 VanDerWaalsContact O-NE 3.09Å; D116-R120 IonicContact OD2-CZ 3.61Å; D116-R120 IonicContact OD2-NE 3.89Å; D116-R120 IonicContact OD2-NH2 2.66Å; D116-R120 PolarHBondContact OD2-NH2 2.79Å; F117-R120 PolarHBondContact O-N 2.86Å; R120-S122 VanDerWaalsContact C-N 3.34Å; R120-S122 PolarHBondContact O-N 3.12Å; R120-R123 CarbonylContact O-C 3.51Å; R120-R123 PolarHBondContact O-N 2.84Å; R120-R123 VanDerWaalsContact O-N 3.16Å; R120-A124 PolarHBondContact O-N 3.22Å; R120-V203 HydrophobicContact CB-CG1 4.37Å; R120-V203 HydrophobicContact CB-CG2 3.67Å
121A56Low55.2Low12 Ų1279.1 Ų79.110%0.09939%0.39CS..Hα-helixtrans-63.9-40.2177.800000112.1F117 R118 E119 R123 A124 A199 V203F117-A121 HydrophobicContact CE1-CB 4.44Å; F117-A121 WeakPolarHBondContact O-CB 3.37Å; F117-A121 PolarHBondContact O-N 2.99Å; R118-A121 PolarHBondContact O-N 2.8Å; E119-A121 VanDerWaalsContact C-N 3.28Å; A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 2.98Å; A121-A124 WeakPolarHBondContact O-CB 3.5Å; A121-A124 PolarHBondContact O-N 2.86Å; A121-A199 HydrophobicContact CB-CB 3.5Å; A121-A199 VanDerWaalsContact O-CB 3.23Å; A121-A199 WeakPolarHBondContact O-CB 3.39Å; A121-V203 HydrophobicContact CB-CG2 4.41Å
122S57.8Low54.3Low97 Ų9780.2 Ų80.268%0.67839%0.39SS*.Hα-helixtrans-70.3-26.6174.962.80000113.4R118 E119 R120R118-S122 WeakPolarHBondContact O-CB 3.4Å; R118-S122 PolarHBondContact O-N 3.21Å; R118-S122 PolarHBondContact O-OG 2.84Å; E119-S122 VanDerWaalsContact CA-OG 3.29Å; E119-S122 WeakPolarHBondContact CA-OG 3.23Å; E119-S122 PolarHBondContact O-N 2.68Å; E119-S122 PolarHBondContact O-OG 2.82Å; R120-S122 VanDerWaalsContact C-N 3.34Å; R120-S122 PolarHBondContact O-N 3.12Å
123R61.3Low53.3Low155 Ų15586.8 Ų86.859%0.58542%0.416SS*.Hα-helixtrans-86.6-12.3176.9-76.1-178.8-76.1-161.2-8113.4E119 R120 A121 V125E119-R123 VanDerWaalsContact O-CB 3.31Å; E119-R123 WeakPolarHBondContact O-CB 3.42Å; E119-R123 VanDerWaalsContact O-CG 3.24Å; E119-R123 WeakPolarHBondContact O-CG 3.5Å; E119-R123 PolarHBondContact O-N 2.75Å; E119-R123 PolarHBondContact O-NE 3.26Å; E119-R123 VanDerWaalsContact O-NE 3.09Å; E119-R123 IonicContact OE2-CZ 3.95Å; E119-R123 IonicContact OE2-NH2 3.05Å; E119-R123 PolarHBondContact OE2-NH2 3.44Å; R120-R123 CarbonylContact O-C 3.51Å; R120-R123 PolarHBondContact O-N 2.84Å; R120-R123 VanDerWaalsContact O-N 3.16Å; A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 2.98Å; R123-V125 PolarHBondContact O-N 3.46Å
124A51.9Low52.3Low15 Ų1593.8 Ų93.812%0.12445%0.449CS..  trans-59.5109.9-179.200000109.3R120 A121 F126 A199 I202R120-A124 PolarHBondContact O-N 3.22Å; A121-A124 WeakPolarHBondContact O-CB 3.5Å; A121-A124 PolarHBondContact O-N 2.86Å; A124-F126 HydrophobicContact CB-CE1 4.45Å; A124-F126 PolarHBondContact O-N 3.35Å; A124-A199 HydrophobicContact CB-CB 4.09Å; A124-I202 HydrophobicContact CB-CD1 4.06Å
125V49Very low51.2Low113 Ų11396.7 Ų96.769%0.68547%0.468SS*.  trans-76.5109.4175.7-177.30000107.1R123 N127R123-V125 PolarHBondContact O-N 3.46Å; V125-N127 PolarHBondContact O-N 3.46Å
126F52.7Low49.9Very low75 Ų75104.7 Ų104.733%0.32950%0.503SS..  trans-69.998.3176.7-52.9-71000108.5A124 K128 P195 Q198 A199A124-F126 HydrophobicContact CB-CE1 4.45Å; A124-F126 PolarHBondContact O-N 3.35Å; F126-K128 PolarHBondContact O-N 2.78Å; F126-P195 HydrophobicContact CE1-CB 4.48Å; F126-P195 WeakPolarHBondContact CE1-O 3.01Å; F126-P195 HydrophobicContact CE2-CB 3.93Å; F126-P195 HydrophobicContact CZ-CB 3.67Å; F126-P195 VanDerWaalsContact CZ-O 3.31Å; F126-P195 WeakPolarHBondContact CZ-O 3.4Å; F126-Q198 HydrophobicContact CD1-CB 3.84Å; F126-Q198 HydrophobicContact CE1-CB 3.52Å; F126-A199 HydrophobicContact CE1-CB 4.23Å; F126-A199 HydrophobicContact CZ-CB 4.24Å
127N46Very low48.6Very low155 Ų155109.5 Ų109.583%0.82953%0.528SS*.SBendtrans-67.117179.2-76.9-23.8000114.4V125V125-N127 PolarHBondContact O-N 3.46Å
128K46.5Very low47.5Very low168 Ų168114 Ų11473%0.7356%0.557SS**  trans-128.8110.2165.8-85.7-177.1172.7-178.90108F126 I130F126-K128 PolarHBondContact O-N 2.78Å; K128-I130 HydrophobicContact CB-CG1 4.33Å; K128-I130 PolarHBondContact O-N 3.43Å
129E41.4Very low46.4Very low198 Ų198113.7 Ų113.793%0.92557%0.565SS**  trans-60.293.5150-74.3-178.3163.100106.3D131E129-D131 PolarHBondContact O-N 3.28Å
130I42.6Very low45.2Very low69 Ų69113.9 Ų113.935%0.35457%0.569SS.*  trans-70.7109.2159-61.4173.6000103.6K128 Y132K128-I130 HydrophobicContact CB-CG1 4.33Å; K128-I130 PolarHBondContact O-N 3.43Å; I130-Y132 HydrophobicContact CB-CD2 4.47Å; I130-Y132 HydrophobicContact CB-CE1 4.42Å; I130-Y132 HydrophobicContact CB-CE2 3.91Å; I130-Y132 HydrophobicContact CG2-CD1 4.2Å; I130-Y132 HydrophobicContact CG2-CD2 4.49Å; I130-Y132 HydrophobicContact CG2-CE1 3.89Å; I130-Y132 HydrophobicContact CG2-CE2 4.19Å; I130-Y132 HydrophobicContact CG2-CG 4.49Å; I130-Y132 WeakPolarHBondContact O-CD2 3.12Å; I130-Y132 WeakPolarHBondContact O-CE2 3.27Å; I130-Y132 PolarHBondContact O-N 3.33Å
131D39.9Very low44.7Very low87 Ų87116.2 Ų116.247%0.46559%0.586SS.*  trans-69.196.8174.2-172.5-1.7000109E129 K133 E134E129-D131 PolarHBondContact O-N 3.28Å; D131-K133 PolarHBondContact O-N 2.99Å; D131-K133 WeakPolarHBondContact OD1-CA 3.16Å; D131-K133 WeakPolarHBondContact OD1-CB 3.45Å; D131-K133 PolarHBondContact OD1-N 3.09Å; D131-E134 CarbonylContact O-C 3.51Å; D131-E134 PolarHBondContact O-N 2.84Å
132Y39.2Very low44.5Very low131 Ų131121.8 Ų121.851%0.51461%0.61SS.*THydrogen-bonded Turntrans-72.8-5.6176.3-62.9-82.2000112.8I130I130-Y132 HydrophobicContact CB-CD2 4.47Å; I130-Y132 HydrophobicContact CB-CE1 4.42Å; I130-Y132 HydrophobicContact CB-CE2 3.91Å; I130-Y132 HydrophobicContact CG2-CD1 4.2Å; I130-Y132 HydrophobicContact CG2-CD2 4.49Å; I130-Y132 HydrophobicContact CG2-CE1 3.89Å; I130-Y132 HydrophobicContact CG2-CE2 4.19Å; I130-Y132 HydrophobicContact CG2-CG 4.49Å; I130-Y132 WeakPolarHBondContact O-CD2 3.12Å; I130-Y132 WeakPolarHBondContact O-CE2 3.27Å; I130-Y132 PolarHBondContact O-N 3.33Å
133K38.8Very low44.7Very low195 Ų195119.1 Ų119.185%0.84859%0.587SS**THydrogen-bonded Turntrans-85.3-23.2175.3-58.9-177.7177.1177.60112.4D131D131-K133 PolarHBondContact O-N 2.99Å; D131-K133 WeakPolarHBondContact OD1-CA 3.16Å; D131-K133 WeakPolarHBondContact OD1-CB 3.45Å; D131-K133 PolarHBondContact OD1-N 3.09Å
134E41.3Very low45.4Very low156 Ų156113.8 Ų113.873%0.72957%0.57SS**SBendtrans-129.873.6172.4-74.1-170.6168.300110.9D131 E136D131-E134 CarbonylContact O-C 3.51Å; D131-E134 PolarHBondContact O-N 2.84Å; E134-E136 PolarHBondContact O-N 2.99Å
135P37.5Very low47Very low63 Ų63113 Ų11341%0.40956%0.564SS.*  trans-66.8109.1172.329.4-33.1000108.7L137 V139P135-L137 WeakPolarHBondContact CB-O 3.25Å; P135-L137 PolarHBondContact O-N 3.09Å; P135-V139 HydrophobicContact CB-CG2 3.84Å
136E39.4Very low48.8Very low189 Ų189111.1 Ų111.188%0.88355%0.55SS**SBendtrans-58.794.1161.9-73.3-169.3175.900107.6E134E134-E136 PolarHBondContact O-N 2.99Å
137L35.1Very low50.5Low144 Ų144111.4 Ų111.475%0.75455%0.554SS**SBendtrans78.6139.7-169.4-53.6144.7000112.4P135 V139P135-L137 WeakPolarHBondContact CB-O 3.25Å; P135-L137 PolarHBondContact O-N 3.09Å; L137-V139 PolarHBondContact O-N 3.27Å
138P38.6Very low52.6Low98 Ų98107 Ų10764%0.63654%0.535SS*.  trans-54.1120.7-175.322.7-31.4000108.9I140P138-I140 HydrophobicContact CB-CG1 4.15Å; P138-I140 HydrophobicContact CG-CG1 4.16Å; P138-I140 PolarHBondContact O-N 2.93Å
139V38Very low54.6Low85 Ų85104.5 Ų104.552%0.51553%0.529SS..  trans-66.390.5162.5177.50000104P135 L137 I141P135-V139 HydrophobicContact CB-CG2 3.84Å; L137-V139 PolarHBondContact O-N 3.27Å; V139-I141 HydrophobicContact CG1-CG1 4.33Å; V139-I141 PolarHBondContact O-N 3.34Å
140I38.3Very low56.7Low106 Ų10699.3 Ų99.354%0.54450%0.504SS..  trans-66.894177-64.2173.9000105.4P138 E142P138-I140 HydrophobicContact CB-CG1 4.15Å; P138-I140 HydrophobicContact CG-CG1 4.16Å; P138-I140 PolarHBondContact O-N 2.93Å; I140-E142 HydrophobicContact CG2-CB 3.46Å; I140-E142 VanDerWaalsContact CG2-CB 3.46Å; I140-E142 HydrophobicContact CG2-CG 3.79Å; I140-E142 PolarHBondContact O-N 2.99Å
141I46.7Very low58.5Low129 Ų129100.3 Ų100.366%0.66251%0.51SS*.  trans-69.1-6.9167.4-50.3170.1000109.4V139 L143V139-I141 HydrophobicContact CG1-CG1 4.33Å; V139-I141 PolarHBondContact O-N 3.34Å; I141-L143 PolarHBondContact O-N 3.46Å
142E52.8Low60.1Low129 Ų129103 Ų10360%0.60352%0.524SS*.  trans-61.1107.3172.5-51.1-176.516100108.3I140 I144I140-E142 HydrophobicContact CG2-CB 3.46Å; I140-E142 VanDerWaalsContact CG2-CB 3.46Å; I140-E142 HydrophobicContact CG2-CG 3.79Å; I140-E142 PolarHBondContact O-N 2.99Å; E142-I144 HydrophobicContact CB-CD1 3.91Å; E142-I144 HydrophobicContact CB-CG1 3.77Å; E142-I144 PolarHBondContact O-N 3.42Å; E142-I144 WeakPolarHBondContact OE2-CD1 3.16Å
143L61.2Low61.9Low41 Ų4197.4 Ų97.422%0.21550%0.502CS..  trans-69.571.4175.1-65163.9000107.6I141 W153 R157 V167I141-L143 PolarHBondContact O-N 3.46Å; L143-W153 WeakPolarHBondContact O-CH2 3.48Å; L143-W153 WeakPolarHBondContact O-CZ3 3.03Å; L143-R157 VanDerWaalsContact CD1-CD 3.44Å; L143-V167 HydrophobicContact CB-CG1 4.42Å; L143-V167 HydrophobicContact CD2-CG1 4.29Å; L143-V167 HydrophobicContact CD2-CG2 3.96Å
144I76.2Confident63.3Low43 Ų4393.8 Ų93.822%0.22150%0.5CS..  trans-89.7133.7176.6-60.8176.6000107E142 N146 N149 K150 N151E142-I144 HydrophobicContact CB-CD1 3.91Å; E142-I144 HydrophobicContact CB-CG1 3.77Å; E142-I144 PolarHBondContact O-N 3.42Å; E142-I144 WeakPolarHBondContact OE2-CD1 3.16Å; I144-N146 PolarHBondContact O-N 3.23Å; I144-N146 VanDerWaalsContact O-N 3.15Å; I144-N149 HydrophobicContact CG2-CB 4.26Å; I144-K150 WeakPolarHBondContact CA-O 3.42Å; I144-N151 HydrophobicContact CG1-CB 3.97Å
