A0A087XKE1_POEFO Loading...

Potassium channel tetramerization domain containing 6

AlphaFold DB , UniProt , Accession A0A087XKE1, Species POEFO (Poecilia formosa, Amazon molly), Gene KCTD6, Length 239 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
1M35Very low44.1Very low236 Ų236137.7 Ų137.7100%1.16376%0.764SS**  086.70-69.9172.2176.600106
2E34.7Very low46.8Very low199 Ų199139.8 Ų139.893%0.9376%0.764SS**  trans-85.4115.2171.7-89.9174.6114.200107.4G4E2-G4 PolarHBondContact O-N 2.98Å
3N38.8Very low49.9Very low158 Ų158137.5 Ų137.585%0.84576%0.76SS**  trans-64.5116.3172.5-70.6-37.4000107.7D5N3-D5 PolarHBondContact O-N 3.46Å; N3-D5 VanDerWaalsContact O-N 3.17Å
4G38.5Very low53Low68 Ų68128.8 Ų128.870%0.70171%0.712SS**  trans-55118178.300000111.1E2 L6E2-G4 PolarHBondContact O-N 2.98Å; G4-L6 VanDerWaalsContact C-N 3.31Å; G4-L6 PolarHBondContact O-N 3.26Å
5D43.8Very low55.8Low128 Ų128122.9 Ų122.968%0.68468%0.683SS**  trans-67.886.1176.2-169.38.3000110.1N3 G7N3-D5 PolarHBondContact O-N 3.46Å; N3-D5 VanDerWaalsContact O-N 3.17Å; D5-G7 PolarHBondContact O-N 2.8Å; D5-G7 WeakPolarHBondContact OD1-CA 3.4Å; D5-G7 PolarHBondContact OD1-N 2.89Å; D5-G7 VanDerWaalsContact OD1-N 3.13Å
6L44.7Very low58.4Low134 Ų134115.2 Ų115.270%0.70264%0.641SS**G310 helixtrans-66-9.9169.5-73.9163.7000112G4 H8 M9G4-L6 VanDerWaalsContact C-N 3.31Å; G4-L6 PolarHBondContact O-N 3.26Å; L6-H8 VanDerWaalsContact C-N 3.29Å; L6-H8 PolarHBondContact O-N 2.85Å; L6-M9 PolarHBondContact O-N 2.98Å
7G41.5Very low60.7Low56 Ų56109.6 Ų109.658%0.57761%0.609SS**G310 helixtrans-68.2-25.1-177.700000113.8D5D5-G7 PolarHBondContact O-N 2.8Å; D5-G7 WeakPolarHBondContact OD1-CA 3.4Å; D5-G7 PolarHBondContact OD1-N 2.89Å; D5-G7 VanDerWaalsContact OD1-N 3.13Å
8H45Very low62.8Low168 Ų168103.6 Ų103.678%0.77858%0.576SS**G310 helixtrans-88.5-13.5-178-151.959.1000114.3L6L6-H8 VanDerWaalsContact C-N 3.29Å; L6-H8 PolarHBondContact O-N 2.85Å
9M45.7Very low64.5Low173 Ų173100.5 Ų100.585%0.85257%0.57SS**THydrogen-bonded Turntrans-90.6-16.8180-74.3-155.2167.700114.3L6L6-M9 PolarHBondContact O-N 2.98Å
10M54.3Low65.9Low156 Ų15698.3 Ų98.377%0.76857%0.57SS**SBendtrans-107.488.7173.2-60.7-166.5-150.800108.6
11G62.9Low67.4Low39 Ų3995.6 Ų95.640%0.40256%0.556SS.*PPolyproline II helixtrans-52.1149.6179.900000112.7
12E76.4Confident70.4Confident163 Ų16387.5 Ų87.576%0.76252%0.52SS*.PPolyproline II helixtrans-47.5137-172.8-69.3-175.3165.400113V14E12-V14 PolarHBondContact O-N 2.86Å
13P87.8Confident73.4Confident110 Ų11080.1 Ų80.171%0.71448%0.484SS*.EExtended strand (participates in β ladder)trans-66.8127.9-179.225.5-32000111.1T25P13-T25 CarbonylContact C-O 3.59Å; P13-T25 WeakPolarHBondContact CA-O 3.37Å
14V93Very high76.1Confident15 Ų1576 Ų769%0.09147%0.468CS..EExtended strand (participates in β ladder)trans-104131.8173.5-179.70000108.7E12 S24 T25 L27 L30 F42 Y56E12-V14 PolarHBondContact O-N 2.86Å; V14-S24 WeakPolarHBondContact O-CA 3.37Å; V14-T25 PolarHBondContact N-O 2.99Å; V14-T25 PolarHBondContact O-N 3.45Å; V14-L27 HydrophobicContact CG2-CD2 3.85Å; V14-L27 HydrophobicContact CG2-CG 3.67Å; V14-L30 HydrophobicContact CB-CD1 4.17Å; V14-L30 HydrophobicContact CG1-CD1 3.9Å; V14-F42 HydrophobicContact CG1-CD1 4.46Å; V14-F42 HydrophobicContact CG1-CE1 3.71Å; V14-F42 HydrophobicContact CG1-CZ 4.26Å; V14-Y56 HydrophobicContact CG1-CD2 3.68Å; V14-Y56 HydrophobicContact CG1-CE2 3.79Å
15S95.6Very high78.8Confident40 Ų4073.4 Ų73.428%0.2844%0.438SS..EExtended strand (participates in β ladder)trans-105.9134176.1-61.60000111.7Y23 S24 N55 Y56S15-Y23 CarbonylContact C-O 3.53Å; S15-Y23 WeakPolarHBondContact CA-O 3.08Å; S15-S24 PolarHBondContact OG-OG 3.43Å; S15-N55 WeakPolarHBondContact CB-OD1 3.22Å; S15-N55 WeakPolarHBondContact O-CA 3.47Å; S15-Y56 PolarHBondContact O-N 2.72Å
16L97Very high81.1Confident0 Ų068.3 Ų68.30%041%0.413CS..EExtended strand (participates in β ladder)trans-120.1142.6-178.9-60141.5000108.6V18 V22 Y23 T25 L30 F42 Y56 I58 F65L16-V18 HydrophobicContact CB-CG2 4.24Å; L16-V22 CarbonylContact O-C 3.52Å; L16-V22 VanDerWaalsContact O-CA 3.26Å; L16-V22 WeakPolarHBondContact O-CA 3.41Å; L16-Y23 PolarHBondContact N-O 3.44Å; L16-Y23 PolarHBondContact O-N 2.76Å; L16-T25 HydrophobicContact CD1-CG2 3.93Å; L16-L30 HydrophobicContact CD1-CD1 4.21Å; L16-L30 HydrophobicContact CD1-CD2 3.88Å; L16-L30 HydrophobicContact CD2-CD1 4.48Å; L16-F42 HydrophobicContact CD2-CE2 3.86Å; L16-F42 HydrophobicContact CD2-CZ 3.54Å; L16-Y56 CarbonylContact C-O 3.58Å; L16-Y56 VanDerWaalsContact CA-O 3.31Å; L16-Y56 WeakPolarHBondContact CA-O 3.5Å; L16-I58 HydrophobicContact CD2-CD1 4Å; L16-F65 HydrophobicContact CD1-CE1 4.07Å; L16-F65 HydrophobicContact CD1-CZ 4.18Å
17N97.4Very high83.4Confident21 Ų2164.6 Ų64.611%0.11239%0.394CS..EExtended strand (participates in β ladder)trans-115.5107167.9179-9.4000107.9G20 C21 D51 N55 Y56 F57 I58N17-G20 WeakPolarHBondContact OD1-CA 3.44Å; N17-G20 PolarHBondContact OD1-N 3.33Å; N17-C21 WeakPolarHBondContact CA-O 3.2Å; N17-D51 WeakPolarHBondContact CB-OD2 3.42Å; N17-D51 PolarHBondContact ND2-OD2 3.42Å; N17-N55 HydrophobicContact CB-CB 3.97Å; N17-Y56 PolarHBondContact N-O 3.46Å; N17-F57 HydrophobicContact CB-CD2 4.2Å; N17-F57 CarbonylContact O-C 3.5Å; N17-F57 WeakPolarHBondContact O-CA 3.38Å; N17-I58 PolarHBondContact O-N 2.98Å
18V97.8Very high85.7Confident0 Ų065.5 Ų65.50%039%0.391CS..EExtended strand (participates in β ladder)trans-109.3104.4-177.4-170.80000108.9L16 G20 C21 Y23 I58 R60 G62 F65L16-V18 HydrophobicContact CB-CG2 4.24Å; V18-G20 PolarHBondContact O-N 3.03Å; V18-G20 VanDerWaalsContact O-N 3.1Å; V18-C21 PolarHBondContact N-O 2.97Å; V18-C21 WeakPolarHBondContact O-CB 3.4Å; V18-C21 PolarHBondContact O-N 3.31Å; V18-Y23 HydrophobicContact CB-CD2 4.46Å; V18-Y23 HydrophobicContact CB-CE2 4.48Å; V18-Y23 HydrophobicContact CG2-CD2 4.23Å; V18-I58 CarbonylContact C-O 3.57Å; V18-I58 VanDerWaalsContact CA-O 3.3Å; V18-I58 WeakPolarHBondContact CA-O 3.33Å; V18-I58 HydrophobicContact CG1-CB 4.32Å; V18-I58 HydrophobicContact CG1-CG2 4.32Å; V18-I58 HydrophobicContact CG2-CB 4.21Å; V18-I58 HydrophobicContact CG2-CD1 4.3Å; V18-R60 CarbonylContact C-O 3.46Å; V18-R60 HydrophobicContact CG1-CB 3.99Å; V18-G62 WeakPolarHBondContact O-CA 3.29Å; V18-F65 HydrophobicContact CB-CB 4.3Å; V18-F65 HydrophobicContact CB-CD1 4.33Å; V18-F65 HydrophobicContact CB-CG 4.22Å; V18-F65 HydrophobicContact CG1-CB 3.89Å; V18-F65 HydrophobicContact CG1-CD2 4.27Å; V18-F65 HydrophobicContact CG1-CG 4.01Å; V18-F65 HydrophobicContact CG2-CB 4.48Å; V18-F65 HydrophobicContact CG2-CD1 3.67Å; V18-F65 HydrophobicContact CG2-CD2 4.24Å; V18-F65 HydrophobicContact CG2-CE1 3.86Å; V18-F65 HydrophobicContact CG2-CE2 4.39Å; V18-F65 HydrophobicContact CG2-CG 3.86Å; V18-F65 HydrophobicContact CG2-CZ 4.22Å
19G95.4Very high88Confident46 Ų4658.1 Ų58.147%0.47436%0.358SS..THydrogen-bonded Turntrans56.826.7-178.600000114.6I58 R60G19-I58 PolarHBondContact N-O 2.67Å; G19-R60 WeakPolarHBondContact CA-O 3.26Å; G19-R60 PolarHBondContact N-O 2.95Å
20G93.6Very high90.3Very high55 Ų5549.9 Ų49.957%0.56732%0.317SS*.THydrogen-bonded Turntrans98.5-11.9-174.900000114.8N17 V18N17-G20 WeakPolarHBondContact OD1-CA 3.44Å; N17-G20 PolarHBondContact OD1-N 3.33Å; V18-G20 PolarHBondContact O-N 3.03Å; V18-G20 VanDerWaalsContact O-N 3.1Å
21C96.8Very high92.1Very high42 Ų4247.6 Ų47.628%0.28430%0.3SS..EExtended strand (participates in β ladder)trans-89121.4175.6-640000111N17 V18 Y23N17-C21 WeakPolarHBondContact CA-O 3.2Å; V18-C21 PolarHBondContact N-O 2.97Å; V18-C21 WeakPolarHBondContact O-CB 3.4Å; V18-C21 PolarHBondContact O-N 3.31Å; C21-Y23 HydrophobicContact CB-CD2 4.33Å; C21-Y23 HydrophobicContact CB-CE2 3.57Å; C21-Y23 WeakPolarHBondContact O-CD2 3.19Å
22V97.2Very high93.5Very high67 Ų6751 Ų5141%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-88.5124.7179.5-177.20000110.8L16L16-V22 CarbonylContact O-C 3.52Å; L16-V22 VanDerWaalsContact O-CA 3.26Å; L16-V22 WeakPolarHBondContact O-CA 3.41Å
23Y97.4Very high94.3Very high43 Ų4345.5 Ų45.517%0.16927%0.273CS..EExtended strand (participates in β ladder)trans-118.5144.1175-67.8-86.9000110.6S15 L16 V18 C21 G62 F65 R66 L69S15-Y23 CarbonylContact C-O 3.53Å; S15-Y23 WeakPolarHBondContact CA-O 3.08Å; L16-Y23 PolarHBondContact N-O 3.44Å; L16-Y23 PolarHBondContact O-N 2.76Å; V18-Y23 HydrophobicContact CB-CD2 4.46Å; V18-Y23 HydrophobicContact CB-CE2 4.48Å; V18-Y23 HydrophobicContact CG2-CD2 4.23Å; C21-Y23 HydrophobicContact CB-CD2 4.33Å; C21-Y23 HydrophobicContact CB-CE2 3.57Å; C21-Y23 WeakPolarHBondContact O-CD2 3.19Å; Y23-G62 PolarHBondContact OH-O 2.93Å; Y23-F65 HydrophobicContact CD1-CD1 4.44Å; Y23-F65 AromaticContact CD2-CD1 3.62Å; Y23-F65 HydrophobicContact CD2-CD1 3.62Å; Y23-F65 HydrophobicContact CD2-CE1 4.18Å; Y23-F65 HydrophobicContact CE2-CB 4.28Å; Y23-F65 AromaticContact CE2-CD1 3.8Å; Y23-F65 HydrophobicContact CE2-CD1 3.8Å; Y23-F65 AromaticContact CG-CD1 3.97Å; Y23-F65 HydrophobicContact CG-CD1 3.97Å; Y23-F65 HydrophobicContact CG-CE1 4.25Å; Y23-R66 HydrophobicContact CE1-CB 4.15Å; Y23-L69 HydrophobicContact CD1-CD2 3.77Å; Y23-L69 HydrophobicContact CG-CD2 4.2Å
24S96Very high94.4Very high71 Ų7143.1 Ų43.150%0.49726%0.258SS..EExtended strand (participates in β ladder)trans-119.9133.9170.9-57.80000110V14 S15 R73V14-S24 WeakPolarHBondContact O-CA 3.37Å; S15-S24 PolarHBondContact OG-OG 3.43Å; S24-R73 PolarHBondContact O-NH2 2.94Å
25T95.3Very high94.4Very high14 Ų1449.6 Ų49.69%0.08629%0.292CS..EExtended strand (participates in β ladder)trans-155.7-174.8-178.1-163.40000110.8P13 V14 L16 T29 L30 L69P13-T25 CarbonylContact C-O 3.59Å; P13-T25 WeakPolarHBondContact CA-O 3.37Å; V14-T25 PolarHBondContact N-O 2.99Å; V14-T25 PolarHBondContact O-N 3.45Å; L16-T25 HydrophobicContact CD1-CG2 3.93Å; T25-T29 WeakPolarHBondContact OG1-CB 3.33Å; T25-T29 WeakPolarHBondContact OG1-CG2 3.39Å; T25-T29 PolarHBondContact OG1-OG1 3.25Å; T25-L30 HydrophobicContact CG2-CD1 3.78Å; T25-L30 HydrophobicContact CG2-CD2 3.93Å; T25-L30 HydrophobicContact CG2-CG 3.67Å; T25-L69 HydrophobicContact CG2-CD1 3.95Å
26S93.1Very high94.3Very high22 Ų2247.9 Ų47.915%0.15428%0.28CS..EExtended strand (participates in β ladder)trans-102.1157.117665.80000112.7S28 T29 L30S26-S28 WeakPolarHBondContact CB-OG 3.09Å; S26-S28 PolarHBondContact O-N 2.64Å; S26-S28 PolarHBondContact OG-OG 3.12Å; S26-T29 WeakPolarHBondContact O-CB 3.37Å; S26-T29 PolarHBondContact O-N 3.4Å; S26-T29 VanDerWaalsContact O-N 3.1Å; S26-T29 PolarHBondContact OG-N 3.23Å; S26-T29 VanDerWaalsContact OG-N 3.17Å; S26-T29 PolarHBondContact OG-OG1 2.82Å; S26-L30 PolarHBondContact O-N 3.27Å
27L91.2Very high94.2Very high56 Ų5649.9 Ų49.929%0.29329%0.29SS..Hα-helixtrans-56.2-37168.4-79.5175000112.3V14 T29 L30 R31 F42V14-L27 HydrophobicContact CG2-CD2 3.85Å; V14-L27 HydrophobicContact CG2-CG 3.67Å; L27-T29 PolarHBondContact O-N 2.97Å; L27-L30 PolarHBondContact O-N 2.88Å; L27-R31 VanDerWaalsContact O-CB 3.32Å; L27-R31 WeakPolarHBondContact O-CB 3.21Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.33Å; L27-F42 HydrophobicContact CD2-CB 4.11Å; L27-F42 HydrophobicContact CD2-CD1 3.79Å; L27-F42 HydrophobicContact CD2-CG 4.31Å
28S91.1Very high94Very high74 Ų7448.9 Ų48.952%0.51729%0.285SS..Hα-helixtrans-61.5-33.3177.655.10000112.8S26 R32S26-S28 WeakPolarHBondContact CB-OG 3.09Å; S26-S28 PolarHBondContact O-N 2.64Å; S26-S28 PolarHBondContact OG-OG 3.12Å; S28-R32 PolarHBondContact O-N 3.42Å
29T93.3Very high93.7Very high14 Ų1448.9 Ų48.99%0.08629%0.285CS..Hα-helixtrans-71-49.3175.2-57.80000110.6T25 S26 L27 R31 R32 L69 L72 R73T25-T29 WeakPolarHBondContact OG1-CB 3.33Å; T25-T29 WeakPolarHBondContact OG1-CG2 3.39Å; T25-T29 PolarHBondContact OG1-OG1 3.25Å; S26-T29 WeakPolarHBondContact O-CB 3.37Å; S26-T29 PolarHBondContact O-N 3.4Å; S26-T29 VanDerWaalsContact O-N 3.1Å; S26-T29 PolarHBondContact OG-N 3.23Å; S26-T29 VanDerWaalsContact OG-N 3.17Å; S26-T29 PolarHBondContact OG-OG1 2.82Å; L27-T29 PolarHBondContact O-N 2.97Å; T29-R31 VanDerWaalsContact C-N 3.26Å; T29-R31 PolarHBondContact O-N 3.23Å; T29-R32 WeakPolarHBondContact O-CB 3.39Å; T29-R32 PolarHBondContact O-N 3.44Å; T29-R32 VanDerWaalsContact O-N 3.16Å; T29-L69 HydrophobicContact CG2-CD1 3.97Å; T29-L72 HydrophobicContact CG2-CB 3.69Å; T29-R73 HydrophobicContact CG2-CG 3.67Å