145C86.2Confident64.6Low0 Ų087.3 Ų87.30%048%0.475CS..  trans-65.6117.9172.6176.80000109.6I147 C148 N149 K150 W153 V167 C169 C172C145-I147 PolarHBondContact O-N 2.88Å; C145-C148 VanDerWaalsContact CB-SG 3.54Å; C145-C148 PolarHBondContact SG-SG 2.74Å; C145-N149 WeakPolarHBondContact O-CA 3.24Å; C145-N149 PolarHBondContact O-N 2.91Å; C145-K150 HydrophobicContact CB-CB 4.34Å; C145-K150 PolarHBondContact N-O 2.95Å; C145-W153 HydrophobicContact CB-CH2 3.94Å; C145-W153 HydrophobicContact CB-CZ3 4.05Å; C145-V167 CarbonylContact C-O 3.52Å; C145-V167 VanDerWaalsContact CA-O 3.25Å; C145-V167 WeakPolarHBondContact CA-O 3.22Å; C145-C169 HydrophobicContact CB-CB 3.95Å; C145-C169 PolarHBondContact SG-N 3.36Å; C145-C169 VanDerWaalsContact SG-N 3.36Å; C145-C172 VanDerWaalsContact SG-CB 3.6Å
146N86.9Confident66.2Low73 Ų7385.8 Ų85.839%0.3946%0.464SS..THydrogen-bonded Turntrans-62.5-12.1-176.5-64.879.5000115.1I144 R165 V166 V167I144-N146 PolarHBondContact O-N 3.23Å; I144-N146 VanDerWaalsContact O-N 3.15Å; N146-R165 VanDerWaalsContact CG-O 3.27Å; N146-R165 PolarHBondContact ND2-O 3.46Å; N146-R165 PolarHBondContact OD1-O 3.49Å; N146-V166 VanDerWaalsContact OD1-CA 3.29Å; N146-V166 WeakPolarHBondContact OD1-CA 3.29Å; N146-V167 PolarHBondContact N-O 3.47Å; N146-V167 PolarHBondContact OD1-N 2.8Å; N146-V167 PolarHBondContact OD1-O 2.79Å
147I87.7Confident67.9Low80 Ų8077 Ų7741%0.4142%0.423SS..THydrogen-bonded Turntrans-101.7-52.4-176.4-54.4-64.7000111.2C145 L168 C172 H177C145-I147 PolarHBondContact O-N 2.88Å; I147-L168 HydrophobicContact CD1-CD2 4.43Å; I147-L168 HydrophobicContact CG1-CD2 3.53Å; I147-C172 HydrophobicContact CB-CB 4.12Å; I147-C172 HydrophobicContact CG1-CB 4.35Å; I147-H177 HydrophobicContact CD1-CB 3.93Å; I147-H177 HydrophobicContact CG1-CB 3.69Å
148C90.7Very high69.8Low63 Ų6370.4 Ų70.443%0.42639%0.388SS..THydrogen-bonded Turntrans-100-3.2-176.864.70000114C145 K150C145-C148 VanDerWaalsContact CB-SG 3.54Å; C145-C148 PolarHBondContact SG-SG 2.74Å; C148-K150 PolarHBondContact O-N 2.76Å; C148-K150 WeakPolarHBondContact SG-CB 3.31Å
149N87.6Confident71.4Confident115 Ų11566 Ų6662%0.61536%0.359SS*.  trans54.116.5-173.6-61.8-37.4000114.7I144 C145 N151I144-N149 HydrophobicContact CG2-CB 4.26Å; C145-N149 WeakPolarHBondContact O-CA 3.24Å; C145-N149 PolarHBondContact O-N 2.91Å; N149-N151 PolarHBondContact O-N 2.9Å
150K86.1Confident72.9Confident89 Ų8962 Ų6239%0.38734%0.335SS..  trans-55.7131.6168.5-168.1179.8-165.8178.60107I144 C145 C148 W153 C169 D171I144-K150 WeakPolarHBondContact CA-O 3.42Å; C145-K150 HydrophobicContact CB-CB 4.34Å; C145-K150 PolarHBondContact N-O 2.95Å; C148-K150 PolarHBondContact O-N 2.76Å; C148-K150 WeakPolarHBondContact SG-CB 3.31Å; K150-W153 HydrophobicContact CB-CE3 4.18Å; K150-W153 HydrophobicContact CD-CB 3.96Å; K150-W153 HydrophobicContact CD-CD2 4.36Å; K150-W153 HydrophobicContact CD-CE3 4.35Å; K150-W153 HydrophobicContact CD-CG 4.22Å; K150-W153 HydrophobicContact CG-CB 4.22Å; K150-W153 HydrophobicContact CG-CD2 4.45Å; K150-W153 HydrophobicContact CG-CE3 3.98Å; K150-W153 WeakPolarHBondContact O-CZ3 3.28Å; K150-C169 HydrophobicContact CD-CB 4.22Å; K150-D171 IonicContact NZ-OD2 3.76Å
151N81.2Confident74Confident91 Ų9157.3 Ų57.349%0.48731%0.311SS..  trans-123166.7175.463.210.6000108.8I144 N149 W153I144-N151 HydrophobicContact CG1-CB 3.97Å; N149-N151 PolarHBondContact O-N 2.9Å; N151-W153 PolarHBondContact O-N 3.07Å
152N72Confident74.4Confident143 Ų14353.3 Ų53.377%0.76529%0.291SS*.SBendtrans46.533.3174.1-68.2-15.1000115.8
153W76.8Confident75Confident13 Ų1349 Ų495%0.04927%0.274CS..  trans-80.9145.6176.572.190.3000110.7L143 C145 K150 N151 D156 R157 V167 C169L143-W153 WeakPolarHBondContact O-CH2 3.48Å; L143-W153 WeakPolarHBondContact O-CZ3 3.03Å; C145-W153 HydrophobicContact CB-CH2 3.94Å; C145-W153 HydrophobicContact CB-CZ3 4.05Å; K150-W153 HydrophobicContact CB-CE3 4.18Å; K150-W153 HydrophobicContact CD-CB 3.96Å; K150-W153 HydrophobicContact CD-CD2 4.36Å; K150-W153 HydrophobicContact CD-CE3 4.35Å; K150-W153 HydrophobicContact CD-CG 4.22Å; K150-W153 HydrophobicContact CG-CB 4.22Å; K150-W153 HydrophobicContact CG-CD2 4.45Å; K150-W153 HydrophobicContact CG-CE3 3.98Å; K150-W153 WeakPolarHBondContact O-CZ3 3.28Å; N151-W153 PolarHBondContact O-N 3.07Å; W153-D156 PolarHBondContact NE1-O 2.84Å; W153-R157 HydrophobicContact CZ2-CB 3.95Å; W153-R157 HydrophobicContact CZ2-CG 3.64Å; W153-R157 PolarHBondContact O-NH2 2.87Å; W153-V167 HydrophobicContact CH2-CG1 4.06Å; W153-V167 HydrophobicContact CZ2-CG1 4.32Å; W153-C169 HydrophobicContact CD2-CB 4.07Å; W153-C169 HydrophobicContact CE3-CB 4.49Å; W153-C169 HydrophobicContact CH2-CB 4.24Å; W153-C169 HydrophobicContact CZ2-CB 3.78Å
154C69Low75Confident119 Ų11950.5 Ų50.580%0.80429%0.287SS*.SBendtrans-78.6148.1172.5-62.50000110.4
155G69Low74.6Confident20 Ų2059 Ų5921%0.20632%0.316CS..SBendtrans95.6-156.3175.500000115
156D71.9Confident74.1Confident31 Ų3160.1 Ų60.117%0.16632%0.322CS..  trans-63.7141-172.3-66.1-3.3000112.3W153 F158 P170 I185 T186 R187W153-D156 PolarHBondContact NE1-O 2.84Å; D156-F158 HydrophobicContact CB-CE2 4.04Å; D156-F158 HydrophobicContact CB-CZ 4.3Å; D156-P170 WeakPolarHBondContact O-CD 3.3Å; D156-P170 WeakPolarHBondContact O-CG 3.33Å; D156-I185 HydrophobicContact CB-CG2 3.78Å; D156-T186 CarbonylContact C-O 3.42Å; D156-T186 WeakPolarHBondContact CA-O 2.97Å; D156-R187 WeakPolarHBondContact OD1-CD 3.42Å; D156-R187 VanDerWaalsContact OD1-CG 3.23Å; D156-R187 WeakPolarHBondContact OD1-CG 3.23Å; D156-R187 IonicContact OD1-CZ 2.74Å; D156-R187 IonicContact OD1-NE 3.38Å; D156-R187 PolarHBondContact OD1-NE 3.03Å; D156-R187 IonicContact OD1-NH2 3.48Å; D156-R187 IonicContact OD2-NE 3.9Å; D156-R187 IonicContact OD2-NH2 3.73Å
157R74.3Confident73.7Confident6 Ų657.2 Ų57.22%0.02331%0.307CS..EExtended strand (participates in β ladder)trans-124.9151.3167.9-44.7174.2155.478.6-4.6108.7L143 W153 V167 I185 T186 N189L143-R157 VanDerWaalsContact CD1-CD 3.44Å; W153-R157 HydrophobicContact CZ2-CB 3.95Å; W153-R157 HydrophobicContact CZ2-CG 3.64Å; W153-R157 PolarHBondContact O-NH2 2.87Å; R157-V167 HydrophobicContact CB-CG1 4.09Å; R157-I185 CarbonylContact O-C 3.29Å; R157-I185 WeakPolarHBondContact O-CA 3.26Å; R157-T186 WeakPolarHBondContact CB-OG1 3.4Å; R157-T186 PolarHBondContact N-O 2.72Å; R157-T186 PolarHBondContact O-N 2.94Å; R157-N189 VanDerWaalsContact NH1-N 3.12Å; R157-N189 PolarHBondContact NH1-OD1 3.06Å; R157-N189 PolarHBondContact NH2-OD1 3.25Å
158F75.4Confident73.3Confident5 Ų553.4 Ų53.42%0.02229%0.288CS..EExtended strand (participates in β ladder)trans-118.7108.3-174.6-62.4-98000107.1V14 D156 V167 L168 P170 F173 M183 L184 I185V14-F158 HydrophobicContact CG2-CE1 3.26Å; V14-F158 HydrophobicContact CG2-CZ 3.49Å; V14-F158 VanDerWaalsContact CG2-CZ 3.49Å; D156-F158 HydrophobicContact CB-CE2 4.04Å; D156-F158 HydrophobicContact CB-CZ 4.3Å; F158-V167 CarbonylContact O-C 3.39Å; F158-V167 VanDerWaalsContact O-CA 3.24Å; F158-V167 WeakPolarHBondContact O-CA 3.05Å; F158-L168 HydrophobicContact CB-CB 4.08Å; F158-L168 WeakPolarHBondContact CD2-O 3.11Å; F158-L168 PolarHBondContact N-O 3.44Å; F158-L168 PolarHBondContact O-N 3.38Å; F158-P170 HydrophobicContact CE2-CB 4.06Å; F158-P170 HydrophobicContact CE2-CG 4.02Å; F158-F173 HydrophobicContact CB-CB 4.23Å; F158-F173 HydrophobicContact CB-CD2 4Å; F158-F173 HydrophobicContact CB-CG 4.21Å; F158-F173 HydrophobicContact CD1-CB 3.93Å; F158-F173 AromaticContact CD1-CD1 3.47Å; F158-F173 HydrophobicContact CD1-CD1 3.47Å; F158-F173 VanDerWaalsContact CD1-CD1 3.47Å; F158-F173 AromaticContact CD1-CD2 3.43Å; F158-F173 HydrophobicContact CD1-CD2 3.43Å; F158-F173 VanDerWaalsContact CD1-CD2 3.43Å; F158-F173 AromaticContact CD1-CE1 3.75Å; F158-F173 HydrophobicContact CD1-CE1 3.75Å; F158-F173 AromaticContact CD1-CE2 3.72Å; F158-F173 HydrophobicContact CD1-CE2 3.72Å; F158-F173 AromaticContact CD1-CG 3.29Å; F158-F173 HydrophobicContact CD1-CG 3.29Å; F158-F173 AromaticContact CD1-CZ 3.86Å; F158-F173 HydrophobicContact CD1-CZ 3.86Å; F158-F173 HydrophobicContact CD2-CB 3.73Å; F158-F173 HydrophobicContact CD2-CD1 4.46Å; F158-F173 HydrophobicContact CD2-CG 4.05Å; F158-F173 HydrophobicContact CE1-CB 4.17Å; F158-F173 AromaticContact CE1-CD1 3.13Å; F158-F173 HydrophobicContact CE1-CD1 3.13Å; F158-F173 HydrophobicContact CE1-CD2 4.02Å; F158-F173 AromaticContact CE1-CE1 3.35Å; F158-F173 HydrophobicContact CE1-CE1 3.35Å; F158-F173 HydrophobicContact CE1-CE2 4.2Å; F158-F173 AromaticContact CE1-CG 3.49Å; F158-F173 HydrophobicContact CE1-CG 3.49Å; F158-F173 VanDerWaalsContact CE1-CG 3.49Å; F158-F173 AromaticContact CE1-CZ 3.89Å; F158-F173 HydrophobicContact CE1-CZ 3.89Å; F158-F173 HydrophobicContact CE2-CB 4.08Å; F158-F173 HydrophobicContact CE2-CD1 4.26Å; F158-F173 HydrophobicContact CE2-CG 4.29Å; F158-F173 HydrophobicContact CG-CB 3.67Å; F158-F173 HydrophobicContact CG-CD1 4.12Å; F158-F173 AromaticContact CG-CD2 3.79Å; F158-F173 HydrophobicContact CG-CD2 3.79Å; F158-F173 HydrophobicContact CG-CE2 4.48Å; F158-F173 AromaticContact CG-CG 3.57Å; F158-F173 HydrophobicContact CG-CG 3.57Å; F158-F173 HydrophobicContact CZ-CB 4.27Å; F158-F173 AromaticContact CZ-CD1 3.6Å; F158-F173 HydrophobicContact CZ-CD1 3.6Å; F158-F173 HydrophobicContact CZ-CE1 4.16Å; F158-F173 HydrophobicContact CZ-CG 4.02Å; F158-M183 HydrophobicContact CB-CB 4.25Å; F158-M183 HydrophobicContact CB-CE 3.72Å; F158-M183 WeakPolarHBondContact O-CE 3.46Å; F158-L184 CarbonylContact C-O 3.47Å; F158-L184 VanDerWaalsContact CA-O 3.31Å; F158-L184 WeakPolarHBondContact CA-O 2.86Å; F158-I185 HydrophobicContact CD1-CD1 3.83Å; F158-I185 HydrophobicContact CD1-CG1 3.61Å; F158-I185 HydrophobicContact CE1-CD1 3.19Å; F158-I185 HydrophobicContact CE1-CG1 3.53Å; F158-I185 HydrophobicContact CG-CG1 4.38Å; F158-I185 HydrophobicContact CZ-CD1 3.67Å; F158-I185 HydrophobicContact CZ-CG1 4.2Å
159T71.5Confident73Confident6 Ų650.4 Ų50.44%0.03727%0.268CS..EExtended strand (participates in β ladder)trans-107.6128-178.7-55.20000110.3V161 V166 V167 M183 L184 L197T159-V161 PolarHBondContact O-N 2.84Å; T159-V166 WeakPolarHBondContact CA-O 3.46Å; T159-V167 HydrophobicContact CG2-CG2 4.18Å; T159-M183 CarbonylContact O-C 2.95Å; T159-M183 VanDerWaalsContact O-CA 3.3Å; T159-M183 WeakPolarHBondContact O-CA 3.25Å; T159-L184 PolarHBondContact N-O 2.82Å; T159-L184 PolarHBondContact O-N 3.3Å; T159-L197 HydrophobicContact CG2-CD1 3.52Å; T159-L197 HydrophobicContact CG2-CD2 4.35Å