30L93.8Very high93.5Very high0 Ų047.5 Ų47.50%027%0.269CS..Hα-helixtrans-66.5-29.1-177-65.4167.6000113V14 L16 T25 S26 L27 L38 G39 F42V14-L30 HydrophobicContact CB-CD1 4.17Å; V14-L30 HydrophobicContact CG1-CD1 3.9Å; L16-L30 HydrophobicContact CD1-CD1 4.21Å; L16-L30 HydrophobicContact CD1-CD2 3.88Å; L16-L30 HydrophobicContact CD2-CD1 4.48Å; T25-L30 HydrophobicContact CG2-CD1 3.78Å; T25-L30 HydrophobicContact CG2-CD2 3.93Å; T25-L30 HydrophobicContact CG2-CG 3.67Å; S26-L30 PolarHBondContact O-N 3.27Å; L27-L30 PolarHBondContact O-N 2.88Å; L30-L38 HydrophobicContact CD2-CD1 4.4Å; L30-L38 CarbonylContact O-C 3.58Å; L30-G39 PolarHBondContact O-N 3Å; L30-F42 HydrophobicContact CB-CB 4.37Å; L30-F42 HydrophobicContact CB-CD2 3.88Å; L30-F42 HydrophobicContact CB-CE2 4.49Å; L30-F42 HydrophobicContact CB-CG 4.1Å; L30-F42 HydrophobicContact CD1-CD1 4Å; L30-F42 HydrophobicContact CD1-CD2 3.82Å; L30-F42 HydrophobicContact CD1-CE1 3.89Å; L30-F42 HydrophobicContact CD1-CE2 3.73Å; L30-F42 HydrophobicContact CD1-CG 3.98Å; L30-F42 HydrophobicContact CD1-CZ 3.78Å; L30-F42 HydrophobicContact CD2-CE2 4.35Å; L30-F42 HydrophobicContact CG-CD2 4.28Å; L30-F42 HydrophobicContact CG-CE2 4.41Å
31R92.3Very high93.4Very high107 Ų10746.1 Ų46.140%0.40425%0.248SC..THydrogen-bonded Turntrans-92.44.6177.4-64.5175.9178175.2-0.6113.7L27 T29 Y33 F42L27-R31 VanDerWaalsContact O-CB 3.32Å; L27-R31 WeakPolarHBondContact O-CB 3.21Å; L27-R31 WeakPolarHBondContact O-CG 3.32Å; L27-R31 PolarHBondContact O-N 3.33Å; T29-R31 VanDerWaalsContact C-N 3.26Å; T29-R31 PolarHBondContact O-N 3.23Å; R31-Y33 PolarHBondContact O-N 3.4Å; R31-F42 HydrophobicContact CG-CB 4.17Å; R31-F42 PolarHBondContact NE-O 2.91Å; R31-F42 PolarHBondContact NH2-O 3.33Å
32R92Very high93.1Very high111 Ų11144.7 Ų44.742%0.41924%0.237SC..SBendtrans-57.2-37.1-175.9176.2152.4-65.8174.1-1.6113S28 T29 P34 L72 R73 S75S28-R32 PolarHBondContact O-N 3.42Å; T29-R32 WeakPolarHBondContact O-CB 3.39Å; T29-R32 PolarHBondContact O-N 3.44Å; T29-R32 VanDerWaalsContact O-N 3.16Å; R32-P34 WeakPolarHBondContact O-CD 3.21Å; R32-L72 VanDerWaalsContact CD-O 3.24Å; R32-L72 WeakPolarHBondContact CD-O 3.32Å; R32-L72 PolarHBondContact NH1-O 2.9Å; R32-R73 PolarHBondContact NH1-O 3.32Å; R32-S75 WeakPolarHBondContact CD-OG 3.28Å
33Y92.7Very high92.5Very high48 Ų4847 Ų4719%0.18824%0.238CC..SBendtrans-110.394172.2-65.5-89.3000107.6R31 D35 S36 F71 L72 S75 I98 H100R31-Y33 PolarHBondContact O-N 3.4Å; Y33-D35 PolarHBondContact O-N 2.83Å; Y33-S36 WeakPolarHBondContact O-CB 3.23Å; Y33-S36 PolarHBondContact O-N 2.92Å; Y33-S36 PolarHBondContact O-OG 2.98Å; Y33-F71 HydrophobicContact CE1-CE1 4.45Å; Y33-F71 HydrophobicContact CE2-CD1 4.08Å; Y33-F71 AromaticContact CE2-CE1 3.61Å; Y33-F71 HydrophobicContact CE2-CE1 3.61Å; Y33-F71 AromaticContact CZ-CE1 3.57Å; Y33-F71 WeakPolarHBondContact OH-CE1 3.15Å; Y33-L72 HydrophobicContact CD2-CD2 3.49Å; Y33-L72 VanDerWaalsContact CD2-CD2 3.49Å; Y33-L72 HydrophobicContact CE2-CD2 4.01Å; Y33-S75 WeakPolarHBondContact OH-CB 3.37Å; Y33-S75 PolarHBondContact OH-OG 2.86Å; Y33-I98 HydrophobicContact CD2-CG2 4.35Å; Y33-I98 HydrophobicContact CG-CG2 4.42Å; Y33-H100 HydrophobicContact CE1-CB 3.88Å
34P90.9Very high91.9Very high60 Ų6047.9 Ų47.939%0.3926%0.261SS..THydrogen-bonded Turntrans-62.8-26.5-172.9-21.433.4000113R32 S36 R43R32-P34 WeakPolarHBondContact O-CD 3.21Å; P34-S36 VanDerWaalsContact C-N 3.28Å; P34-R43 PolarHBondContact O-NH1 3.43Å; P34-R43 PolarHBondContact O-NH2 2.93Å
35D91.6Very high91.2Very high151 Ų15149 Ų4981%0.80726%0.261SS*.THydrogen-bonded Turntrans-85.5-2.5-179-52-32.4000112.8Y33Y33-D35 PolarHBondContact O-N 2.83Å
36S95Very high90.7Very high3 Ų351.7 Ų51.72%0.02128%0.275CS..SBendtrans-79.8163174.4730000112Y33 P34 L38 G39 A40 Y96 Q97Y33-S36 WeakPolarHBondContact O-CB 3.23Å; Y33-S36 PolarHBondContact O-N 2.92Å; Y33-S36 PolarHBondContact O-OG 2.98Å; P34-S36 VanDerWaalsContact C-N 3.28Å; S36-L38 VanDerWaalsContact C-N 3.29Å; S36-L38 PolarHBondContact O-N 3Å; S36-G39 WeakPolarHBondContact O-CA 3.45Å; S36-G39 PolarHBondContact O-N 3.25Å; S36-G39 VanDerWaalsContact O-N 3.07Å; S36-G39 PolarHBondContact OG-N 3.48Å; S36-G39 VanDerWaalsContact OG-N 3.08Å; S36-A40 PolarHBondContact O-N 3.38Å; S36-Y96 WeakPolarHBondContact CB-O 3.19Å; S36-Q97 WeakPolarHBondContact CA-O 3.24Å
37L93.8Very high90.2Very high43 Ų4356.4 Ų56.423%0.22531%0.305CS..Hα-helixtrans-57.3-43.7175.6-17966.3000111.4G39 A40 M41 L46 F95 Y96L37-G39 VanDerWaalsContact C-N 3.33Å; L37-A40 PolarHBondContact O-N 3.19Å; L37-M41 HydrophobicContact CG-CG 4.47Å; L37-M41 HydrophobicContact CG-SD 4.11Å; L37-M41 WeakPolarHBondContact O-CB 3.41Å; L37-M41 VanDerWaalsContact O-CG 3.25Å; L37-M41 WeakPolarHBondContact O-CG 3.3Å; L37-M41 PolarHBondContact O-N 3.24Å; L37-L46 HydrophobicContact CD1-CD1 3.5Å; L37-L46 VanDerWaalsContact CD1-CD1 3.5Å; L37-F95 HydrophobicContact CD2-CD1 4.17Å; L37-F95 HydrophobicContact CD2-CE1 3.63Å; L37-F95 HydrophobicContact CD2-CZ 3.87Å; L37-F95 WeakPolarHBondContact CD2-O 3.24Å; L37-Y96 WeakPolarHBondContact CB-O 3.21Å; L37-Y96 PolarHBondContact N-O 2.82Å