160C70.1Confident72.6Confident0 Ų046.3 Ų46.30%025%0.248CC..EExtended strand (participates in β ladder)trans-67.8131.3179178.40000111.6I162 C163 V166 H178 H181 P182 M183C160-I162 VanDerWaalsContact C-N 3.3Å; C160-I162 PolarHBondContact O-N 3.49Å; C160-I162 PolarHBondContact SG-N 3.34Å; C160-C163 HydrophobicContact CB-CB 4.04Å; C160-C163 WeakPolarHBondContact CB-O 3.24Å; C160-C163 PolarHBondContact SG-N 2.86Å; C160-V166 HydrophobicContact CB-CB 3.9Å; C160-V166 HydrophobicContact CB-CG1 4.32Å; C160-V166 PolarHBondContact N-O 2.72Å; C160-H178 WeakPolarHBondContact CB-NE2 3.38Å; C160-H178 PolarHBondContact SG-NE2 2.93Å; C160-H181 WeakPolarHBondContact SG-CB 3.06Å; C160-P182 CarbonylContact C-O 3.54Å; C160-P182 WeakPolarHBondContact CA-O 3.34Å; C160-M183 VanDerWaalsContact CA-SD 3.54Å; C160-M183 HydrophobicContact CB-CE 4.17Å; C160-M183 HydrophobicContact CB-SD 3.61Å
161V61.7Low72.5Confident8 Ų846 Ų465%0.04825%0.25CC..SBendtrans-66.5-32.5175.6178.40000111.7Y105 T159 P182 L184 L197 V200 K201Y105-V161 HydrophobicContact CD2-CG2 4.39Å; T159-V161 PolarHBondContact O-N 2.84Å; V161-P182 HydrophobicContact CB-CB 4.11Å; V161-P182 HydrophobicContact CB-CG 4.13Å; V161-P182 HydrophobicContact CG2-CB 3.89Å; V161-P182 HydrophobicContact CG2-CG 4.43Å; V161-P182 PolarHBondContact N-O 2.98Å; V161-L184 HydrophobicContact CG2-CD1 4.27Å; V161-L184 HydrophobicContact CG2-CD2 4.28Å; V161-L184 HydrophobicContact CG2-CG 3.74Å; V161-L197 HydrophobicContact CG2-CD2 4.23Å; V161-V200 HydrophobicContact CG1-CB 4.48Å; V161-V200 HydrophobicContact CG1-CG1 3.73Å; V161-V200 HydrophobicContact CG2-CG1 4.32Å; V161-K201 HydrophobicContact CG1-CB 4.46Å
162I54.8Low72.7Confident45 Ų4542 Ų4223%0.23123%0.229CC..SBendtrans-94.7-35-175-56.3-59.3000112.6L101 C160 P164 H181 P182L101-I162 HydrophobicContact CD1-CD1 3.62Å; L101-I162 HydrophobicContact CD1-CG1 3.5Å; C160-I162 VanDerWaalsContact C-N 3.3Å; C160-I162 PolarHBondContact O-N 3.49Å; C160-I162 PolarHBondContact SG-N 3.34Å; I162-P164 VanDerWaalsContact O-CD 3.31Å; I162-P164 WeakPolarHBondContact O-CD 2.93Å; I162-H181 HydrophobicContact CB-CB 4.16Å; I162-H181 HydrophobicContact CG1-CB 4.21Å; I162-P182 HydrophobicContact CG1-CG 4.47Å
163C65.7Low72.9Confident37 Ų3735.7 Ų35.725%0.2520%0.195CC..  trans-112.986.5179.3-63.20000109C160 R165 V166 H181C160-C163 HydrophobicContact CB-CB 4.04Å; C160-C163 WeakPolarHBondContact CB-O 3.24Å; C160-C163 PolarHBondContact SG-N 2.86Å; C163-R165 PolarHBondContact O-N 3.42Å; C163-V166 HydrophobicContact CB-CB 4.01Å; C163-V166 HydrophobicContact CB-CG2 3.61Å; C163-V166 PolarHBondContact O-N 3.39Å; C163-H181 PolarHBondContact SG-CE1 3.35Å; C163-H181 PolarHBondContact SG-ND1 3.01Å
164P59.9Low72.8Confident74 Ų7442 Ų4248%0.48122%0.223SC..THydrogen-bonded Turntrans-58.1-21.3-173.6-24.332.6000114.4I162 V166I162-P164 VanDerWaalsContact O-CD 3.31Å; I162-P164 WeakPolarHBondContact O-CD 2.93Å; P164-V166 VanDerWaalsContact C-N 3.33Å
165R68.7Low73.2Confident220 Ų22043.4 Ų43.483%0.8322%0.215SC*.THydrogen-bonded Turntrans-81.1-10.7177.1-64.7-176.3176.1177.7-2.3113.7N146 C163N146-R165 VanDerWaalsContact CG-O 3.27Å; N146-R165 PolarHBondContact ND2-O 3.46Å; N146-R165 PolarHBondContact OD1-O 3.49Å; C163-R165 PolarHBondContact O-N 3.42Å
166V74.3Confident73.2Confident24 Ų2446.1 Ų46.115%0.14523%0.225CC..  trans-95.8106.8-177.6-179.70000109.8N146 T159 C160 C163 P164 L168 H178N146-V166 VanDerWaalsContact OD1-CA 3.29Å; N146-V166 WeakPolarHBondContact OD1-CA 3.29Å; T159-V166 WeakPolarHBondContact CA-O 3.46Å; C160-V166 HydrophobicContact CB-CB 3.9Å; C160-V166 HydrophobicContact CB-CG1 4.32Å; C160-V166 PolarHBondContact N-O 2.72Å; C163-V166 HydrophobicContact CB-CB 4.01Å; C163-V166 HydrophobicContact CB-CG2 3.61Å; C163-V166 PolarHBondContact O-N 3.39Å; P164-V166 VanDerWaalsContact C-N 3.33Å; V166-L168 HydrophobicContact CG1-CD2 4.11Å; V166-L168 HydrophobicContact CG1-CG 4.36Å; V166-H178 HydrophobicContact CG1-CB 4.09Å
167V78.5Confident73.5Confident12 Ų1248.1 Ų48.17%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-114.9133.4169.4-1750000108.1L143 C145 N146 W153 R157 F158 T159L143-V167 HydrophobicContact CB-CG1 4.42Å; L143-V167 HydrophobicContact CD2-CG1 4.29Å; L143-V167 HydrophobicContact CD2-CG2 3.96Å; C145-V167 CarbonylContact C-O 3.52Å; C145-V167 VanDerWaalsContact CA-O 3.25Å; C145-V167 WeakPolarHBondContact CA-O 3.22Å; N146-V167 PolarHBondContact N-O 3.47Å; N146-V167 PolarHBondContact OD1-N 2.8Å; N146-V167 PolarHBondContact OD1-O 2.79Å; W153-V167 HydrophobicContact CH2-CG1 4.06Å; W153-V167 HydrophobicContact CZ2-CG1 4.32Å; R157-V167 HydrophobicContact CB-CG1 4.09Å; F158-V167 CarbonylContact O-C 3.39Å; F158-V167 VanDerWaalsContact O-CA 3.24Å; F158-V167 WeakPolarHBondContact O-CA 3.05Å; T159-V167 HydrophobicContact CG2-CG2 4.18Å
168L80.6Confident73.4Confident0 Ų050.1 Ų50.10%024%0.243CC..EExtended strand (participates in β ladder)trans-116.8145174.4-48.9174.6000109.9I147 F158 V166 C172 F173 H177 H178 M183I147-L168 HydrophobicContact CD1-CD2 4.43Å; I147-L168 HydrophobicContact CG1-CD2 3.53Å; F158-L168 HydrophobicContact CB-CB 4.08Å; F158-L168 WeakPolarHBondContact CD2-O 3.11Å; F158-L168 PolarHBondContact N-O 3.44Å; F158-L168 PolarHBondContact O-N 3.38Å; V166-L168 HydrophobicContact CG1-CD2 4.11Å; V166-L168 HydrophobicContact CG1-CG 4.36Å; L168-C172 HydrophobicContact CB-CB 4.21Å; L168-C172 HydrophobicContact CD2-CB 4.38Å; L168-F173 HydrophobicContact CB-CB 4.24Å; L168-F173 HydrophobicContact CD1-CB 4.32Å; L168-F173 HydrophobicContact CD1-CD2 4.36Å; L168-H177 HydrophobicContact CD1-CB 4.5Å; L168-H177 WeakPolarHBondContact CD1-O 3.31Å; L168-H178 HydrophobicContact CD1-CB 4.13Å; L168-M183 HydrophobicContact CB-CE 4.42Å; L168-M183 HydrophobicContact CD1-CE 3.75Å; L168-M183 HydrophobicContact CG-CE 3.78Å
169C84.4Confident72.9Confident0 Ų052.7 Ų52.70%026%0.261CS..  trans-76.3166.6163.273.70000109.9C145 K150 W153 D171 C172 F173C145-C169 HydrophobicContact CB-CB 3.95Å; C145-C169 PolarHBondContact SG-N 3.36Å; C145-C169 VanDerWaalsContact SG-N 3.36Å; K150-C169 HydrophobicContact CD-CB 4.22Å; W153-C169 HydrophobicContact CD2-CB 4.07Å; W153-C169 HydrophobicContact CE3-CB 4.49Å; W153-C169 HydrophobicContact CH2-CB 4.24Å; W153-C169 HydrophobicContact CZ2-CB 3.78Å; C169-D171 PolarHBondContact O-N 3.38Å; C169-C172 PolarHBondContact O-N 2.98Å; C169-C172 VanDerWaalsContact O-N 3.16Å; C169-C172 PolarHBondContact SG-N 2.82Å; C169-C172 VanDerWaalsContact SG-N 3.42Å; C169-F173 WeakPolarHBondContact O-CB 3.29Å; C169-F173 PolarHBondContact O-N 2.91Å
170P79.4Confident72.3Confident30 Ų3057.5 Ų57.520%0.19528%0.283CS..Hα-helixtrans-54.6-37.8178.4-2532.9000113.5D156 F158 K174D156-P170 WeakPolarHBondContact O-CD 3.3Å; D156-P170 WeakPolarHBondContact O-CG 3.33Å; F158-P170 HydrophobicContact CE2-CB 4.06Å; F158-P170 HydrophobicContact CE2-CG 4.02Å; P170-K174 VanDerWaalsContact O-CB 3.3Å; P170-K174 WeakPolarHBondContact O-CB 3.14Å; P170-K174 WeakPolarHBondContact O-CG 3.21Å; P170-K174 PolarHBondContact O-N 3.22Å
171D83.7Confident71.9Confident82 Ų8259.2 Ų59.244%0.43929%0.291SS..Hα-helixtrans-68.6-40.8-178.7-56.7-42.8000111.7K150 C169 K175K150-D171 IonicContact NZ-OD2 3.76Å; C169-D171 PolarHBondContact O-N 3.38Å; D171-K175 VanDerWaalsContact O-CG 3.26Å; D171-K175 WeakPolarHBondContact O-CG 3.44Å; D171-K175 PolarHBondContact O-N 3.48Å
172C84.9Confident71.6Confident6 Ų659.1 Ų59.14%0.04129%0.29CS..Hα-helixtrans-75.1-36.1179.2-72.40000112.2C145 I147 L168 C169 K175 H177C145-C172 VanDerWaalsContact SG-CB 3.6Å; I147-C172 HydrophobicContact CB-CB 4.12Å; I147-C172 HydrophobicContact CG1-CB 4.35Å; L168-C172 HydrophobicContact CB-CB 4.21Å; L168-C172 HydrophobicContact CD2-CB 4.38Å; C169-C172 PolarHBondContact O-N 2.98Å; C169-C172 VanDerWaalsContact O-N 3.16Å; C169-C172 PolarHBondContact SG-N 2.82Å; C169-C172 VanDerWaalsContact SG-N 3.42Å; C172-K175 PolarHBondContact O-N 3.41Å; C172-H177 WeakPolarHBondContact O-CB 3.32Å; C172-H177 PolarHBondContact O-CD2 3.4Å; C172-H177 VanDerWaalsContact O-CD2 3.27Å; C172-H177 PolarHBondContact O-N 3.4Å
173F76.6Confident72.2Confident12 Ų1257 Ų575%0.05328%0.28CS..Hα-helixtrans-62.2-48.6172179-103.3000111.3V14 F158 L168 C169 K175 N176 M183V14-F173 HydrophobicContact CG2-CD1 4.38Å; V14-F173 HydrophobicContact CG2-CE1 3.88Å; F158-F173 HydrophobicContact CB-CB 4.23Å; F158-F173 HydrophobicContact CB-CD2 4Å; F158-F173 HydrophobicContact CB-CG 4.21Å; F158-F173 HydrophobicContact CD1-CB 3.93Å; F158-F173 AromaticContact CD1-CD1 3.47Å; F158-F173 HydrophobicContact CD1-CD1 3.47Å; F158-F173 VanDerWaalsContact CD1-CD1 3.47Å; F158-F173 AromaticContact CD1-CD2 3.43Å; F158-F173 HydrophobicContact CD1-CD2 3.43Å; F158-F173 VanDerWaalsContact CD1-CD2 3.43Å; F158-F173 AromaticContact CD1-CE1 3.75Å; F158-F173 HydrophobicContact CD1-CE1 3.75Å; F158-F173 AromaticContact CD1-CE2 3.72Å; F158-F173 HydrophobicContact CD1-CE2 3.72Å; F158-F173 AromaticContact CD1-CG 3.29Å; F158-F173 HydrophobicContact CD1-CG 3.29Å; F158-F173 AromaticContact CD1-CZ 3.86Å; F158-F173 HydrophobicContact CD1-CZ 3.86Å; F158-F173 HydrophobicContact CD2-CB 3.73Å; F158-F173 HydrophobicContact CD2-CD1 4.46Å; F158-F173 HydrophobicContact CD2-CG 4.05Å; F158-F173 HydrophobicContact CE1-CB 4.17Å; F158-F173 AromaticContact CE1-CD1 3.13Å; F158-F173 HydrophobicContact CE1-CD1 3.13Å; F158-F173 HydrophobicContact CE1-CD2 4.02Å; F158-F173 AromaticContact CE1-CE1 3.35Å; F158-F173 HydrophobicContact CE1-CE1 3.35Å; F158-F173 HydrophobicContact CE1-CE2 4.2Å; F158-F173 AromaticContact CE1-CG 3.49Å; F158-F173 HydrophobicContact CE1-CG 3.49Å; F158-F173 VanDerWaalsContact CE1-CG 3.49Å; F158-F173 AromaticContact CE1-CZ 3.89Å; F158-F173 HydrophobicContact CE1-CZ 3.89Å; F158-F173 HydrophobicContact CE2-CB 4.08Å; F158-F173 HydrophobicContact CE2-CD1 4.26Å; F158-F173 HydrophobicContact CE2-CG 4.29Å; F158-F173 HydrophobicContact CG-CB 3.67Å; F158-F173 HydrophobicContact CG-CD1 4.12Å; F158-F173 AromaticContact CG-CD2 3.79Å; F158-F173 HydrophobicContact CG-CD2 3.79Å; F158-F173 HydrophobicContact CG-CE2 4.48Å; F158-F173 AromaticContact CG-CG 3.57Å; F158-F173 HydrophobicContact CG-CG 3.57Å; F158-F173 HydrophobicContact CZ-CB 4.27Å; F158-F173 AromaticContact CZ-CD1 3.6Å; F158-F173 HydrophobicContact CZ-CD1 3.6Å; F158-F173 HydrophobicContact CZ-CE1 4.16Å; F158-F173 HydrophobicContact CZ-CG 4.02Å; L168-F173 HydrophobicContact CB-CB 4.24Å; L168-F173 HydrophobicContact CD1-CB 4.32Å; L168-F173 HydrophobicContact CD1-CD2 4.36Å; C169-F173 WeakPolarHBondContact O-CB 3.29Å; C169-F173 PolarHBondContact O-N 2.91Å; F173-K175 PolarHBondContact O-N 2.89Å; F173-K175 VanDerWaalsContact O-N 3.16Å; F173-N176 PolarHBondContact O-N 2.98Å; F173-M183 HydrophobicContact CD2-CB 4.44Å; F173-M183 HydrophobicContact CD2-CG 4.03Å; F173-M183 HydrophobicContact CE2-CB 3.99Å; F173-M183 HydrophobicContact CE2-CG 3.74Å
174K74.3Confident72.3Confident146 Ų14655.4 Ų55.464%0.63527%0.268SS*.Hα-helixtrans-60-26.1177.2-76.5173.8-178.3-179.80114P170 N176P170-K174 VanDerWaalsContact O-CB 3.3Å; P170-K174 WeakPolarHBondContact O-CB 3.14Å; P170-K174 WeakPolarHBondContact O-CG 3.21Å; P170-K174 PolarHBondContact O-N 3.22Å; K174-N176 PolarHBondContact O-N 3.24Å
175K77.1Confident72.6Confident148 Ų14852.2 Ų52.264%0.64325%0.247SC*.THydrogen-bonded Turntrans-83.57.7175.6-73.2175-177.4-179.20113.4D171 C172 F173 H177D171-K175 VanDerWaalsContact O-CG 3.26Å; D171-K175 WeakPolarHBondContact O-CG 3.44Å; D171-K175 PolarHBondContact O-N 3.48Å; C172-K175 PolarHBondContact O-N 3.41Å; F173-K175 PolarHBondContact O-N 2.89Å; F173-K175 VanDerWaalsContact O-N 3.16Å; K175-H177 VanDerWaalsContact C-N 3.25Å; K175-H177 PolarHBondContact O-N 2.96Å
176N70.5Confident72.2Confident77 Ų7741.7 Ų41.741%0.41221%0.208SC..THydrogen-bonded Turntrans6029.9-178.6-61.7-39000114.1F173 K174 H178F173-N176 PolarHBondContact O-N 2.98Å; K174-N176 PolarHBondContact O-N 3.24Å; N176-H178 PolarHBondContact O-N 3.05Å
177H76.4Confident71.5Confident72 Ų7244.4 Ų44.433%0.33322%0.215SC..THydrogen-bonded Turntrans-69.2135.9167.6-64.2-66000109.2I147 L168 C172 K175 S179I147-H177 HydrophobicContact CD1-CB 3.93Å; I147-H177 HydrophobicContact CG1-CB 3.69Å; L168-H177 HydrophobicContact CD1-CB 4.5Å; L168-H177 WeakPolarHBondContact CD1-O 3.31Å; C172-H177 WeakPolarHBondContact O-CB 3.32Å; C172-H177 PolarHBondContact O-CD2 3.4Å; C172-H177 VanDerWaalsContact O-CD2 3.27Å; C172-H177 PolarHBondContact O-N 3.4Å; K175-H177 VanDerWaalsContact C-N 3.25Å; K175-H177 PolarHBondContact O-N 2.96Å; H177-S179 PolarHBondContact O-N 3.2Å
178H72.4Confident70.4Confident49 Ų4949.3 Ų49.323%0.22724%0.241CC..THydrogen-bonded Turntrans59.939.2-179.2-157.474.5000114.8C160 V166 L168 N176 E180 H181C160-H178 WeakPolarHBondContact CB-NE2 3.38Å; C160-H178 PolarHBondContact SG-NE2 2.93Å; V166-H178 HydrophobicContact CG1-CB 4.09Å; L168-H178 HydrophobicContact CD1-CB 4.13Å; N176-H178 PolarHBondContact O-N 3.05Å; H178-E180 PolarHBondContact O-N 3.48Å; H178-E180 VanDerWaalsContact O-N 3.16Å; H178-H181 AromaticContact CE1-ND1 3.25Å; H178-H181 PolarHBondContact CE1-ND1 2.87Å; H178-H181 AromaticContact NE2-CG 3.72Å; H178-H181 AromaticContact NE2-ND1 3.06Å; H178-H181 PolarHBondContact NE2-ND1 3.05Å
179S66.3Low68.9Low58 Ų5854.2 Ų54.241%0.40627%0.267SS..THydrogen-bonded Turntrans-70.3-4178.359.40000114.8H177 H181H177-S179 PolarHBondContact O-N 3.2Å; S179-H181 VanDerWaalsContact C-N 3.31Å
180E59.1Low67.2Low107 Ų10757 Ų5750%0.529%0.29SS..THydrogen-bonded Turntrans-82.3-8.6-177-56.7-150.7-140.900113.4L101 H178L101-E180 CarbonylContact C-O 3.4Å; L101-E180 WeakPolarHBondContact CA-O 3.04Å; L101-E180 PolarHBondContact N-O 3.16Å; L101-E180 CarbonylContact O-C 3.55Å; H178-E180 PolarHBondContact O-N 3.48Å; H178-E180 VanDerWaalsContact O-N 3.16Å
181H59.9Low65.6Low36 Ų3663.2 Ų63.217%0.16732%0.317CS..SBendtrans-131159.8178.9-61.8146.1000113.8L101 C160 I162 C163 H178 S179L101-H181 CarbonylContact O-C 3.56Å; L101-H181 VanDerWaalsContact O-C 3.29Å; L101-H181 WeakPolarHBondContact O-CA 3.33Å; L101-H181 PolarHBondContact O-N 3.16Å; C160-H181 WeakPolarHBondContact SG-CB 3.06Å; I162-H181 HydrophobicContact CB-CB 4.16Å; I162-H181 HydrophobicContact CG1-CB 4.21Å; C163-H181 PolarHBondContact SG-CE1 3.35Å; C163-H181 PolarHBondContact SG-ND1 3.01Å; H178-H181 AromaticContact CE1-ND1 3.25Å; H178-H181 PolarHBondContact CE1-ND1 2.87Å; H178-H181 AromaticContact NE2-CG 3.72Å; H178-H181 AromaticContact NE2-ND1 3.06Å; H178-H181 PolarHBondContact NE2-ND1 3.05Å; S179-H181 VanDerWaalsContact C-N 3.31Å
182P56.4Low64Low6 Ų661 Ų614%0.03930%0.303CS..  trans-68.9140.5173.2-2.321.7000109.5L101 Y105 C160 V161 I162L101-P182 VanDerWaalsContact CB-CD 3.43Å; L101-P182 HydrophobicContact CB-CG 3.74Å; L101-P182 HydrophobicContact CD1-CG 3.72Å; L101-P182 HydrophobicContact CD2-CG 3.67Å; L101-P182 HydrophobicContact CG-CG 3.9Å; Y105-P182 HydrophobicContact CD2-CB 4.28Å; C160-P182 CarbonylContact C-O 3.54Å; C160-P182 WeakPolarHBondContact CA-O 3.34Å; V161-P182 HydrophobicContact CB-CB 4.11Å; V161-P182 HydrophobicContact CB-CG 4.13Å; V161-P182 HydrophobicContact CG2-CB 3.89Å; V161-P182 HydrophobicContact CG2-CG 4.43Å; V161-P182 PolarHBondContact N-O 2.98Å; I162-P182 HydrophobicContact CG1-CG 4.47Å
183M67.5Low62.3Low2 Ų263.6 Ų63.61%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-112.9136.3175.4-55.3-60.5-69.300108.3Y105 F158 T159 C160 L168 F173Y105-M183 CarbonylContact C-O 3.51Å; Y105-M183 VanDerWaalsContact CB-O 3.26Å; Y105-M183 WeakPolarHBondContact CB-O 3.42Å; F158-M183 HydrophobicContact CB-CB 4.25Å; F158-M183 HydrophobicContact CB-CE 3.72Å; F158-M183 WeakPolarHBondContact O-CE 3.46Å; T159-M183 CarbonylContact O-C 2.95Å; T159-M183 VanDerWaalsContact O-CA 3.3Å; T159-M183 WeakPolarHBondContact O-CA 3.25Å; C160-M183 VanDerWaalsContact CA-SD 3.54Å; C160-M183 HydrophobicContact CB-CE 4.17Å; C160-M183 HydrophobicContact CB-SD 3.61Å; L168-M183 HydrophobicContact CB-CE 4.42Å; L168-M183 HydrophobicContact CD1-CE 3.75Å; L168-M183 HydrophobicContact CG-CE 3.78Å; F173-M183 HydrophobicContact CD2-CB 4.44Å; F173-M183 HydrophobicContact CD2-CG 4.03Å; F173-M183 HydrophobicContact CE2-CB 3.99Å; F173-M183 HydrophobicContact CE2-CG 3.74Å
184L66.9Low60.9Low2 Ų265 Ų651%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-94.6151.3164.1-67.5-178.3000109.5Y105 F158 T159 V161 F192 L197 V200Y105-L184 HydrophobicContact CD1-CD2 4.2Å; Y105-L184 HydrophobicContact CD2-CD2 3.75Å; Y105-L184 HydrophobicContact CE2-CD2 4.45Å; Y105-L184 HydrophobicContact CG-CD2 3.61Å; F158-L184 CarbonylContact C-O 3.47Å; F158-L184 VanDerWaalsContact CA-O 3.31Å; F158-L184 WeakPolarHBondContact CA-O 2.86Å; T159-L184 PolarHBondContact N-O 2.82Å; T159-L184 PolarHBondContact O-N 3.3Å; V161-L184 HydrophobicContact CG2-CD1 4.27Å; V161-L184 HydrophobicContact CG2-CD2 4.28Å; V161-L184 HydrophobicContact CG2-CG 3.74Å; L184-F192 HydrophobicContact CB-CE1 4.13Å; L184-F192 HydrophobicContact CD1-CE1 3.88Å; L184-L197 HydrophobicContact CB-CD2 4.32Å; L184-L197 HydrophobicContact CD1-CD2 3.42Å; L184-L197 VanDerWaalsContact CD1-CD2 3.42Å; L184-L197 HydrophobicContact CD1-CG 4.28Å; L184-L197 HydrophobicContact CG-CD2 3.98Å; L184-V200 HydrophobicContact CD1-CG2 4.17Å
185I67.1Low59.8Low7 Ų760.5 Ų60.54%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-98.6131.6173.3-65.6-174.3000112.2V14 D156 R157 F158 R187 F192V14-I185 HydrophobicContact CB-CD1 3.71Å; V14-I185 HydrophobicContact CG1-CD1 3Å; V14-I185 HydrophobicContact CG1-CG1 4.43Å; V14-I185 HydrophobicContact CG2-CD1 3.31Å; D156-I185 HydrophobicContact CB-CG2 3.78Å; R157-I185 CarbonylContact O-C 3.29Å; R157-I185 WeakPolarHBondContact O-CA 3.26Å; F158-I185 HydrophobicContact CD1-CD1 3.83Å; F158-I185 HydrophobicContact CD1-CG1 3.61Å; F158-I185 HydrophobicContact CE1-CD1 3.19Å; F158-I185 HydrophobicContact CE1-CG1 3.53Å; F158-I185 HydrophobicContact CG-CG1 4.38Å; F158-I185 HydrophobicContact CZ-CD1 3.67Å; F158-I185 HydrophobicContact CZ-CG1 4.2Å; I185-R187 HydrophobicContact CG2-CG 4.42Å; I185-F192 WeakPolarHBondContact O-CE2 3.29Å; I185-F192 WeakPolarHBondContact O-CZ 3.47Å
186T61.1Low58.5Low0 Ų055.7 Ų55.70%030%0.299CS..EExtended strand (participates in β ladder)trans-119.9120.2178.4880000107.9D156 R157 F192D156-T186 CarbonylContact C-O 3.42Å; D156-T186 WeakPolarHBondContact CA-O 2.97Å; R157-T186 WeakPolarHBondContact CB-OG1 3.4Å; R157-T186 PolarHBondContact N-O 2.72Å; R157-T186 PolarHBondContact O-N 2.94Å; T186-F192 HydrophobicContact CG2-CB 3.4Å; T186-F192 VanDerWaalsContact CG2-CB 3.4Å; T186-F192 HydrophobicContact CG2-CD1 3.68Å; T186-F192 HydrophobicContact CG2-CD2 3.23Å; T186-F192 HydrophobicContact CG2-CE1 4.06Å; T186-F192 HydrophobicContact CG2-CE2 3.62Å; T186-F192 HydrophobicContact CG2-CG 3.15Å; T186-F192 HydrophobicContact CG2-CZ 3.96Å
187R59.2Low57.6Low80 Ų8052.4 Ų52.430%0.30228%0.282SS..  trans-94.7151.1-179.5-63.7-152.3159.4175.5-0.9111.4E15 D156 I185 N189 A190E15-R187 IonicContact OE1-NH2 3.83Å; E15-R187 PolarHBondContact OE1-NH2 2.79Å; D156-R187 WeakPolarHBondContact OD1-CD 3.42Å; D156-R187 VanDerWaalsContact OD1-CG 3.23Å; D156-R187 WeakPolarHBondContact OD1-CG 3.23Å; D156-R187 IonicContact OD1-CZ 2.74Å; D156-R187 IonicContact OD1-NE 3.38Å; D156-R187 PolarHBondContact OD1-NE 3.03Å; D156-R187 IonicContact OD1-NH2 3.48Å; D156-R187 IonicContact OD2-NE 3.9Å; D156-R187 IonicContact OD2-NH2 3.73Å; I185-R187 HydrophobicContact CG2-CG 4.42Å; R187-N189 VanDerWaalsContact C-N 3.33Å; R187-N189 PolarHBondContact O-N 3.15Å; R187-N189 VanDerWaalsContact O-N 3.07Å; R187-A190 WeakPolarHBondContact O-CB 3.19Å; R187-A190 PolarHBondContact O-N 2.68Å
188D55Low56.4Low116 Ų11651.3 Ų51.362%0.6228%0.277SS*.THydrogen-bonded Turntrans49.843.5155.4-63.4-25.8000116.5A190D188-A190 PolarHBondContact O-N 2.78Å