38L93.8Very high90.1Very high0 Ų056.4 Ų56.40%031%0.307CS..Hα-helixtrans-65.7-38.1176.9-66.5170.1000111.2L30 S36 M41 F42 I58 F65 I68 L72 Y96L30-L38 HydrophobicContact CD2-CD1 4.4Å; L30-L38 CarbonylContact O-C 3.58Å; S36-L38 VanDerWaalsContact C-N 3.29Å; S36-L38 PolarHBondContact O-N 3Å; L38-M41 HydrophobicContact CD2-SD 4.35Å; L38-M41 PolarHBondContact O-N 2.97Å; L38-F42 HydrophobicContact CD2-CE2 4.25Å; L38-F42 WeakPolarHBondContact O-CB 3.48Å; L38-F42 VanDerWaalsContact O-CD2 3.29Å; L38-F42 WeakPolarHBondContact O-CD2 3.39Å; L38-F42 PolarHBondContact O-N 3.49Å; L38-I58 HydrophobicContact CD2-CD1 3.88Å; L38-F65 HydrophobicContact CD1-CE2 4.06Å; L38-F65 HydrophobicContact CD1-CZ 4.35Å; L38-I68 HydrophobicContact CD1-CG2 4.46Å; L38-L72 HydrophobicContact CD1-CD1 3.69Å; L38-Y96 HydrophobicContact CD1-CD1 3.93Å; L38-Y96 HydrophobicContact CD1-CE1 4.43Å; L38-Y96 HydrophobicContact CD1-CG 4.34Å; L38-Y96 HydrophobicContact CD2-CD1 4.07Å; L38-Y96 HydrophobicContact CD2-CE1 4.17Å; L38-Y96 HydrophobicContact CG-CD1 3.8Å; L38-Y96 HydrophobicContact CG-CE1 4.36Å
39G91.9Very high90.1Very high0 Ų057.4 Ų57.40%031%0.31CS..Hα-helixtrans-55.9-52.3172.200000111.6L30 S36 L37 F42 R43L30-G39 PolarHBondContact O-N 3Å; S36-G39 WeakPolarHBondContact O-CA 3.45Å; S36-G39 PolarHBondContact O-N 3.25Å; S36-G39 VanDerWaalsContact O-N 3.07Å; S36-G39 PolarHBondContact OG-N 3.48Å; S36-G39 VanDerWaalsContact OG-N 3.08Å; L37-G39 VanDerWaalsContact C-N 3.33Å; G39-F42 PolarHBondContact O-N 3.1Å; G39-R43 WeakPolarHBondContact O-CB 3.38Å; G39-R43 VanDerWaalsContact O-CG 3.3Å; G39-R43 WeakPolarHBondContact O-CG 3.44Å; G39-R43 PolarHBondContact O-N 3.36Å
40A91.8Very high90.1Very high16 Ų1662.1 Ų62.113%0.13233%0.329CS..Hα-helixtrans-63-46.8178.400000112.8S36 L37 F42 R43 G44 D45 L46S36-A40 PolarHBondContact O-N 3.38Å; L37-A40 PolarHBondContact O-N 3.19Å; A40-F42 VanDerWaalsContact C-N 3.33Å; A40-F42 PolarHBondContact O-N 3.32Å; A40-R43 PolarHBondContact O-N 3.09Å; A40-G44 PolarHBondContact O-N 3.31Å; A40-D45 HydrophobicContact CB-CB 4.21Å; A40-D45 WeakPolarHBondContact O-CB 3.17Å; A40-D45 PolarHBondContact O-N 2.67Å; A40-L46 HydrophobicContact CB-CD1 3.65Å; A40-L46 HydrophobicContact CB-CG 4.06Å
41M90.8Very high90.1Very high27 Ų2763.6 Ų63.613%0.13334%0.337CS..Hα-helixtrans-55.5-47.4176.8-74.1175.474.800111.9L37 L38 G44 L46 T48 I58L37-M41 HydrophobicContact CG-CG 4.47Å; L37-M41 HydrophobicContact CG-SD 4.11Å; L37-M41 WeakPolarHBondContact O-CB 3.41Å; L37-M41 VanDerWaalsContact O-CG 3.25Å; L37-M41 WeakPolarHBondContact O-CG 3.3Å; L37-M41 PolarHBondContact O-N 3.24Å; L38-M41 HydrophobicContact CD2-SD 4.35Å; L38-M41 PolarHBondContact O-N 2.97Å; M41-G44 PolarHBondContact O-N 3.31Å; M41-L46 HydrophobicContact CG-CB 4.17Å; M41-L46 HydrophobicContact CG-CD1 4.08Å; M41-T48 HydrophobicContact CB-CG2 4.09Å; M41-T48 HydrophobicContact CE-CG2 3.96Å; M41-T48 HydrophobicContact CG-CG2 4.46Å; M41-I58 HydrophobicContact CE-CD1 4.49Å; M41-I58 HydrophobicContact CE-CG1 4.35Å
42F89.6Confident90Very high11 Ų1164.6 Ų64.65%0.04836%0.361CS..Hα-helixtrans-88.6-6.7-175-72.7-79.9000113.7V14 L16 L27 L30 R31 L38 G39 A40 G44 Y56V14-F42 HydrophobicContact CG1-CD1 4.46Å; V14-F42 HydrophobicContact CG1-CE1 3.71Å; V14-F42 HydrophobicContact CG1-CZ 4.26Å; L16-F42 HydrophobicContact CD2-CE2 3.86Å; L16-F42 HydrophobicContact CD2-CZ 3.54Å; L27-F42 HydrophobicContact CD2-CB 4.11Å; L27-F42 HydrophobicContact CD2-CD1 3.79Å; L27-F42 HydrophobicContact CD2-CG 4.31Å; L30-F42 HydrophobicContact CB-CB 4.37Å; L30-F42 HydrophobicContact CB-CD2 3.88Å; L30-F42 HydrophobicContact CB-CE2 4.49Å; L30-F42 HydrophobicContact CB-CG 4.1Å; L30-F42 HydrophobicContact CD1-CD1 4Å; L30-F42 HydrophobicContact CD1-CD2 3.82Å; L30-F42 HydrophobicContact CD1-CE1 3.89Å; L30-F42 HydrophobicContact CD1-CE2 3.73Å; L30-F42 HydrophobicContact CD1-CG 3.98Å; L30-F42 HydrophobicContact CD1-CZ 3.78Å; L30-F42 HydrophobicContact CD2-CE2 4.35Å; L30-F42 HydrophobicContact CG-CD2 4.28Å; L30-F42 HydrophobicContact CG-CE2 4.41Å; R31-F42 HydrophobicContact CG-CB 4.17Å; R31-F42 PolarHBondContact NE-O 2.91Å; R31-F42 PolarHBondContact NH2-O 3.33Å; L38-F42 HydrophobicContact CD2-CE2 4.25Å; L38-F42 WeakPolarHBondContact O-CB 3.48Å; L38-F42 VanDerWaalsContact O-CD2 3.29Å; L38-F42 WeakPolarHBondContact O-CD2 3.39Å; L38-F42 PolarHBondContact O-N 3.49Å; G39-F42 PolarHBondContact O-N 3.1Å; A40-F42 VanDerWaalsContact C-N 3.33Å; A40-F42 PolarHBondContact O-N 3.32Å; F42-G44 VanDerWaalsContact C-N 3.33Å; F42-Y56 HydrophobicContact CE1-CD1 4.04Å; F42-Y56 AromaticContact CE1-CD2 3.63Å; F42-Y56 HydrophobicContact CE1-CD2 3.63Å; F42-Y56 HydrophobicContact CE1-CE1 4.11Å; F42-Y56 AromaticContact CE1-CE2 3.71Å; F42-Y56 HydrophobicContact CE1-CE2 3.71Å; F42-Y56 AromaticContact CE1-CG 3.8Å; F42-Y56 HydrophobicContact CE1-CG 3.8Å; F42-Y56 AromaticContact CE1-CZ 3.94Å; F42-Y56 HydrophobicContact CZ-CD1 4.15Å; F42-Y56 AromaticContact CZ-CD2 3.95Å; F42-Y56 HydrophobicContact CZ-CD2 3.95Å; F42-Y56 HydrophobicContact CZ-CE2 4.47Å; F42-Y56 AromaticContact CZ-CG 3.76Å; F42-Y56 HydrophobicContact CZ-CG 3.76Å
43R86.1Confident90.1Very high115 Ų11568.1 Ų68.143%0.43437%0.374SS..Hα-helixtrans-79.5-17.4162.2-77.4-168.6-49.5-140.5-6.6112.8P34 G39 A40 D45P34-R43 PolarHBondContact O-NH1 3.43Å; P34-R43 PolarHBondContact O-NH2 2.93Å; G39-R43 WeakPolarHBondContact O-CB 3.38Å; G39-R43 VanDerWaalsContact O-CG 3.3Å; G39-R43 WeakPolarHBondContact O-CG 3.44Å; G39-R43 PolarHBondContact O-N 3.36Å; A40-R43 PolarHBondContact O-N 3.09Å; R43-D45 IonicContact CZ-OD2 3.27Å; R43-D45 VanDerWaalsContact CZ-OD2 3.27Å; R43-D45 IonicContact NE-OD2 2.82Å; R43-D45 PolarHBondContact NE-OD2 2.95Å; R43-D45 IonicContact NH2-OD2 2.88Å; R43-D45 PolarHBondContact NH2-OD2 3.16Å
44G84.6Confident90.1Very high62 Ų6267.8 Ų67.864%0.63939%0.385SS*.THydrogen-bonded Turntrans93.611.1-175.300000113.4A40 M41 F42 L46A40-G44 PolarHBondContact O-N 3.31Å; M41-G44 PolarHBondContact O-N 3.31Å; F42-G44 VanDerWaalsContact C-N 3.33Å; G44-L46 VanDerWaalsContact C-N 3.27Å; G44-L46 PolarHBondContact O-N 2.92Å
45D80.6Confident90.2Very high95 Ų9565.5 Ų65.551%0.50837%0.369SS..SBendtrans-77-18.4-179.9-53.4-28.3000111.7A40 R43A40-D45 HydrophobicContact CB-CB 4.21Å; A40-D45 WeakPolarHBondContact O-CB 3.17Å; A40-D45 PolarHBondContact O-N 2.67Å; R43-D45 IonicContact CZ-OD2 3.27Å; R43-D45 VanDerWaalsContact CZ-OD2 3.27Å; R43-D45 IonicContact NE-OD2 2.82Å; R43-D45 PolarHBondContact NE-OD2 2.95Å; R43-D45 IonicContact NH2-OD2 2.88Å; R43-D45 PolarHBondContact NH2-OD2 3.16Å