189N47.9Very low55.7Low103 Ų10349 Ų4955%0.55127%0.267SS*.THydrogen-bonded Turntrans59.614.8178.1-51.8-20.3000113.6R157 R187 E191R157-N189 VanDerWaalsContact NH1-N 3.12Å; R157-N189 PolarHBondContact NH1-OD1 3.06Å; R157-N189 PolarHBondContact NH2-OD1 3.25Å; R187-N189 VanDerWaalsContact C-N 3.33Å; R187-N189 PolarHBondContact O-N 3.15Å; R187-N189 VanDerWaalsContact O-N 3.07Å; N189-E191 PolarHBondContact O-N 3.24Å
190A48.7Very low55.1Low57 Ų5746.3 Ų46.347%0.47125%0.247SC..  trans-59.2113.6166.100000106.4R187 D188 F192R187-A190 WeakPolarHBondContact O-CB 3.19Å; R187-A190 PolarHBondContact O-N 2.68Å; D188-A190 PolarHBondContact O-N 2.78Å; A190-F192 PolarHBondContact O-N 3.12Å
191E46.5Very low54.7Low162 Ų16245.1 Ų45.176%0.75724%0.241SC*.  trans-52.4106.6175.5-73-178.4170.300107.2N189 P193N189-E191 PolarHBondContact O-N 3.24Å; E191-P193 WeakPolarHBondContact O-CD 3.44Å
192F49.7Very low54.4Low35 Ų3546.3 Ų46.315%0.15425%0.248CC..  trans-85.3109174.8-125.9-101.2000107P110 L184 I185 T186 A190P110-F192 HydrophobicContact CG-CE1 3.98Å; P110-F192 HydrophobicContact CG-CE2 3.54Å; P110-F192 HydrophobicContact CG-CZ 3.14Å; L184-F192 HydrophobicContact CB-CE1 4.13Å; L184-F192 HydrophobicContact CD1-CE1 3.88Å; I185-F192 WeakPolarHBondContact O-CE2 3.29Å; I185-F192 WeakPolarHBondContact O-CZ 3.47Å; T186-F192 HydrophobicContact CG2-CB 3.4Å; T186-F192 VanDerWaalsContact CG2-CB 3.4Å; T186-F192 HydrophobicContact CG2-CD1 3.68Å; T186-F192 HydrophobicContact CG2-CD2 3.23Å; T186-F192 HydrophobicContact CG2-CE1 4.06Å; T186-F192 HydrophobicContact CG2-CE2 3.62Å; T186-F192 HydrophobicContact CG2-CG 3.15Å; T186-F192 HydrophobicContact CG2-CZ 3.96Å; A190-F192 PolarHBondContact O-N 3.12Å
193P49Very low54.3Low61 Ų6146.3 Ų46.340%0.39625%0.247SC..  trans-80136.3-167.6-12.331.1000109E191 P195 V196 L197E191-P193 WeakPolarHBondContact O-CD 3.44Å; P193-P195 HydrophobicContact CB-CB 4.23Å; P193-P195 VanDerWaalsContact CB-CD 3.48Å; P193-P195 HydrophobicContact CB-CG 3.89Å; P193-V196 PolarHBondContact O-N 3.33Å; P193-L197 PolarHBondContact O-N 2.93Å
194C49.1Very low53.6Low42 Ų4247.6 Ų47.628%0.28426%0.258SS..Hα-helixtrans-36.2-39.6161.7-163.90000112.7V196 L197 Q198C194-V196 PolarHBondContact O-N 2.82Å; C194-L197 PolarHBondContact O-N 3.48Å; C194-Q198 VanDerWaalsContact O-CB 3.27Å; C194-Q198 WeakPolarHBondContact O-CB 3.39Å; C194-Q198 WeakPolarHBondContact O-CG 3.27Å; C194-Q198 PolarHBondContact O-N 3.16Å; C194-Q198 PolarHBondContact SG-NE2 3.32Å
195P49.6Very low52.8Low50 Ų5049.7 Ų49.733%0.32527%0.273SS..Hα-helixtrans-49.2-49.6169.4-32.431.1000116.5F126 P193 Q198 A199F126-P195 HydrophobicContact CE1-CB 4.48Å; F126-P195 WeakPolarHBondContact CE1-O 3.01Å; F126-P195 HydrophobicContact CE2-CB 3.93Å; F126-P195 HydrophobicContact CZ-CB 3.67Å; F126-P195 VanDerWaalsContact CZ-O 3.31Å; F126-P195 WeakPolarHBondContact CZ-O 3.4Å; P193-P195 HydrophobicContact CB-CB 4.23Å; P193-P195 VanDerWaalsContact CB-CD 3.48Å; P193-P195 HydrophobicContact CB-CG 3.89Å; P195-Q198 PolarHBondContact O-N 2.79Å; P195-A199 WeakPolarHBondContact O-CB 3.16Å; P195-A199 PolarHBondContact O-N 2.94Å
196V49.8Very low52.3Low48 Ų4854.3 Ų54.329%0.29130%0.298SS..Hα-helixtrans-68.7-40.4-177.4177.60000110.3P193 C194 A199 V200P193-V196 PolarHBondContact O-N 3.33Å; C194-V196 PolarHBondContact O-N 2.82Å; V196-A199 PolarHBondContact O-N 2.84Å; V196-V200 HydrophobicContact CG1-CG2 4.24Å; V196-V200 WeakPolarHBondContact O-CB 3.48Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 2.83Å
197L52.7Low51.8Low8 Ų855.4 Ų55.44%0.04230%0.304CS..Hα-helixtrans-64.8-42.8175.8-72.3162.7000112T159 V161 L184 P193 C194 A199 V200 K201T159-L197 HydrophobicContact CG2-CD1 3.52Å; T159-L197 HydrophobicContact CG2-CD2 4.35Å; V161-L197 HydrophobicContact CG2-CD2 4.23Å; L184-L197 HydrophobicContact CB-CD2 4.32Å; L184-L197 HydrophobicContact CD1-CD2 3.42Å; L184-L197 VanDerWaalsContact CD1-CD2 3.42Å; L184-L197 HydrophobicContact CD1-CG 4.28Å; L184-L197 HydrophobicContact CG-CD2 3.98Å; P193-L197 PolarHBondContact O-N 2.93Å; C194-L197 PolarHBondContact O-N 3.48Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-V200 PolarHBondContact O-N 2.96Å; L197-K201 WeakPolarHBondContact O-CB 3.47Å; L197-K201 PolarHBondContact O-N 3.09Å
198Q51.1Low51.3Low49 Ų4958.3 Ų58.323%0.22932%0.324CS..Hα-helixtrans-63.6-43.5175.6-75.6176.86.700110.9F126 C194 P195 K201 I202F126-Q198 HydrophobicContact CD1-CB 3.84Å; F126-Q198 HydrophobicContact CE1-CB 3.52Å; C194-Q198 VanDerWaalsContact O-CB 3.27Å; C194-Q198 WeakPolarHBondContact O-CB 3.39Å; C194-Q198 WeakPolarHBondContact O-CG 3.27Å; C194-Q198 PolarHBondContact O-N 3.16Å; C194-Q198 PolarHBondContact SG-NE2 3.32Å; P195-Q198 PolarHBondContact O-N 2.79Å; Q198-K201 WeakPolarHBondContact O-CB 3.31Å; Q198-K201 PolarHBondContact O-N 3.05Å; Q198-I202 VanDerWaalsContact O-CG1 3.28Å; Q198-I202 WeakPolarHBondContact O-CG1 3.16Å; Q198-I202 PolarHBondContact O-N 3.25Å
199A56.1Low50.7Low1 Ų155.1 Ų55.11%0.00831%0.309CS..Hα-helixtrans-67.5-40.6179.100000111.8A121 A124 F126 P195 V196 L197 K201 I202 V203A121-A199 HydrophobicContact CB-CB 3.5Å; A121-A199 VanDerWaalsContact O-CB 3.23Å; A121-A199 WeakPolarHBondContact O-CB 3.39Å; A124-A199 HydrophobicContact CB-CB 4.09Å; F126-A199 HydrophobicContact CE1-CB 4.23Å; F126-A199 HydrophobicContact CZ-CB 4.24Å; P195-A199 WeakPolarHBondContact O-CB 3.16Å; P195-A199 PolarHBondContact O-N 2.94Å; V196-A199 PolarHBondContact O-N 2.84Å; L197-A199 VanDerWaalsContact C-N 3.34Å; A199-K201 VanDerWaalsContact C-N 3.28Å; A199-K201 PolarHBondContact O-N 2.77Å; A199-I202 PolarHBondContact O-N 3.08Å; A199-V203 WeakPolarHBondContact O-CB 3.32Å; A199-V203 VanDerWaalsContact O-CG2 3.26Å; A199-V203 WeakPolarHBondContact O-CG2 3.28Å; A199-V203 PolarHBondContact O-N 3.27Å
200V53.8Low50.3Low1 Ų158.8 Ų58.81%0.00632%0.323CS..Hα-helixtrans-58.5-42.7171.3166.40000110.7Y105 F117 V161 L184 V196 L197 A204Y105-V200 HydrophobicContact CE2-CG1 3.94Å; F117-V200 HydrophobicContact CE1-CB 4.29Å; F117-V200 HydrophobicContact CE1-CG2 3.53Å; F117-V200 HydrophobicContact CZ-CB 3.86Å; F117-V200 HydrophobicContact CZ-CG1 3.96Å; F117-V200 HydrophobicContact CZ-CG2 3.58Å; V161-V200 HydrophobicContact CG1-CB 4.48Å; V161-V200 HydrophobicContact CG1-CG1 3.73Å; V161-V200 HydrophobicContact CG2-CG1 4.32Å; L184-V200 HydrophobicContact CD1-CG2 4.17Å; V196-V200 HydrophobicContact CG1-CG2 4.24Å; V196-V200 WeakPolarHBondContact O-CB 3.48Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 2.83Å; L197-V200 PolarHBondContact O-N 2.96Å; V200-A204 WeakPolarHBondContact O-CB 3.01Å; V200-A204 PolarHBondContact O-N 2.91Å
201K51.6Low49.8Very low82 Ų8263.3 Ų63.336%0.35734%0.339SS..Hα-helixtrans-63.1-41.8177.9-173.9176179.4176.50112.1L96 V161 L197 Q198 A199 S205L96-K201 VanDerWaalsContact CD2-CE 3.48Å; L96-K201 HydrophobicContact CD2-CG 4.25Å; V161-K201 HydrophobicContact CG1-CB 4.46Å; L197-K201 WeakPolarHBondContact O-CB 3.47Å; L197-K201 PolarHBondContact O-N 3.09Å; Q198-K201 WeakPolarHBondContact O-CB 3.31Å; Q198-K201 PolarHBondContact O-N 3.05Å; A199-K201 VanDerWaalsContact C-N 3.28Å; A199-K201 PolarHBondContact O-N 2.77Å; K201-S205 WeakPolarHBondContact O-CB 3.21Å; K201-S205 PolarHBondContact O-N 3.15Å; K201-S205 VanDerWaalsContact O-N 3.17Å; K201-S205 PolarHBondContact O-OG 3.19Å
202I53.6Low49.4Very low61 Ų6159 Ų5931%0.31333%0.327SS..Hα-helixtrans-68.4-50.1177.3-66.1162.5000110.6A124 Q198 A199 A204 S205 D206A124-I202 HydrophobicContact CB-CD1 4.06Å; Q198-I202 VanDerWaalsContact O-CG1 3.28Å; Q198-I202 WeakPolarHBondContact O-CG1 3.16Å; Q198-I202 PolarHBondContact O-N 3.25Å; A199-I202 PolarHBondContact O-N 3.08Å; I202-A204 VanDerWaalsContact C-N 3.33Å; I202-A204 PolarHBondContact O-N 2.79Å; I202-S205 PolarHBondContact O-N 3.17Å; I202-S205 VanDerWaalsContact O-N 3.15Å; I202-S205 PolarHBondContact O-OG 3.23Å; I202-D206 WeakPolarHBondContact O-CB 3.43Å; I202-D206 PolarHBondContact O-N 2.96Å
203V54.6Low48.8Very low6 Ų663.2 Ų63.24%0.03636%0.356CS..Hα-helixtrans-66-38-177.1178.60000111.3F117 R120 A121 A199 S205 D206 V207F117-V203 HydrophobicContact CD2-CB 4.07Å; F117-V203 HydrophobicContact CD2-CG1 3.31Å; F117-V203 HydrophobicContact CE2-CB 3.72Å; F117-V203 HydrophobicContact CE2-CG1 3.44Å; F117-V203 VanDerWaalsContact CE2-CG1 3.44Å; F117-V203 HydrophobicContact CG-CG1 4.1Å; F117-V203 HydrophobicContact CZ-CB 4.16Å; F117-V203 HydrophobicContact CZ-CG1 4.3Å; R120-V203 HydrophobicContact CB-CG1 4.37Å; R120-V203 HydrophobicContact CB-CG2 3.67Å; A121-V203 HydrophobicContact CB-CG2 4.41Å; A199-V203 WeakPolarHBondContact O-CB 3.32Å; A199-V203 VanDerWaalsContact O-CG2 3.26Å; A199-V203 WeakPolarHBondContact O-CG2 3.28Å; A199-V203 PolarHBondContact O-N 3.27Å; V203-S205 VanDerWaalsContact C-N 3.35Å; V203-D206 PolarHBondContact O-N 2.9Å; V203-V207 WeakPolarHBondContact O-CG2 3.44Å
204A52.1Low48.2Very low29 Ų2967.1 Ų67.124%0.2437%0.373CS..Hα-helixtrans-67.6-33.7175.400000112.5V93 V200 I202V93-A204 WeakPolarHBondContact CG1-O 3.43Å; V200-A204 WeakPolarHBondContact O-CB 3.01Å; V200-A204 PolarHBondContact O-N 2.91Å; I202-A204 VanDerWaalsContact C-N 3.33Å; I202-A204 PolarHBondContact O-N 2.79Å
205S51.6Low47.7Very low46 Ų4673.6 Ų73.632%0.32240%0.399SS..Hα-helixtrans-71.6-30.5176590000113.2K201 I202 V203 V207K201-S205 WeakPolarHBondContact O-CB 3.21Å; K201-S205 PolarHBondContact O-N 3.15Å; K201-S205 VanDerWaalsContact O-N 3.17Å; K201-S205 PolarHBondContact O-OG 3.19Å; I202-S205 PolarHBondContact O-N 3.17Å; I202-S205 VanDerWaalsContact O-N 3.15Å; I202-S205 PolarHBondContact O-OG 3.23Å; V203-S205 VanDerWaalsContact C-N 3.35Å; S205-V207 PolarHBondContact O-N 3.01Å
206D54.5Low47.1Very low103 Ų10380 Ų8055%0.55143%0.425SS*.THydrogen-bonded Turntrans-87.82.3-172.3-67.3-1.9000114.1I202 V203 I208I202-D206 WeakPolarHBondContact O-CB 3.43Å; I202-D206 PolarHBondContact O-N 2.96Å; V203-D206 PolarHBondContact O-N 2.9Å; D206-I208 PolarHBondContact O-N 3.3Å
207V50.9Low46.2Very low23 Ų2384.7 Ų84.714%0.13945%0.448CS..  trans-70.994.2173.6-173.90000109.5K50 V203 S205K50-V207 PolarHBondContact NZ-O 2.84Å; V203-V207 WeakPolarHBondContact O-CG2 3.44Å; S205-V207 PolarHBondContact O-N 3.01Å