46L85.2Confident90.4Very high70 Ų7061 Ų6137%0.36634%0.342SS..SBendtrans-128.7146.1-177.8-66.1172.3000111.8L37 A40 M41 G44L37-L46 HydrophobicContact CD1-CD1 3.5Å; L37-L46 VanDerWaalsContact CD1-CD1 3.5Å; A40-L46 HydrophobicContact CB-CD1 3.65Å; A40-L46 HydrophobicContact CB-CG 4.06Å; M41-L46 HydrophobicContact CG-CB 4.17Å; M41-L46 HydrophobicContact CG-CD1 4.08Å; G44-L46 VanDerWaalsContact C-N 3.27Å; G44-L46 PolarHBondContact O-N 2.92Å
47P83Confident90.4Very high122 Ų12264.5 Ų64.579%0.79236%0.356SS*.  trans-63.3139.2173.926.8-33.1000110.5
48T87.6Confident90.5Very high56 Ų5662.9 Ų62.934%0.34435%0.348SS..  trans-121139.9178.556.70000110.7M41 Y56M41-T48 HydrophobicContact CB-CG2 4.09Å; M41-T48 HydrophobicContact CE-CG2 3.96Å; M41-T48 HydrophobicContact CG-CG2 4.46Å; T48-Y56 HydrophobicContact CG2-CD1 4.22Å; T48-Y56 HydrophobicContact CG2-CE1 4.29Å; T48-Y56 WeakPolarHBondContact OG1-CE1 3.3Å
49V92.1Very high90.6Very high95 Ų9569.2 Ų69.258%0.57638%0.382SS*.EExtended strand (participates in β ladder)trans-100.1144.3175.5-179.80000108.4Y56 F57V49-Y56 WeakPolarHBondContact O-CA 3.32Å; V49-F57 HydrophobicContact CG1-CB 4.43Å; V49-F57 PolarHBondContact O-N 3.41Å
50K93.4Very high90.9Very high112 Ų11272.7 Ų72.749%0.48740%0.395SS..EExtended strand (participates in β ladder)trans-117145.1172.1-67.9-177.4176.8-175.20110.6N55 Y56K50-N55 CarbonylContact C-O 3.58Å; K50-N55 WeakPolarHBondContact CA-O 3.35Å; K50-Y56 VanDerWaalsContact CE-CZ 3.49Å; K50-Y56 HydrophobicContact CG-CD1 4.29Å
51D92.6Very high91.2Very high31 Ų3174.9 Ų74.917%0.16640%0.404CS..  trans-74.6177171.372.412.2000111.7N17 R53 G54 N55N17-D51 WeakPolarHBondContact CB-OD2 3.42Å; N17-D51 PolarHBondContact ND2-OD2 3.42Å; D51-R53 PolarHBondContact O-N 2.95Å; D51-R53 VanDerWaalsContact OD1-C 3.32Å; D51-R53 WeakPolarHBondContact OD1-CA 3.46Å; D51-R53 WeakPolarHBondContact OD1-CB 3.43Å; D51-R53 PolarHBondContact OD1-N 3.28Å; D51-G54 PolarHBondContact O-N 2.92Å; D51-G54 PolarHBondContact OD1-N 2.92Å; D51-N55 PolarHBondContact N-O 3.29Å; D51-N55 PolarHBondContact OD1-N 3.29Å; D51-N55 PolarHBondContact OD1-ND2 3.42Å; D51-N55 WeakPolarHBondContact OD2-CB 3.44Å; D51-N55 PolarHBondContact OD2-ND2 2.99Å
52S91.9Very high91.4Very high128 Ų12873.7 Ų73.790%0.89540%0.399SS*.THydrogen-bonded Turntrans-61.9-13.8179.356.80000114.3
53R92.4Very high91.8Very high186 Ų18677.2 Ų77.270%0.70242%0.423SS*.THydrogen-bonded Turntrans-101.92.8178.5-61.5174.662.3-163.4-1.4112.2D51D51-R53 PolarHBondContact O-N 2.95Å; D51-R53 VanDerWaalsContact OD1-C 3.32Å; D51-R53 WeakPolarHBondContact OD1-CA 3.46Å; D51-R53 WeakPolarHBondContact OD1-CB 3.43Å; D51-R53 PolarHBondContact OD1-N 3.28Å
54G92.4Very high92.3Very high40 Ų4071.9 Ų71.941%0.41240%0.403SS..SBendtrans81.68.5179.300000114.8D51D51-G54 PolarHBondContact O-N 2.92Å; D51-G54 PolarHBondContact OD1-N 2.92Å
55N93.9Very high92.9Very high13 Ų1368.9 Ų68.97%0.0737%0.372CS..PPolyproline II helixtrans-78.1142.9174.7-49.5-60.2000109.8S15 N17 K50 D51 F57S15-N55 WeakPolarHBondContact CB-OD1 3.22Å; S15-N55 WeakPolarHBondContact O-CA 3.47Å; N17-N55 HydrophobicContact CB-CB 3.97Å; K50-N55 CarbonylContact C-O 3.58Å; K50-N55 WeakPolarHBondContact CA-O 3.35Å; D51-N55 PolarHBondContact N-O 3.29Å; D51-N55 PolarHBondContact OD1-N 3.29Å; D51-N55 PolarHBondContact OD1-ND2 3.42Å; D51-N55 WeakPolarHBondContact OD2-CB 3.44Å; D51-N55 PolarHBondContact OD2-ND2 2.99Å; N55-F57 PolarHBondContact O-N 3.24Å
56Y95.1Very high93.6Very high57 Ų5769.9 Ų69.922%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-63.8119.2172.4-70.9-83000110.1V14 S15 L16 N17 F42 T48 V49 K50V14-Y56 HydrophobicContact CG1-CD2 3.68Å; V14-Y56 HydrophobicContact CG1-CE2 3.79Å; S15-Y56 PolarHBondContact O-N 2.72Å; L16-Y56 CarbonylContact C-O 3.58Å; L16-Y56 VanDerWaalsContact CA-O 3.31Å; L16-Y56 WeakPolarHBondContact CA-O 3.5Å; N17-Y56 PolarHBondContact N-O 3.46Å; F42-Y56 HydrophobicContact CE1-CD1 4.04Å; F42-Y56 AromaticContact CE1-CD2 3.63Å; F42-Y56 HydrophobicContact CE1-CD2 3.63Å; F42-Y56 HydrophobicContact CE1-CE1 4.11Å; F42-Y56 AromaticContact CE1-CE2 3.71Å; F42-Y56 HydrophobicContact CE1-CE2 3.71Å; F42-Y56 AromaticContact CE1-CG 3.8Å; F42-Y56 HydrophobicContact CE1-CG 3.8Å; F42-Y56 AromaticContact CE1-CZ 3.94Å; F42-Y56 HydrophobicContact CZ-CD1 4.15Å; F42-Y56 AromaticContact CZ-CD2 3.95Å; F42-Y56 HydrophobicContact CZ-CD2 3.95Å; F42-Y56 HydrophobicContact CZ-CE2 4.47Å; F42-Y56 AromaticContact CZ-CG 3.76Å; F42-Y56 HydrophobicContact CZ-CG 3.76Å; T48-Y56 HydrophobicContact CG2-CD1 4.22Å; T48-Y56 HydrophobicContact CG2-CE1 4.29Å; T48-Y56 WeakPolarHBondContact OG1-CE1 3.3Å; V49-Y56 WeakPolarHBondContact O-CA 3.32Å; K50-Y56 VanDerWaalsContact CE-CZ 3.49Å; K50-Y56 HydrophobicContact CG-CD1 4.29Å
57F96Very high94.2Very high75 Ų7567.7 Ų67.733%0.32936%0.356SS..EExtended strand (participates in β ladder)trans-93.1132.4-174.5-178.5-106.6000111.5N17 V49 N55 D59N17-F57 HydrophobicContact CB-CD2 4.2Å; N17-F57 CarbonylContact O-C 3.5Å; N17-F57 WeakPolarHBondContact O-CA 3.38Å; V49-F57 HydrophobicContact CG1-CB 4.43Å; V49-F57 PolarHBondContact O-N 3.41Å; N55-F57 PolarHBondContact O-N 3.24Å; F57-D59 HydrophobicContact CE1-CB 3.86Å; F57-D59 HydrophobicContact CZ-CB 4.09Å
58I96.3Very high94.8Very high10 Ų1061.9 Ų61.95%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-132.5118.1176.9-56.9178.4000107.6L16 N17 V18 G19 L38 M41 R60 F95 Y96L16-I58 HydrophobicContact CD2-CD1 4Å; N17-I58 PolarHBondContact O-N 2.98Å; V18-I58 CarbonylContact C-O 3.57Å; V18-I58 VanDerWaalsContact CA-O 3.3Å; V18-I58 WeakPolarHBondContact CA-O 3.33Å; V18-I58 HydrophobicContact CG1-CB 4.32Å; V18-I58 HydrophobicContact CG1-CG2 4.32Å; V18-I58 HydrophobicContact CG2-CB 4.21Å; V18-I58 HydrophobicContact CG2-CD1 4.3Å; G19-I58 PolarHBondContact N-O 2.67Å; L38-I58 HydrophobicContact CD2-CD1 3.88Å; M41-I58 HydrophobicContact CE-CD1 4.49Å; M41-I58 HydrophobicContact CE-CG1 4.35Å; I58-R60 HydrophobicContact CG2-CB 3.91Å; I58-R60 HydrophobicContact CG2-CG 3.53Å; I58-R60 PolarHBondContact O-N 2.67Å; I58-F95 HydrophobicContact CG2-CE1 4.43Å; I58-Y96 HydrophobicContact CD1-CE1 4.36Å; I58-Y96 HydrophobicContact CG2-CE1 4.13Å
59D95.9Very high95.3Very high132 Ų13259.3 Ų59.371%0.70630%0.303SS*.  trans-8366-178.7-16924.3000111.5F57F57-D59 HydrophobicContact CE1-CB 3.86Å; F57-D59 HydrophobicContact CZ-CB 4.09Å
60R97.3Very high95.4Very high74 Ų7457.5 Ų57.528%0.27929%0.29SS..SBendtrans-137.2175.3-176.8-63.4-57.2-59.8177.2-1111.6V18 G19 I58 G62 E92 F95 Y96V18-R60 CarbonylContact C-O 3.46Å; V18-R60 HydrophobicContact CG1-CB 3.99Å; G19-R60 WeakPolarHBondContact CA-O 3.26Å; G19-R60 PolarHBondContact N-O 2.95Å; I58-R60 HydrophobicContact CG2-CB 3.91Å; I58-R60 HydrophobicContact CG2-CG 3.53Å; I58-R60 PolarHBondContact O-N 2.67Å; R60-G62 PolarHBondContact O-N 2.66Å; R60-G62 VanDerWaalsContact O-N 3.08Å; R60-E92 IonicContact CZ-OE1 3.56Å; R60-E92 IonicContact CZ-OE2 3.53Å; R60-E92 IonicContact NE-OE1 3.67Å; R60-E92 IonicContact NE-OE2 2.91Å; R60-E92 PolarHBondContact NE-OE2 3.04Å; R60-E92 IonicContact NH2-OE1 2.71Å; R60-E92 PolarHBondContact NH2-OE1 3.48Å; R60-E92 IonicContact NH2-OE2 3.29Å; R60-E92 PolarHBondContact NH2-OE2 3.41Å; R60-F95 HydrophobicContact CG-CD1 3.72Å; R60-F95 HydrophobicContact CG-CE1 3.39Å; R60-F95 HydrophobicContact CG-CE2 4.45Å; R60-F95 HydrophobicContact CG-CG 4.39Å; R60-F95 HydrophobicContact CG-CZ 3.8Å; R60-Y96 WeakPolarHBondContact CB-OH 3.45Å
61D97.5Very high95.5Very high61 Ų6152.2 Ų52.233%0.32627%0.267SS..  trans-66.7106.3179.7-168.5-62.7000111.6P63 L64 F65 E92D61-P63 WeakPolarHBondContact OD1-CD 3.27Å; D61-L64 HydrophobicContact CB-CB 4.2Å; D61-L64 HydrophobicContact CB-CD1 4.19Å; D61-L64 HydrophobicContact CB-CG 4.42Å; D61-L64 WeakPolarHBondContact OD1-CB 3.31Å; D61-L64 WeakPolarHBondContact OD1-CG 3.4Å; D61-L64 PolarHBondContact OD1-N 2.86Å; D61-F65 WeakPolarHBondContact O-CB 3.25Å; D61-F65 PolarHBondContact O-N 2.88Å; D61-F65 VanDerWaalsContact O-N 3.11Å; D61-E92 HydrophobicContact CB-CG 4.49Å
62G96.6Very high95.6Very high2 Ų250.8 Ų50.82%0.02126%0.259CS..Hα-helixtrans-58.4-56.117800000113.2V18 Y23 R60 L64 F65V18-G62 WeakPolarHBondContact O-CA 3.29Å; Y23-G62 PolarHBondContact OH-O 2.93Å; R60-G62 PolarHBondContact O-N 2.66Å; R60-G62 VanDerWaalsContact O-N 3.08Å; G62-L64 VanDerWaalsContact C-N 3.32Å; G62-L64 PolarHBondContact O-N 2.9Å; G62-F65 VanDerWaalsContact O-CB 3.23Å; G62-F65 WeakPolarHBondContact O-CB 3.47Å; G62-F65 PolarHBondContact O-N 3.29Å
63P96.4Very high95.6Very high85 Ų8550 Ų5055%0.55224%0.236SC*.Hα-helixtrans-51.1-44.8179.1-30.335.7000114.7D61 F65 R66D61-P63 WeakPolarHBondContact OD1-CD 3.27Å; P63-F65 VanDerWaalsContact C-N 3.35Å; P63-R66 WeakPolarHBondContact O-CB 3.24Å; P63-R66 PolarHBondContact O-N 2.79Å
64L96.6Very high95.5Very high3 Ų343.7 Ų43.72%0.01622%0.221CC..Hα-helixtrans-71-30178.4-68.8177.3000112.7D61 G62 R66 Y67 F83 E85 L88 L89 E92D61-L64 HydrophobicContact CB-CB 4.2Å; D61-L64 HydrophobicContact CB-CD1 4.19Å; D61-L64 HydrophobicContact CB-CG 4.42Å; D61-L64 WeakPolarHBondContact OD1-CB 3.31Å; D61-L64 WeakPolarHBondContact OD1-CG 3.4Å; D61-L64 PolarHBondContact OD1-N 2.86Å; G62-L64 VanDerWaalsContact C-N 3.32Å; G62-L64 PolarHBondContact O-N 2.9Å; L64-R66 PolarHBondContact O-N 3.46Å; L64-R66 VanDerWaalsContact O-N 3.1Å; L64-Y67 HydrophobicContact CD2-CD2 4.3Å; L64-Y67 HydrophobicContact CD2-CE2 4.32Å; L64-Y67 WeakPolarHBondContact O-CD2 3.34Å; L64-Y67 PolarHBondContact O-N 3.23Å; L64-F83 HydrophobicContact CD2-CE2 4.35Å; L64-F83 HydrophobicContact CD2-CZ 3.76Å; L64-E85 HydrophobicContact CD2-CB 4.16Å; L64-L88 HydrophobicContact CD1-CB 3.57Å; L64-L89 HydrophobicContact CD2-CB 4.45Å; L64-E92 HydrophobicContact CB-CG 4.02Å; L64-E92 HydrophobicContact CD1-CG 4.02Å
65F97.8Very high95.3Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-57.7-26.1176.4-172.1-104.5000113.2L16 V18 Y23 L38 D61 G62 P63 Y67 I68 L69 Y96L16-F65 HydrophobicContact CD1-CE1 4.07Å; L16-F65 HydrophobicContact CD1-CZ 4.18Å; V18-F65 HydrophobicContact CB-CB 4.3Å; V18-F65 HydrophobicContact CB-CD1 4.33Å; V18-F65 HydrophobicContact CB-CG 4.22Å; V18-F65 HydrophobicContact CG1-CB 3.89Å; V18-F65 HydrophobicContact CG1-CD2 4.27Å; V18-F65 HydrophobicContact CG1-CG 4.01Å; V18-F65 HydrophobicContact CG2-CB 4.48Å; V18-F65 HydrophobicContact CG2-CD1 3.67Å; V18-F65 HydrophobicContact CG2-CD2 4.24Å; V18-F65 HydrophobicContact CG2-CE1 3.86Å; V18-F65 HydrophobicContact CG2-CE2 4.39Å; V18-F65 HydrophobicContact CG2-CG 3.86Å; V18-F65 HydrophobicContact CG2-CZ 4.22Å; Y23-F65 HydrophobicContact CD1-CD1 4.44Å; Y23-F65 AromaticContact CD2-CD1 3.62Å; Y23-F65 HydrophobicContact CD2-CD1 3.62Å; Y23-F65 HydrophobicContact CD2-CE1 4.18Å; Y23-F65 HydrophobicContact CE2-CB 4.28Å; Y23-F65 AromaticContact CE2-CD1 3.8Å; Y23-F65 HydrophobicContact CE2-CD1 3.8Å; Y23-F65 AromaticContact CG-CD1 3.97Å; Y23-F65 HydrophobicContact CG-CD1 3.97Å; Y23-F65 HydrophobicContact CG-CE1 4.25Å; L38-F65 HydrophobicContact CD1-CE2 4.06Å; L38-F65 HydrophobicContact CD1-CZ 4.35Å; D61-F65 WeakPolarHBondContact O-CB 3.25Å; D61-F65 PolarHBondContact O-N 2.88Å; D61-F65 VanDerWaalsContact O-N 3.11Å; G62-F65 VanDerWaalsContact O-CB 3.23Å; G62-F65 WeakPolarHBondContact O-CB 3.47Å; G62-F65 PolarHBondContact O-N 3.29Å; P63-F65 VanDerWaalsContact C-N 3.35Å; F65-Y67 PolarHBondContact O-N 2.74Å; F65-I68 HydrophobicContact CD2-CB 4.1Å; F65-I68 HydrophobicContact CD2-CG1 4.49Å; F65-I68 HydrophobicContact CD2-CG2 4.27Å; F65-I68 HydrophobicContact CE2-CB 4.45Å; F65-I68 HydrophobicContact CE2-CG2 4.16Å; F65-I68 WeakPolarHBondContact O-CB 3.29Å; F65-I68 PolarHBondContact O-N 3.07Å; F65-L69 HydrophobicContact CD1-CB 4.37Å; F65-L69 HydrophobicContact CE1-CB 4.14Å; F65-L69 HydrophobicContact CE1-CD2 4.37Å; F65-L69 WeakPolarHBondContact O-CB 3.43Å; F65-L69 PolarHBondContact O-N 3.33Å; F65-Y96 HydrophobicContact CD2-CE1 4.22Å; F65-Y96 AromaticContact CD2-CE2 3.69Å; F65-Y96 HydrophobicContact CD2-CE2 3.69Å; F65-Y96 AromaticContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-OH 3.23Å; F65-Y96 WeakPolarHBondContact CD2-OH 3.49Å; F65-Y96 AromaticContact CE2-CE1 3.94Å; F65-Y96 HydrophobicContact CE2-CE1 3.94Å; F65-Y96 HydrophobicContact CE2-CE2 4.11Å; F65-Y96 AromaticContact CE2-CZ 3.67Å