208I48.6Very low45.5Very low141 Ų14191.6 Ų91.672%0.72348%0.481SS*.  trans-92.6117.6166.6-55.2174.6000106.5D206D206-I208 PolarHBondContact O-N 3.3Å
209V42.5Very low44.8Very low50 Ų5097.1 Ų97.130%0.30351%0.507SS..  trans-80.2121.3162.8-179.70000104.3Y33 D211Y33-V209 HydrophobicContact CD1-CG1 4.36Å; Y33-V209 HydrophobicContact CE1-CG1 4.14Å; Y33-V209 HydrophobicContact CE1-CG2 4.06Å; V209-D211 PolarHBondContact O-N 2.96Å
210E41.3Very low44Very low179 Ų179102.4 Ų102.484%0.83654%0.543SS*.  trans-54.1111.8170.9-67.8176.617300107.1S212E210-S212 PolarHBondContact O-N 2.83Å
211D37.6Very low43.2Very low152 Ų152109.6 Ų109.681%0.81358%0.582SS**  trans-58.9111175.4-136.94.8000105.4V209 T213V209-D211 PolarHBondContact O-N 2.96Å; D211-T213 VanDerWaalsContact C-N 3.26Å; D211-T213 PolarHBondContact O-N 2.88Å
212S38.4Very low42.8Very low71 Ų71112.9 Ų112.950%0.49760%0.602SS.*  trans-64.199.7168.154.60000105.6E210 D214E210-S212 PolarHBondContact O-N 2.83Å; S212-D214 PolarHBondContact O-N 2.8Å
213T36.5Very low42.2Very low124 Ų124114.3 Ų114.376%0.76162%0.618SS**  trans-52.911417243.30000108.2D211 E215D211-T213 VanDerWaalsContact C-N 3.26Å; D211-T213 PolarHBondContact O-N 2.88Å; T213-E215 PolarHBondContact O-N 3.18Å
214D36.8Very low41.8Very low143 Ų143121.4 Ų121.477%0.76566%0.656SS**  trans-58.8105.6170.7-70.5-47.8000108.6S212 E216S212-D214 PolarHBondContact O-N 2.8Å; D214-E216 VanDerWaalsContact C-N 3.33Å; D214-E216 PolarHBondContact O-N 3.16Å
215E37.2Very low41.4Very low178 Ų178125.1 Ų125.183%0.83268%0.677SS**  trans-75.991.7157.8-71.6-172.5168.300107.1T213 D217T213-E215 PolarHBondContact O-N 3.18Å; E215-D217 PolarHBondContact O-N 3.02Å
216E36.8Very low40.8Very low184 Ų184134.2 Ų134.286%0.8671%0.705SS**  trans-75103.7162.1-72.2-171.3166.400108.7D214D214-E216 VanDerWaalsContact C-N 3.33Å; D214-E216 PolarHBondContact O-N 3.16Å
217D32.8Very low39.8Very low147 Ų147135.1 Ų135.179%0.78671%0.714SS**  trans-96.9136.4167.7-110-22.5000111.2E215E215-D217 PolarHBondContact O-N 3.02Å
218E37.9Very low39.1Very low154 Ų154139 Ų13972%0.7274%0.742SS**  trans89.6100.9156.7-62.1-164.1139.800121.9
219Q36.4Very low38.4Very low165 Ų165137.7 Ų137.777%0.77175%0.745SS**  69.1110.1125.1-69.9170.510.100119.6
220S38.3Very low37.9Very low112 Ų112140.7 Ų140.778%0.78377%0.769SS**  168.412396.666.70000112.5
221D37.3Very low37.5Very low151 Ų151138.5 Ų138.581%0.80777%0.767SS**  trans61.8129.7137.8-89.1-17.9000124
222L43.6Very low37.3Very low151 Ų151137.7 Ų137.779%0.79177%0.768SS**  trans99.1102.8148.9-63.8156.4000119.5
223S40.3Very low37.2Very low92 Ų92139.4 Ų139.464%0.64378%0.776SS**  37.5127.3129.447.10000118.4
224D46.6Very low37.9Very low155 Ų155138.3 Ų138.383%0.82977%0.766SS**  cis-166.3165.944.3-106.9-32.8000110.5
225P43.4Very low38.8Very low106 Ų106138 Ų13869%0.68876%0.764SS**  trans-93.8141-171.635.7-30.3000112.8
226R39.9Very low39.9Very low238 Ų238133.3 Ų133.390%0.89875%0.75SS**  trans-176108146.9-102.8157.7-173.9-159.63.1113.9
227T33.3Very low41.4Very low121 Ų121129 Ų12974%0.74273%0.733SS**  65.199.2122.3-35.90000119.9
228S36.5Very low43.4Very low104 Ų104125.9 Ų125.973%0.72772%0.717SS**  85.4113.8129.5-58.70000122.5
229S33.2Very low45.4Very low114 Ų114120.3 Ų120.380%0.79769%0.692SS**  trans67.1111.6133.5-73.50000120.3
230S32.7Very low47.4Very low114 Ų114117.6 Ų117.680%0.79768%0.679SS**  176.8102.38140.70000109.6
231T32.8Very low49.7Very low132 Ų132118.8 Ų118.881%0.8167%0.67SS**  trans-106.1110.8179-19.80000109.7T233T231-T233 PolarHBondContact O-N 3.43Å; T231-T233 VanDerWaalsContact O-N 3.16Å
232T33.2Very low51.8Low136 Ų136112.5 Ų112.583%0.83464%0.637SS**  trans-69.984.6171.346.40000110.6
233T36.1Very low53.9Low107 Ų107105.8 Ų105.866%0.65660%0.601SS**  trans-169.5100.9168.841.80000108.6T231T231-T233 PolarHBondContact O-N 3.43Å; T231-T233 VanDerWaalsContact O-N 3.16Å
234N51.3Low56.1Low101 Ų101105.9 Ų105.954%0.5460%0.595SS.*  trans174.1-1.3153.5-94.1-2.8000116S236 D237 D238N234-S236 PolarHBondContact O-N 3.24Å; N234-D237 PolarHBondContact O-N 3.17Å; N234-D237 VanDerWaalsContact O-N 3.14Å; N234-D238 PolarHBondContact O-N 3Å
235D56.1Low58Low137 Ų13799.8 Ų99.873%0.73357%0.566SS**Hα-helixtrans-54.3-32.2-172.1-66.5-12.2000115I239D235-I239 WeakPolarHBondContact O-CD1 3.36Å; D235-I239 WeakPolarHBondContact O-CG1 3.31Å; D235-I239 PolarHBondContact O-N 3.25Å
236S59.7Low60.1Low78 Ų7894.7 Ų94.755%0.54553%0.533SS..Hα-helixtrans-73.4-40.4-179.1-1660000113.4N234 I239 H240N234-S236 PolarHBondContact O-N 3.24Å; S236-I239 PolarHBondContact O-N 3.14Å; S236-H240 PolarHBondContact O-CD2 3.49Å; S236-H240 PolarHBondContact O-N 3.39Å; S236-H240 VanDerWaalsContact O-N 3.17Å
237D68.2Low62.4Low93 Ų9387.6 Ų87.650%0.49751%0.506SS..Hα-helixtrans-72.3-36.6-179.1-88.13.2000111.2N234 I239 H240 K241N234-D237 PolarHBondContact O-N 3.17Å; N234-D237 VanDerWaalsContact O-N 3.14Å; D237-I239 VanDerWaalsContact C-N 3.31Å; D237-I239 PolarHBondContact O-N 3.15Å; D237-H240 PolarHBondContact O-N 3.38Å; D237-K241 WeakPolarHBondContact O-CG 3.47Å; D237-K241 PolarHBondContact O-N 2.82Å
238D74.6Confident65.1Low82 Ų8290.2 Ų90.244%0.43951%0.51SS..Hα-helixtrans-66.5-34.6174.9-78-15.1000111.5N234 T242N234-D238 PolarHBondContact O-N 3Å; D238-T242 WeakPolarHBondContact O-CB 3.45Å; D238-T242 PolarHBondContact O-N 3.21Å; D238-T242 VanDerWaalsContact O-N 3.08Å; D238-T242 PolarHBondContact O-OG1 2.82Å
239I79.6Confident67.5Low38 Ų3889.7 Ų89.720%0.19550%0.497CS..Hα-helixtrans-64.7-47.9174.1-70162.8000111.1D235 S236 D237 T242 I243 V259 V262 I263D235-I239 WeakPolarHBondContact O-CD1 3.36Å; D235-I239 WeakPolarHBondContact O-CG1 3.31Å; D235-I239 PolarHBondContact O-N 3.25Å; S236-I239 PolarHBondContact O-N 3.14Å; D237-I239 VanDerWaalsContact C-N 3.31Å; D237-I239 PolarHBondContact O-N 3.15Å; I239-T242 PolarHBondContact O-N 2.94Å; I239-I243 HydrophobicContact CG2-CD1 3.71Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 VanDerWaalsContact O-CG1 3.31Å; I239-I243 WeakPolarHBondContact O-CG1 3.23Å; I239-I243 PolarHBondContact O-N 3.33Å; I239-V259 HydrophobicContact CG2-CG2 4.33Å; I239-V262 HydrophobicContact CB-CG1 4.25Å; I239-V262 HydrophobicContact CG1-CG1 3.84Å; I239-V262 HydrophobicContact CG2-CG1 4.29Å; I239-I263 HydrophobicContact CD1-CG1 4.11Å
240H79.5Confident70Confident108 Ų10886.7 Ų86.750%0.548%0.484SS..Hα-helixtrans-63.8-45.5-179.1-78.7-67.1000112.3S236 D237 T242 I243 D244S236-H240 PolarHBondContact O-CD2 3.49Å; S236-H240 PolarHBondContact O-N 3.39Å; S236-H240 VanDerWaalsContact O-N 3.17Å; D237-H240 PolarHBondContact O-N 3.38Å; H240-T242 VanDerWaalsContact C-N 3.29Å; H240-T242 PolarHBondContact O-N 3Å; H240-I243 PolarHBondContact O-N 3.3Å; H240-I243 VanDerWaalsContact O-N 3.15Å; H240-D244 PolarHBondContact O-N 3.02Å
241K85.2Confident72.7Confident136 Ų13682.8 Ų82.859%0.59145%0.453SS*.Hα-helixtrans-58.7-39.9175.2-73174-176.1168.90112.6D237 D244 A245D237-K241 WeakPolarHBondContact O-CG 3.47Å; D237-K241 PolarHBondContact O-N 2.82Å; K241-D244 PolarHBondContact O-N 3.5Å; K241-A245 PolarHBondContact O-N 3Å; K241-A245 VanDerWaalsContact O-N 3.09Å
242T82.8Confident75.2Confident19 Ų1985.8 Ų85.812%0.11746%0.455CS..Hα-helixtrans-68.2-38.3178.5-52.20000111.2D238 I239 H240 L246 V262 L269 I272D238-T242 WeakPolarHBondContact O-CB 3.45Å; D238-T242 PolarHBondContact O-N 3.21Å; D238-T242 VanDerWaalsContact O-N 3.08Å; D238-T242 PolarHBondContact O-OG1 2.82Å; I239-T242 PolarHBondContact O-N 2.94Å; H240-T242 VanDerWaalsContact C-N 3.29Å; H240-T242 PolarHBondContact O-N 3Å; T242-L246 HydrophobicContact CG2-CD1 4.39Å; T242-L246 WeakPolarHBondContact O-CD1 3.11Å; T242-L246 VanDerWaalsContact O-CG 3.28Å; T242-L246 WeakPolarHBondContact O-CG 3.21Å; T242-L246 PolarHBondContact O-N 2.8Å; T242-L246 VanDerWaalsContact O-N 3.13Å; T242-V262 HydrophobicContact CG2-CG1 4.15Å; T242-V262 HydrophobicContact CG2-CG2 3.72Å; T242-L269 HydrophobicContact CG2-CD1 3.85Å; T242-I272 HydrophobicContact CG2-CD1 4Å
243I86Confident77.6Confident10 Ų1081.9 Ų81.95%0.05143%0.427CS..Hα-helixtrans-67-42.5176.6-69.3168.4000111.2I239 H240 A245 L246 R247 T255 L258 V259 V262I239-I243 HydrophobicContact CG2-CD1 3.71Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 VanDerWaalsContact O-CG1 3.31Å; I239-I243 WeakPolarHBondContact O-CG1 3.23Å; I239-I243 PolarHBondContact O-N 3.33Å; H240-I243 PolarHBondContact O-N 3.3Å; H240-I243 VanDerWaalsContact O-N 3.15Å; I243-A245 PolarHBondContact O-N 3.05Å; I243-L246 WeakPolarHBondContact O-CB 3.47Å; I243-L246 PolarHBondContact O-N 3.49Å; I243-L246 VanDerWaalsContact O-N 3.16Å; I243-R247 WeakPolarHBondContact O-CG 3.46Å; I243-R247 PolarHBondContact O-N 3.09Å; I243-T255 HydrophobicContact CD1-CG2 4.38Å; I243-L258 HydrophobicContact CG1-CB 4.32Å; I243-L258 HydrophobicContact CG2-CD1 4.45Å; I243-V259 HydrophobicContact CD1-CG2 3.51Å; I243-V262 HydrophobicContact CG1-CG2 4.32Å
244D86.5Confident79.8Confident95 Ų9583.7 Ų83.751%0.50843%0.426SS..Hα-helixtrans-62.7-42.8178.1-69.7-22.6000111.2H240 K241 L246 R247 E248H240-D244 PolarHBondContact O-N 3.02Å; K241-D244 PolarHBondContact O-N 3.5Å; D244-L246 VanDerWaalsContact C-N 3.3Å; D244-L246 PolarHBondContact O-N 3.16Å; D244-R247 WeakPolarHBondContact O-CB 3.43Å; D244-R247 PolarHBondContact O-N 3.09Å; D244-R247 VanDerWaalsContact O-N 3.09Å; D244-E248 PolarHBondContact O-N 3.45Å
245A87.7Confident81.2Confident26 Ų2682.5 Ų82.522%0.21542%0.422CS..Hα-helixtrans-59.5-38.6173.200000112.7K241 I243 E248 M249 L269K241-A245 PolarHBondContact O-N 3Å; K241-A245 VanDerWaalsContact O-N 3.09Å; I243-A245 PolarHBondContact O-N 3.05Å; A245-E248 PolarHBondContact O-N 2.94Å; A245-M249 WeakPolarHBondContact O-CE 3.12Å; A245-M249 WeakPolarHBondContact O-CG 3.24Å; A245-M249 PolarHBondContact O-N 3.42Å; A245-L269 HydrophobicContact CB-CD1 4.1Å; A245-L269 HydrophobicContact CB-CD2 4.18Å