66R96.6Very high95Very high115 Ų11548.1 Ų48.143%0.43424%0.235SC..Hα-helixtrans-53.9-41.1172.9-177.1175.665.3127.5-6.9112.5Y23 P63 L64 N70Y23-R66 HydrophobicContact CE1-CB 4.15Å; P63-R66 WeakPolarHBondContact O-CB 3.24Å; P63-R66 PolarHBondContact O-N 2.79Å; L64-R66 PolarHBondContact O-N 3.46Å; L64-R66 VanDerWaalsContact O-N 3.1Å; R66-N70 WeakPolarHBondContact O-CB 2.97Å; R66-N70 VanDerWaalsContact O-CG 3.27Å; R66-N70 PolarHBondContact O-N 2.79Å; R66-N70 PolarHBondContact O-ND2 2.81Å
67Y95.9Very high94.6Very high25 Ų2546 Ų4610%0.09823%0.228CC..Hα-helixtrans-74.8-38.3-179.1-56-70.4000111.6L64 F65 L69 N70 F71 L79 P80 F83 L89L64-Y67 HydrophobicContact CD2-CD2 4.3Å; L64-Y67 HydrophobicContact CD2-CE2 4.32Å; L64-Y67 WeakPolarHBondContact O-CD2 3.34Å; L64-Y67 PolarHBondContact O-N 3.23Å; F65-Y67 PolarHBondContact O-N 2.74Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 2.8Å; Y67-N70 PolarHBondContact O-N 2.83Å; Y67-F71 WeakPolarHBondContact O-CB 2.94Å; Y67-F71 PolarHBondContact O-N 2.86Å; Y67-L79 HydrophobicContact CD1-CD2 3.82Å; Y67-L79 HydrophobicContact CE1-CD2 4.37Å; Y67-L79 HydrophobicContact CG-CD2 4.05Å; Y67-P80 VanDerWaalsContact CE1-CD 3.48Å; Y67-P80 HydrophobicContact CE1-CG 3.92Å; Y67-P80 WeakPolarHBondContact OH-CG 3.33Å; Y67-F83 HydrophobicContact CD2-CE2 4.18Å; Y67-F83 HydrophobicContact CD2-CZ 4.14Å; Y67-F83 HydrophobicContact CE2-CD2 4.41Å; Y67-F83 AromaticContact CE2-CE2 3.46Å; Y67-F83 HydrophobicContact CE2-CE2 3.46Å; Y67-F83 VanDerWaalsContact CE2-CE2 3.46Å; Y67-F83 AromaticContact CE2-CZ 3.87Å; Y67-F83 HydrophobicContact CE2-CZ 3.87Å; Y67-F83 AromaticContact CZ-CE2 3.63Å; Y67-L89 HydrophobicContact CD2-CD1 4.42Å; Y67-L89 HydrophobicContact CG-CD2 4.4Å
68I97.4Very high93.9Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-55.8-51.6170.3-56.6-58.2000109.7L38 F65 N70 F71 L72 L89 E92 A93 Y96 I98 L101L38-I68 HydrophobicContact CD1-CG2 4.46Å; F65-I68 HydrophobicContact CD2-CB 4.1Å; F65-I68 HydrophobicContact CD2-CG1 4.49Å; F65-I68 HydrophobicContact CD2-CG2 4.27Å; F65-I68 HydrophobicContact CE2-CB 4.45Å; F65-I68 HydrophobicContact CE2-CG2 4.16Å; F65-I68 WeakPolarHBondContact O-CB 3.29Å; F65-I68 PolarHBondContact O-N 3.07Å; I68-N70 PolarHBondContact O-N 3.12Å; I68-F71 WeakPolarHBondContact O-CB 3.48Å; I68-F71 PolarHBondContact O-N 3.33Å; I68-L72 HydrophobicContact CG2-CD1 4.49Å; I68-L72 WeakPolarHBondContact O-CG 3.16Å; I68-L72 PolarHBondContact O-N 3.14Å; I68-L89 HydrophobicContact CD1-CD1 3.77Å; I68-L89 HydrophobicContact CG1-CD1 4.25Å; I68-E92 HydrophobicContact CD1-CB 4.15Å; I68-E92 HydrophobicContact CG1-CB 4.3Å; I68-A93 HydrophobicContact CD1-CB 4.31Å; I68-Y96 HydrophobicContact CB-CD2 4.46Å; I68-Y96 HydrophobicContact CD1-CD2 4.23Å; I68-Y96 HydrophobicContact CG1-CD2 3.91Å; I68-Y96 HydrophobicContact CG1-CE2 4.06Å; I68-Y96 HydrophobicContact CG2-CD2 3.9Å; I68-Y96 HydrophobicContact CG2-CE2 4.39Å; I68-Y96 HydrophobicContact CG2-CG 4.32Å; I68-I98 HydrophobicContact CG2-CD1 3.57Å; I68-L101 HydrophobicContact CD1-CD2 3.45Å; I68-L101 VanDerWaalsContact CD1-CD2 3.45Å
69L96.9Very high93.3Very high2 Ų245 Ų451%0.0123%0.228CC..Hα-helixtrans-64.2-39.6-177.6-175.560000112.6Y23 T25 T29 F65 Y67 L72 R73Y23-L69 HydrophobicContact CD1-CD2 3.77Å; Y23-L69 HydrophobicContact CG-CD2 4.2Å; T25-L69 HydrophobicContact CG2-CD1 3.95Å; T29-L69 HydrophobicContact CG2-CD1 3.97Å; F65-L69 HydrophobicContact CD1-CB 4.37Å; F65-L69 HydrophobicContact CE1-CB 4.14Å; F65-L69 HydrophobicContact CE1-CD2 4.37Å; F65-L69 WeakPolarHBondContact O-CB 3.43Å; F65-L69 PolarHBondContact O-N 3.33Å; Y67-L69 VanDerWaalsContact C-N 3.33Å; Y67-L69 PolarHBondContact O-N 2.8Å; L69-L72 PolarHBondContact O-N 3.05Å; L69-R73 WeakPolarHBondContact O-CG 3.44Å; L69-R73 PolarHBondContact O-N 2.93Å
70N94.9Very high92.6Very high57 Ų5740.2 Ų40.231%0.30520%0.204SC..Hα-helixtrans-66.5-40.9176-75.5-14.8000111.8R66 Y67 I68 L72 R73 S74R66-N70 WeakPolarHBondContact O-CB 2.97Å; R66-N70 VanDerWaalsContact O-CG 3.27Å; R66-N70 PolarHBondContact O-N 2.79Å; R66-N70 PolarHBondContact O-ND2 2.81Å; Y67-N70 PolarHBondContact O-N 2.83Å; I68-N70 PolarHBondContact O-N 3.12Å; N70-L72 VanDerWaalsContact C-N 3.3Å; N70-L72 PolarHBondContact O-N 2.92Å; N70-R73 WeakPolarHBondContact O-CB 3.5Å; N70-R73 PolarHBondContact O-N 3.26Å; N70-R73 PolarHBondContact OD1-NH1 2.97Å; N70-R73 VanDerWaalsContact OD1-NH1 3.16Å; N70-S74 PolarHBondContact O-N 3.21Å; N70-S74 PolarHBondContact O-OG 2.96Å; N70-S74 VanDerWaalsContact O-OG 3.13Å
71F94.8Very high91Very high1 Ų140.8 Ų40.80%0.00422%0.218CC..Hα-helixtrans-59.1-41.6172.9-178.5-91.4000111.6Y33 Y67 I68 R73 S75 E76 L77 I98 H100 L101Y33-F71 HydrophobicContact CE1-CE1 4.45Å; Y33-F71 HydrophobicContact CE2-CD1 4.08Å; Y33-F71 AromaticContact CE2-CE1 3.61Å; Y33-F71 HydrophobicContact CE2-CE1 3.61Å; Y33-F71 AromaticContact CZ-CE1 3.57Å; Y33-F71 WeakPolarHBondContact OH-CE1 3.15Å; Y67-F71 WeakPolarHBondContact O-CB 2.94Å; Y67-F71 PolarHBondContact O-N 2.86Å; I68-F71 WeakPolarHBondContact O-CB 3.48Å; I68-F71 PolarHBondContact O-N 3.33Å; F71-R73 PolarHBondContact O-N 3.3Å; F71-S75 WeakPolarHBondContact O-CA 3.41Å; F71-S75 PolarHBondContact O-N 3.04Å; F71-E76 VanDerWaalsContact CD2-C 3.5Å; F71-L77 HydrophobicContact CD2-CB 4.16Å; F71-L77 HydrophobicContact CE2-CB 4.4Å; F71-I98 HydrophobicContact CD1-CG2 3.99Å; F71-I98 HydrophobicContact CE1-CG2 3.62Å; F71-H100 HydrophobicContact CE1-CB 4.48Å; F71-H100 HydrophobicContact CZ-CB 4.07Å; F71-H100 AromaticContact CZ-ND1 3.55Å; F71-L101 HydrophobicContact CB-CD1 4.44Å; F71-L101 HydrophobicContact CB-CD2 4.43Å; F71-L101 HydrophobicContact CD1-CB 3.94Å; F71-L101 HydrophobicContact CD1-CD1 4.49Å; F71-L101 HydrophobicContact CD1-CD2 4.33Å; F71-L101 HydrophobicContact CD1-CG 4.48Å; F71-L101 HydrophobicContact CD2-CB 4.37Å; F71-L101 HydrophobicContact CD2-CD1 3.71Å; F71-L101 HydrophobicContact CE1-CB 3.73Å; F71-L101 HydrophobicContact CE2-CB 4.18Å; F71-L101 HydrophobicContact CE2-CD1 4.04Å; F71-L101 HydrophobicContact CG-CB 4.26Å; F71-L101 HydrophobicContact CG-CD1 3.96Å; F71-L101 HydrophobicContact CG-CD2 4.28Å; F71-L101 HydrophobicContact CG-CG 4.39Å; F71-L101 HydrophobicContact CZ-CB 3.85Å