246L87.9Confident82.2Confident0 Ų079.6 Ų79.60%041%0.413CS..Hα-helixtrans-66.4-36.6175.2-68.2162.8000111.9T242 I243 D244 M249 G250 F251 L258 V262 L269 I272 V273 L276T242-L246 HydrophobicContact CG2-CD1 4.39Å; T242-L246 WeakPolarHBondContact O-CD1 3.11Å; T242-L246 VanDerWaalsContact O-CG 3.28Å; T242-L246 WeakPolarHBondContact O-CG 3.21Å; T242-L246 PolarHBondContact O-N 2.8Å; T242-L246 VanDerWaalsContact O-N 3.13Å; I243-L246 WeakPolarHBondContact O-CB 3.47Å; I243-L246 PolarHBondContact O-N 3.49Å; I243-L246 VanDerWaalsContact O-N 3.16Å; D244-L246 VanDerWaalsContact C-N 3.3Å; D244-L246 PolarHBondContact O-N 3.16Å; L246-M249 HydrophobicContact CD2-CE 3.88Å; L246-M249 HydrophobicContact CG-CE 4.4Å; L246-M249 PolarHBondContact O-N 2.94Å; L246-G250 PolarHBondContact O-N 3.42Å; L246-F251 HydrophobicContact CB-CB 4.4Å; L246-F251 HydrophobicContact CB-CD2 4.35Å; L246-F251 HydrophobicContact CD2-CD2 3.85Å; L246-F251 HydrophobicContact CD2-CE2 4.19Å; L246-F251 WeakPolarHBondContact O-CB 3.4Å; L246-F251 WeakPolarHBondContact O-CD2 3.36Å; L246-F251 PolarHBondContact O-N 3.22Å; L246-F251 VanDerWaalsContact O-N 3.09Å; L246-L258 HydrophobicContact CD1-CD2 4.08Å; L246-V262 HydrophobicContact CD1-CG2 4.27Å; L246-L269 HydrophobicContact CD2-CD1 3.9Å; L246-L269 HydrophobicContact CG-CD1 3.88Å; L246-I272 HydrophobicContact CD1-CG2 3.76Å; L246-I272 HydrophobicContact CD2-CG2 3.76Å; L246-I272 HydrophobicContact CG-CG2 4.43Å; L246-V273 HydrophobicContact CD2-CG2 4.12Å; L246-L276 HydrophobicContact CD2-CD1 3.99Å
247R88Confident83.2Confident88 Ų8879.8 Ų79.833%0.33241%0.405SS..Hα-helixtrans-67.5-41.3174.7-66.4-60.6-174.9-147.3-1112.1I243 D244 M249 G250 F251 Q253 T255I243-R247 WeakPolarHBondContact O-CG 3.46Å; I243-R247 PolarHBondContact O-N 3.09Å; D244-R247 WeakPolarHBondContact O-CB 3.43Å; D244-R247 PolarHBondContact O-N 3.09Å; D244-R247 VanDerWaalsContact O-N 3.09Å; R247-M249 VanDerWaalsContact C-N 3.27Å; R247-M249 PolarHBondContact O-N 3.35Å; R247-G250 PolarHBondContact O-N 3.32Å; R247-F251 PolarHBondContact NH1-O 3.41Å; R247-Q253 VanDerWaalsContact CZ-O 3.29Å; R247-Q253 PolarHBondContact NH1-O 3.47Å; R247-Q253 PolarHBondContact NH2-O 3.07Å; R247-T255 PolarHBondContact NH2-OG1 3.15Å
248E88.7Confident83.9Confident177 Ų17775.3 Ų75.383%0.82738%0.381SS*.Hα-helixtrans-62.1-34.6174.2-72.8-173.6165.400112.4D244 A245 G250D244-E248 PolarHBondContact O-N 3.45Å; A245-E248 PolarHBondContact O-N 2.94Å; E248-G250 PolarHBondContact O-N 3.32Å
249M87.6Confident84.2Confident92 Ų9273.6 Ų73.645%0.45337%0.374SS..THydrogen-bonded Turntrans-75.9-1.7174-71.2-173.7-76.200114.4A245 L246 R247 F251 L269 V273A245-M249 WeakPolarHBondContact O-CE 3.12Å; A245-M249 WeakPolarHBondContact O-CG 3.24Å; A245-M249 PolarHBondContact O-N 3.42Å; L246-M249 HydrophobicContact CD2-CE 3.88Å; L246-M249 HydrophobicContact CG-CE 4.4Å; L246-M249 PolarHBondContact O-N 2.94Å; R247-M249 VanDerWaalsContact C-N 3.27Å; R247-M249 PolarHBondContact O-N 3.35Å; M249-F251 HydrophobicContact CB-CD2 3.86Å; M249-F251 HydrophobicContact CB-CE2 3.9Å; M249-L269 HydrophobicContact CE-CD1 3.59Å; M249-L269 HydrophobicContact CE-CD2 3.77Å; M249-L269 HydrophobicContact CE-CG 3.76Å; M249-V273 HydrophobicContact CE-CG2 3.63Å; M249-V273 HydrophobicContact SD-CG2 3.85Å
250G87.1Confident84.2Confident51 Ų5178.7 Ų78.753%0.52640%0.396SS..THydrogen-bonded Turntrans90.410.1174.100000115.6L246 R247 E248 K252L246-G250 PolarHBondContact O-N 3.42Å; R247-G250 PolarHBondContact O-N 3.32Å; E248-G250 PolarHBondContact O-N 3.32Å; G250-K252 PolarHBondContact O-N 2.97Å
251F88.4Confident84.3Confident33 Ų3375.2 Ų75.215%0.14538%0.381CS..  trans-71.2124175.9-71.2-73000111.2L246 R247 M249 Q253 V273 L276L246-F251 HydrophobicContact CB-CB 4.4Å; L246-F251 HydrophobicContact CB-CD2 4.35Å; L246-F251 HydrophobicContact CD2-CD2 3.85Å; L246-F251 HydrophobicContact CD2-CE2 4.19Å; L246-F251 WeakPolarHBondContact O-CB 3.4Å; L246-F251 WeakPolarHBondContact O-CD2 3.36Å; L246-F251 PolarHBondContact O-N 3.22Å; L246-F251 VanDerWaalsContact O-N 3.09Å; R247-F251 PolarHBondContact NH1-O 3.41Å; M249-F251 HydrophobicContact CB-CD2 3.86Å; M249-F251 HydrophobicContact CB-CE2 3.9Å; F251-Q253 VanDerWaalsContact CB-OE1 3.22Å; F251-V273 HydrophobicContact CE2-CG1 4.36Å; F251-V273 HydrophobicContact CE2-CG2 3.94Å; F251-V273 HydrophobicContact CZ-CB 4.46Å; F251-V273 HydrophobicContact CZ-CG1 4.11Å; F251-V273 HydrophobicContact CZ-CG2 4.36Å; F251-L276 HydrophobicContact CD1-CB 3.62Å; F251-L276 HydrophobicContact CD1-CD1 3.83Å; F251-L276 HydrophobicContact CD1-CG 4.33Å; F251-L276 HydrophobicContact CD2-CD1 4.47Å; F251-L276 HydrophobicContact CE1-CB 3.26Å; F251-L276 HydrophobicContact CE1-CD1 4.12Å; F251-L276 HydrophobicContact CE1-CG 4.33Å; F251-L276 HydrophobicContact CG-CD1 4.02Å; F251-L276 HydrophobicContact CZ-CB 3.97Å
252K86Confident84.3Confident195 Ų19568.9 Ų68.985%0.84835%0.354SS*.  trans-107.410-174.6-64.4-173.9-178.4179.90114.3G250G250-K252 PolarHBondContact O-N 2.97Å
253Q83.2Confident84.1Confident53 Ų5373.1 Ų73.125%0.24838%0.375CS..SBendtrans-60.1159.4178-70.381.9-11.400111.7R247 F251 L258 L276R247-Q253 VanDerWaalsContact CZ-O 3.29Å; R247-Q253 PolarHBondContact NH1-O 3.47Å; R247-Q253 PolarHBondContact NH2-O 3.07Å; F251-Q253 VanDerWaalsContact CB-OE1 3.22Å; Q253-L258 HydrophobicContact CB-CD2 3.99Å; Q253-L258 HydrophobicContact CB-CG 4.16Å; Q253-L276 HydrophobicContact CG-CD2 3.97Å
254K82.2Confident84Confident145 Ų14580.1 Ų80.163%0.6341%0.405SS*.  trans-64.8141.9178.9-69.6179.3179.7175.30110S256 E257 L258K254-S256 PolarHBondContact O-N 3.12Å; K254-S256 VanDerWaalsContact O-N 3.15Å; K254-E257 HydrophobicContact CB-CG 4.17Å; K254-E257 PolarHBondContact N-OE2 2.81Å; K254-E257 WeakPolarHBondContact O-CB 3.47Å; K254-E257 PolarHBondContact O-N 3.25Å; K254-L258 PolarHBondContact O-N 3.46Å; K254-L258 VanDerWaalsContact O-N 3.12Å
255T80.6Confident84Confident77 Ų7777.2 Ų77.247%0.47239%0.388SS..Hα-helixtrans-57.1-33.7-179.3-53.90000112.1I243 R247 L258 V259I243-T255 HydrophobicContact CD1-CG2 4.38Å; R247-T255 PolarHBondContact NH2-OG1 3.15Å; T255-L258 PolarHBondContact O-N 3.35Å; T255-V259 HydrophobicContact CG2-CG2 4.38Å; T255-V259 VanDerWaalsContact O-CG2 3.24Å; T255-V259 WeakPolarHBondContact O-CG2 3.38Å; T255-V259 PolarHBondContact O-N 3.21Å
256S76.9Confident83.6Confident75 Ų7587.1 Ų87.152%0.52442%0.42SS..Hα-helixtrans-62.1-40.6174.153.20000113.5K254 V259 E260K254-S256 PolarHBondContact O-N 3.12Å; K254-S256 VanDerWaalsContact O-N 3.15Å; S256-V259 PolarHBondContact O-N 2.89Å; S256-E260 PolarHBondContact O-N 3.38Å
257E81.2Confident83Confident82 Ų8288.6 Ų88.638%0.38344%0.435SS..Hα-helixtrans-67.9-40.4177.5-66163.2-17600110.5K254 E260 L261K254-E257 HydrophobicContact CB-CG 4.17Å; K254-E257 PolarHBondContact N-OE2 2.81Å; K254-E257 WeakPolarHBondContact O-CB 3.47Å; K254-E257 PolarHBondContact O-N 3.25Å; E257-E260 PolarHBondContact O-N 3.37Å; E257-L261 WeakPolarHBondContact O-CB 3.49Å; E257-L261 WeakPolarHBondContact O-CD1 3.4Å; E257-L261 PolarHBondContact O-N 3.3Å
258L82.7Confident82.7Confident0 Ų088.4 Ų88.40%044%0.441CS..Hα-helixtrans-65.4-42.8175.9-63178.1000111.6I243 L246 Q253 K254 T255 E260 L261 V262 L276I243-L258 HydrophobicContact CG1-CB 4.32Å; I243-L258 HydrophobicContact CG2-CD1 4.45Å; L246-L258 HydrophobicContact CD1-CD2 4.08Å; Q253-L258 HydrophobicContact CB-CD2 3.99Å; Q253-L258 HydrophobicContact CB-CG 4.16Å; K254-L258 PolarHBondContact O-N 3.46Å; K254-L258 VanDerWaalsContact O-N 3.12Å; T255-L258 PolarHBondContact O-N 3.35Å; L258-E260 PolarHBondContact O-N 3.06Å; L258-L261 PolarHBondContact O-N 2.65Å; L258-V262 WeakPolarHBondContact O-CB 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.43Å; L258-V262 PolarHBondContact O-N 3.08Å; L258-L276 HydrophobicContact CD2-CD1 3.79Å; L258-L276 HydrophobicContact CD2-CD2 4.45Å
259V80.4Confident82.5Confident46 Ų4683 Ų8328%0.27942%0.417SS..Hα-helixtrans-59.4-46.3175.3170.20000110.8I239 I243 T255 S256 L261 V262 I263I239-V259 HydrophobicContact CG2-CG2 4.33Å; I243-V259 HydrophobicContact CD1-CG2 3.51Å; T255-V259 HydrophobicContact CG2-CG2 4.38Å; T255-V259 VanDerWaalsContact O-CG2 3.24Å; T255-V259 WeakPolarHBondContact O-CG2 3.38Å; T255-V259 PolarHBondContact O-N 3.21Å; S256-V259 PolarHBondContact O-N 2.89Å; V259-L261 VanDerWaalsContact C-N 3.35Å; V259-L261 PolarHBondContact O-N 3.13Å; V259-V262 PolarHBondContact O-N 3.45Å; V259-I263 HydrophobicContact CG1-CD1 3.66Å; V259-I263 HydrophobicContact CG1-CG1 4.4Å; V259-I263 WeakPolarHBondContact O-CB 3.34Å; V259-I263 VanDerWaalsContact O-CG1 3.23Å; V259-I263 WeakPolarHBondContact O-CG1 3.32Å; V259-I263 PolarHBondContact O-N 3.09Å
260E79.3Confident82.3Confident144 Ų14484.2 Ų84.267%0.67342%0.422SS*.Hα-helixtrans-60.8-42.4176.5-77.2-175.9-178.500112.3S256 E257 L258 K264S256-E260 PolarHBondContact O-N 3.38Å; E257-E260 PolarHBondContact O-N 3.37Å; L258-E260 PolarHBondContact O-N 3.06Å; E260-K264 WeakPolarHBondContact O-CB 3.16Å; E260-K264 PolarHBondContact O-N 2.91Å
261L81.9Confident82.1Confident35 Ų3583.7 Ų83.718%0.18341%0.409CS..Hα-helixtrans-64.9-43.2175.7-98.2127000112.4E257 L258 V259 K264 E265 I272 K275 L276E257-L261 WeakPolarHBondContact O-CB 3.49Å; E257-L261 WeakPolarHBondContact O-CD1 3.4Å; E257-L261 PolarHBondContact O-N 3.3Å; L258-L261 PolarHBondContact O-N 2.65Å; V259-L261 VanDerWaalsContact C-N 3.35Å; V259-L261 PolarHBondContact O-N 3.13Å; L261-K264 PolarHBondContact O-N 2.88Å; L261-E265 WeakPolarHBondContact O-CB 3.36Å; L261-E265 WeakPolarHBondContact O-CG 3.48Å; L261-E265 PolarHBondContact O-N 3.34Å; L261-I272 HydrophobicContact CB-CG2 4.44Å; L261-I272 HydrophobicContact CD2-CG2 4.23Å; L261-K275 HydrophobicContact CD2-CB 4.01Å; L261-K275 HydrophobicContact CD2-CD 4.24Å; L261-L276 HydrophobicContact CD1-CD2 3.96Å
262V84.4Confident82.1Confident3 Ų382.1 Ų82.12%0.01840%0.402CS..Hα-helixtrans-64.5-42.4179.2173.80000110.9I239 T242 I243 L246 L258 V259 R266 G267 I272I239-V262 HydrophobicContact CB-CG1 4.25Å; I239-V262 HydrophobicContact CG1-CG1 3.84Å; I239-V262 HydrophobicContact CG2-CG1 4.29Å; T242-V262 HydrophobicContact CG2-CG1 4.15Å; T242-V262 HydrophobicContact CG2-CG2 3.72Å; I243-V262 HydrophobicContact CG1-CG2 4.32Å; L246-V262 HydrophobicContact CD1-CG2 4.27Å; L258-V262 WeakPolarHBondContact O-CB 3.28Å; L258-V262 WeakPolarHBondContact O-CG2 3.43Å; L258-V262 PolarHBondContact O-N 3.08Å; V259-V262 PolarHBondContact O-N 3.45Å; V262-R266 WeakPolarHBondContact O-CA 3.32Å; V262-R266 PolarHBondContact O-N 3.04Å; V262-G267 PolarHBondContact O-N 3.03Å; V262-I272 HydrophobicContact CB-CD1 4.37Å; V262-I272 HydrophobicContact CG2-CD1 3.86Å
263I80.3Confident82.1Confident108 Ų10874.5 Ų74.555%0.55437%0.371SS*.Hα-helixtrans-64.4-46174.8-67.6168.2000110.4I239 V259 R266I239-I263 HydrophobicContact CD1-CG1 4.11Å; V259-I263 HydrophobicContact CG1-CD1 3.66Å; V259-I263 HydrophobicContact CG1-CG1 4.4Å; V259-I263 WeakPolarHBondContact O-CB 3.34Å; V259-I263 VanDerWaalsContact O-CG1 3.23Å; V259-I263 WeakPolarHBondContact O-CG1 3.32Å; V259-I263 PolarHBondContact O-N 3.09Å; I263-R266 PolarHBondContact O-N 2.97Å
264K83.5Confident82.3Confident158 Ų15876.6 Ų76.669%0.68738%0.381SS*.Hα-helixtrans-65-40.9-177.7-173.1179-178.9175.10112.8E260 L261 R266E260-K264 WeakPolarHBondContact O-CB 3.16Å; E260-K264 PolarHBondContact O-N 2.91Å; L261-K264 PolarHBondContact O-N 2.88Å; K264-R266 VanDerWaalsContact C-N 3.34Å
265E85.6Confident82.5Confident33 Ų3374.4 Ų74.415%0.15437%0.372CS..THydrogen-bonded Turntrans-92.98.7-179.4-55-51.7128.800113.2L261 G267 N268 I272 K275L261-E265 WeakPolarHBondContact O-CB 3.36Å; L261-E265 WeakPolarHBondContact O-CG 3.48Å; L261-E265 PolarHBondContact O-N 3.34Å; E265-G267 VanDerWaalsContact C-N 3.3Å; E265-G267 PolarHBondContact O-N 3Å; E265-N268 VanDerWaalsContact O-CB 3.27Å; E265-N268 WeakPolarHBondContact O-CB 3.36Å; E265-N268 PolarHBondContact O-N 2.93Å; E265-I272 HydrophobicContact CB-CD1 4.16Å; E265-I272 HydrophobicContact CB-CG1 3.65Å; E265-I272 HydrophobicContact CG-CG1 3.74Å; E265-K275 IonicContact OE1-NZ 2.59Å; E265-K275 PolarHBondContact OE1-NZ 2.85Å; E265-K275 IonicContact OE2-NZ 3.2Å; E265-K275 PolarHBondContact OE2-NZ 3.24Å
266R80Confident82.7Confident235 Ų23572 Ų7289%0.88736%0.356SS*.THydrogen-bonded Turntrans52.643.1178.6-56.4-177.2177-165.5-1.8113.4V262 I263 K264 N268V262-R266 WeakPolarHBondContact O-CA 3.32Å; V262-R266 PolarHBondContact O-N 3.04Å; I263-R266 PolarHBondContact O-N 2.97Å; K264-R266 VanDerWaalsContact C-N 3.34Å; R266-N268 PolarHBondContact O-N 3.35Å
267G74.2Confident82.8Confident31 Ų3171.9 Ų71.932%0.3236%0.359SS..THydrogen-bonded Turntrans70.39.1-179.400000115.2V262 E265 L269V262-G267 PolarHBondContact O-N 3.03Å; E265-G267 VanDerWaalsContact C-N 3.3Å; E265-G267 PolarHBondContact O-N 3Å; G267-L269 PolarHBondContact O-N 3.3Å
268N83.1Confident82.3Confident83 Ų8377.2 Ų77.244%0.44439%0.391SS..  trans-74.696.8176.8-174-18000111E265 R266 Q270 T271 I272E265-N268 VanDerWaalsContact O-CB 3.27Å; E265-N268 WeakPolarHBondContact O-CB 3.36Å; E265-N268 PolarHBondContact O-N 2.93Å; R266-N268 PolarHBondContact O-N 3.35Å; N268-Q270 PolarHBondContact O-N 3.23Å; N268-Q270 PolarHBondContact OD1-N 3.18Å; N268-T271 VanDerWaalsContact CB-OG1 3.3Å; N268-T271 WeakPolarHBondContact CB-OG1 3.28Å; N268-T271 PolarHBondContact O-N 3.45Å; N268-T271 PolarHBondContact O-OG1 3.17Å; N268-T271 VanDerWaalsContact O-OG1 3.06Å; N268-I272 WeakPolarHBondContact O-CD1 3.27Å; N268-I272 VanDerWaalsContact O-CG1 3.25Å; N268-I272 WeakPolarHBondContact O-CG1 3.49Å; N268-I272 PolarHBondContact O-N 2.99Å
269L83.8Confident82.3Confident63 Ų6381.1 Ų81.133%0.3341%0.41SS..Hα-helixtrans-55.5-37.3-177.6-167.269.5000113T242 A245 L246 M249 G267 I272 V273T242-L269 HydrophobicContact CG2-CD1 3.85Å; A245-L269 HydrophobicContact CB-CD1 4.1Å; A245-L269 HydrophobicContact CB-CD2 4.18Å; L246-L269 HydrophobicContact CD2-CD1 3.9Å; L246-L269 HydrophobicContact CG-CD1 3.88Å; M249-L269 HydrophobicContact CE-CD1 3.59Å; M249-L269 HydrophobicContact CE-CD2 3.77Å; M249-L269 HydrophobicContact CE-CG 3.76Å; G267-L269 PolarHBondContact O-N 3.3Å; L269-I272 PolarHBondContact O-N 3.36Å; L269-V273 HydrophobicContact CG-CG2 4.46Å; L269-V273 WeakPolarHBondContact O-CB 3.25Å; L269-V273 VanDerWaalsContact O-CG2 3.22Å; L269-V273 WeakPolarHBondContact O-CG2 3.22Å; L269-V273 PolarHBondContact O-N 3.36Å
270Q82.8Confident82.4Confident119 Ų11982.9 Ų82.956%0.55642%0.417SS*.Hα-helixtrans-65.8-47.7-176.6-175.96426.400111.9N268 I272 V273 E274N268-Q270 PolarHBondContact O-N 3.23Å; N268-Q270 PolarHBondContact OD1-N 3.18Å; Q270-I272 VanDerWaalsContact C-N 3.3Å; Q270-I272 PolarHBondContact O-N 3.37Å; Q270-V273 PolarHBondContact O-N 3.14Å; Q270-E274 PolarHBondContact NE2-OE1 3.06Å; Q270-E274 VanDerWaalsContact NE2-OE1 3.08Å; Q270-E274 WeakPolarHBondContact O-CG 3.38Å; Q270-E274 PolarHBondContact O-N 3.46Å
271T84.6Confident82.6Confident40 Ų4079.6 Ų79.625%0.24540%0.403CS..Hα-helixtrans-68.9-30.7177.736.60000112.3N268 K275N268-T271 VanDerWaalsContact CB-OG1 3.3Å; N268-T271 WeakPolarHBondContact CB-OG1 3.28Å; N268-T271 PolarHBondContact O-N 3.45Å; N268-T271 PolarHBondContact O-OG1 3.17Å; N268-T271 VanDerWaalsContact O-OG1 3.06Å; T271-K275 WeakPolarHBondContact O-CG 3.43Å; T271-K275 PolarHBondContact O-N 3.21Å; T271-K275 VanDerWaalsContact O-N 3.14Å
272I87.1Confident82.6Confident0 Ų082.2 Ų82.20%042%0.416CS..Hα-helixtrans-66.3-47.5174.1-63.9164.1000110.1T242 L246 L261 V262 E265 N268 L269 Q270 E274 K275 L276T242-I272 HydrophobicContact CG2-CD1 4Å; L246-I272 HydrophobicContact CD1-CG2 3.76Å; L246-I272 HydrophobicContact CD2-CG2 3.76Å; L246-I272 HydrophobicContact CG-CG2 4.43Å; L261-I272 HydrophobicContact CB-CG2 4.44Å; L261-I272 HydrophobicContact CD2-CG2 4.23Å; V262-I272 HydrophobicContact CB-CD1 4.37Å; V262-I272 HydrophobicContact CG2-CD1 3.86Å; E265-I272 HydrophobicContact CB-CD1 4.16Å; E265-I272 HydrophobicContact CB-CG1 3.65Å; E265-I272 HydrophobicContact CG-CG1 3.74Å; N268-I272 WeakPolarHBondContact O-CD1 3.27Å; N268-I272 VanDerWaalsContact O-CG1 3.25Å; N268-I272 WeakPolarHBondContact O-CG1 3.49Å; N268-I272 PolarHBondContact O-N 2.99Å; L269-I272 PolarHBondContact O-N 3.36Å; Q270-I272 VanDerWaalsContact C-N 3.3Å; Q270-I272 PolarHBondContact O-N 3.37Å; I272-E274 PolarHBondContact O-N 3.2Å; I272-K275 PolarHBondContact O-N 3.2Å; I272-L276 HydrophobicContact CG2-CD1 3.65Å; I272-L276 HydrophobicContact CG2-CG 4.28Å; I272-L276 VanDerWaalsContact O-CG 3.28Å; I272-L276 WeakPolarHBondContact O-CG 3.26Å; I272-L276 PolarHBondContact O-N 2.59Å
273V87.1Confident82.5Confident34 Ų3487.1 Ų87.121%0.20644%0.44CS..Hα-helixtrans-59.9-44.2177.6169.40000111.3L246 M249 F251 L269 Q270 K275 L276 A277L246-V273 HydrophobicContact CD2-CG2 4.12Å; M249-V273 HydrophobicContact CE-CG2 3.63Å; M249-V273 HydrophobicContact SD-CG2 3.85Å; F251-V273 HydrophobicContact CE2-CG1 4.36Å; F251-V273 HydrophobicContact CE2-CG2 3.94Å; F251-V273 HydrophobicContact CZ-CB 4.46Å; F251-V273 HydrophobicContact CZ-CG1 4.11Å; F251-V273 HydrophobicContact CZ-CG2 4.36Å; L269-V273 HydrophobicContact CG-CG2 4.46Å; L269-V273 WeakPolarHBondContact O-CB 3.25Å; L269-V273 VanDerWaalsContact O-CG2 3.22Å; L269-V273 WeakPolarHBondContact O-CG2 3.22Å; L269-V273 PolarHBondContact O-N 3.36Å; Q270-V273 PolarHBondContact O-N 3.14Å; V273-K275 VanDerWaalsContact C-N 3.29Å; V273-K275 PolarHBondContact O-N 2.89Å; V273-L276 PolarHBondContact O-N 3.04Å; V273-A277 VanDerWaalsContact O-CB 3.26Å; V273-A277 WeakPolarHBondContact O-CB 3.3Å; V273-A277 PolarHBondContact O-N 3.08Å
274E86.6Confident82.7Confident97 Ų9785.7 Ų85.745%0.45343%0.433SS..Hα-helixtrans-62.4-33.2176.7-74.7171.2-166.600113.3Q270 I272 N278Q270-E274 PolarHBondContact NE2-OE1 3.06Å; Q270-E274 VanDerWaalsContact NE2-OE1 3.08Å; Q270-E274 WeakPolarHBondContact O-CG 3.38Å; Q270-E274 PolarHBondContact O-N 3.46Å; I272-E274 PolarHBondContact O-N 3.2Å; E274-N278 PolarHBondContact O-ND2 2.94Å
275K85.8Confident82.6Confident100 Ų10080.6 Ų80.644%0.43542%0.415SS..Hα-helixtrans-79.1-25.5176.4-76.8-178.1-179.2178.80113.8L261 E265 T271 I272 V273L261-K275 HydrophobicContact CD2-CB 4.01Å; L261-K275 HydrophobicContact CD2-CD 4.24Å; E265-K275 IonicContact OE1-NZ 2.59Å; E265-K275 PolarHBondContact OE1-NZ 2.85Å; E265-K275 IonicContact OE2-NZ 3.2Å; E265-K275 PolarHBondContact OE2-NZ 3.24Å; T271-K275 WeakPolarHBondContact O-CG 3.43Å; T271-K275 PolarHBondContact O-N 3.21Å; T271-K275 VanDerWaalsContact O-N 3.14Å; I272-K275 PolarHBondContact O-N 3.2Å; V273-K275 VanDerWaalsContact C-N 3.29Å; V273-K275 PolarHBondContact O-N 2.89Å
276L85.5Confident82.4Confident26 Ų2684.2 Ų84.214%0.13644%0.435CS..Hα-helixtrans-90.8-17.7178.7-65.6173.1000112.9L246 F251 Q253 L258 L261 I272 V273L246-L276 HydrophobicContact CD2-CD1 3.99Å; F251-L276 HydrophobicContact CD1-CB 3.62Å; F251-L276 HydrophobicContact CD1-CD1 3.83Å; F251-L276 HydrophobicContact CD1-CG 4.33Å; F251-L276 HydrophobicContact CD2-CD1 4.47Å; F251-L276 HydrophobicContact CE1-CB 3.26Å; F251-L276 HydrophobicContact CE1-CD1 4.12Å; F251-L276 HydrophobicContact CE1-CG 4.33Å; F251-L276 HydrophobicContact CG-CD1 4.02Å; F251-L276 HydrophobicContact CZ-CB 3.97Å; Q253-L276 HydrophobicContact CG-CD2 3.97Å; L258-L276 HydrophobicContact CD2-CD1 3.79Å; L258-L276 HydrophobicContact CD2-CD2 4.45Å; L261-L276 HydrophobicContact CD1-CD2 3.96Å; I272-L276 HydrophobicContact CG2-CD1 3.65Å; I272-L276 HydrophobicContact CG2-CG 4.28Å; I272-L276 VanDerWaalsContact O-CG 3.28Å; I272-L276 WeakPolarHBondContact O-CG 3.26Å; I272-L276 PolarHBondContact O-N 2.59Å; V273-L276 PolarHBondContact O-N 3.04Å
277A79.7Confident82.6Confident73 Ų7371.7 Ų71.760%0.60340%0.397SS*.  trans-89.7-11.3177.400000114.1V273V273-A277 VanDerWaalsContact O-CB 3.26Å; V273-A277 WeakPolarHBondContact O-CB 3.3Å; V273-A277 PolarHBondContact O-N 3.08Å
278N70.9Confident83.4Confident194 Ų19475.4 Ų75.4100%1.03740%0.404SS*.  trans-104.40174.3-73.6-49.8000111E274E274-N278 PolarHBondContact O-ND2 2.94Å

Retrieved 278 of 278 residues in 57.6 ms (Link to these results)

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