72L94.6Very high89.9Confident0 Ų040.7 Ų40.70%023%0.232CC..Hα-helixtrans-63.9-23.7174.6-64.5177.8000113.5T29 R32 Y33 L38 I68 L69 N70 I98T29-L72 HydrophobicContact CG2-CB 3.69Å; R32-L72 VanDerWaalsContact CD-O 3.24Å; R32-L72 WeakPolarHBondContact CD-O 3.32Å; R32-L72 PolarHBondContact NH1-O 2.9Å; Y33-L72 HydrophobicContact CD2-CD2 3.49Å; Y33-L72 VanDerWaalsContact CD2-CD2 3.49Å; Y33-L72 HydrophobicContact CE2-CD2 4.01Å; L38-L72 HydrophobicContact CD1-CD1 3.69Å; I68-L72 HydrophobicContact CG2-CD1 4.49Å; I68-L72 WeakPolarHBondContact O-CG 3.16Å; I68-L72 PolarHBondContact O-N 3.14Å; L69-L72 PolarHBondContact O-N 3.05Å; N70-L72 VanDerWaalsContact C-N 3.3Å; N70-L72 PolarHBondContact O-N 2.92Å; L72-I98 HydrophobicContact CD2-CD1 3.96Å; L72-I98 HydrophobicContact CG-CD1 4.42Å
73R93Very high89.4Confident111 Ų11142.1 Ų42.142%0.41924%0.237SC..Hα-helixtrans-84.2-41.4179.4-72.2170.5175.6152.9-5.4113S24 T29 R32 L69 N70 F71S24-R73 PolarHBondContact O-NH2 2.94Å; T29-R73 HydrophobicContact CG2-CG 3.67Å; R32-R73 PolarHBondContact NH1-O 3.32Å; L69-R73 WeakPolarHBondContact O-CG 3.44Å; L69-R73 PolarHBondContact O-N 2.93Å; N70-R73 WeakPolarHBondContact O-CB 3.5Å; N70-R73 PolarHBondContact O-N 3.26Å; N70-R73 PolarHBondContact OD1-NH1 2.97Å; N70-R73 VanDerWaalsContact OD1-NH1 3.16Å; F71-R73 PolarHBondContact O-N 3.3Å
74S88.7Confident88.9Confident54 Ų5447.5 Ų47.538%0.37825%0.252SS..Hα-helixtrans-103.4-17.7-175.457.20000114.1N70 E76N70-S74 PolarHBondContact O-N 3.21Å; N70-S74 PolarHBondContact O-OG 2.96Å; N70-S74 VanDerWaalsContact O-OG 3.13Å; S74-E76 PolarHBondContact O-N 2.68Å; S74-E76 PolarHBondContact OG-N 3.03Å; S74-E76 PolarHBondContact OG-O 2.88Å
75S89.1Confident88.7Confident45 Ų4551.7 Ų51.732%0.31527%0.272SS..SBendtrans59.719.2-164.7-53.40000113.6R32 Y33 F71R32-S75 WeakPolarHBondContact CD-OG 3.28Å; Y33-S75 WeakPolarHBondContact OH-CB 3.37Å; Y33-S75 PolarHBondContact OH-OG 2.86Å; F71-S75 WeakPolarHBondContact O-CA 3.41Å; F71-S75 PolarHBondContact O-N 3.04Å
76E86.6Confident88.4Confident102 Ų10254.2 Ų54.248%0.47729%0.287SS..SBendtrans-124.6137-178.4-67.2-178176.300110.4F71 S74 T78F71-E76 VanDerWaalsContact CD2-C 3.5Å; S74-E76 PolarHBondContact O-N 2.68Å; S74-E76 PolarHBondContact OG-N 3.03Å; S74-E76 PolarHBondContact OG-O 2.88Å; E76-T78 PolarHBondContact O-N 2.93Å
77L88.1Confident88.1Confident12 Ų1252.1 Ų52.16%0.06330%0.295CS..  trans-83.4101.8176.7177.353.7000110.4F71 L79 L89 L101 C104 L105 L111F71-L77 HydrophobicContact CD2-CB 4.16Å; F71-L77 HydrophobicContact CE2-CB 4.4Å; L77-L79 HydrophobicContact CD1-CD1 4.09Å; L77-L79 HydrophobicContact CD1-CD2 3.75Å; L77-L79 HydrophobicContact CD1-CG 3.72Å; L77-L79 HydrophobicContact CD2-CD1 4.41Å; L77-L79 HydrophobicContact CG-CD1 4.31Å; L77-L79 HydrophobicContact CG-CG 4.15Å; L77-L89 HydrophobicContact CD1-CD2 4.46Å; L77-L101 HydrophobicContact CB-CD1 4.27Å; L77-L101 HydrophobicContact CD1-CD1 3.6Å; L77-L101 HydrophobicContact CD2-CD1 3.98Å; L77-L101 HydrophobicContact CG-CD1 4.16Å; L77-C104 HydrophobicContact CB-CB 4.04Å; L77-C104 HydrophobicContact CD2-CB 3.74Å; L77-L105 HydrophobicContact CD2-CD2 3.58Å; L77-L105 HydrophobicContact CD2-CG 3.7Å; L77-L111 HydrophobicContact CB-CD2 4.41Å; L77-L111 HydrophobicContact CD2-CD1 3.45Å; L77-L111 VanDerWaalsContact CD2-CD1 3.45Å; L77-L111 HydrophobicContact CD2-CD2 3.71Å; L77-L111 HydrophobicContact CD2-CG 4.19Å; L77-L111 HydrophobicContact CG-CD1 4.06Å; L77-L111 HydrophobicContact CG-CD2 4.25Å
78T80.8Confident88.1Confident53 Ų5354.6 Ų54.633%0.32531%0.309SS..  trans-109113.1176.7-48.90000110.4E76 Y114E76-T78 PolarHBondContact O-N 2.93Å; T78-Y114 HydrophobicContact CG2-CD2 3.86Å
79L84.7Confident88.1Confident12 Ų1254.6 Ų54.66%0.06331%0.309CS..  trans-118.1147177.8-59.9177.9000111.2Y67 L77 F83 T86 L89 L105 L111Y67-L79 HydrophobicContact CD1-CD2 3.82Å; Y67-L79 HydrophobicContact CE1-CD2 4.37Å; Y67-L79 HydrophobicContact CG-CD2 4.05Å; L77-L79 HydrophobicContact CD1-CD1 4.09Å; L77-L79 HydrophobicContact CD1-CD2 3.75Å; L77-L79 HydrophobicContact CD1-CG 3.72Å; L77-L79 HydrophobicContact CD2-CD1 4.41Å; L77-L79 HydrophobicContact CG-CD1 4.31Å; L77-L79 HydrophobicContact CG-CG 4.15Å; L79-F83 HydrophobicContact CB-CB 4.23Å; L79-F83 HydrophobicContact CB-CG 4.4Å; L79-F83 HydrophobicContact CD1-CD1 3.9Å; L79-F83 HydrophobicContact CD1-CE1 4.36Å; L79-F83 HydrophobicContact CD2-CD1 4.27Å; L79-F83 HydrophobicContact CD2-CE1 4.26Å; L79-F83 HydrophobicContact CG-CD1 4.47Å; L79-T86 HydrophobicContact CD1-CG2 4.46Å; L79-L89 HydrophobicContact CD1-CD2 4.21Å; L79-L89 HydrophobicContact CD2-CD2 3.39Å; L79-L89 HydrophobicContact CG-CD2 4.42Å; L79-L105 HydrophobicContact CD1-CD2 4.25Å; L79-L111 HydrophobicContact CD1-CD1 4.03Å
80P80.4Confident88Confident31 Ų3158.9 Ų58.920%0.20133%0.325CS..  trans-59.7149172-20.232.2000110.8Y67 G82 F83Y67-P80 VanDerWaalsContact CE1-CD 3.48Å; Y67-P80 HydrophobicContact CE1-CG 3.92Å; Y67-P80 WeakPolarHBondContact OH-CG 3.33Å; P80-G82 PolarHBondContact O-N 2.97Å; P80-F83 VanDerWaalsContact O-CB 3.31Å; P80-F83 WeakPolarHBondContact O-CB 3.43Å; P80-F83 PolarHBondContact O-N 2.84Å; P80-F83 VanDerWaalsContact O-N 3.16Å
81C64.3Low88.1Confident86 Ų8662.6 Ų62.658%0.58134%0.339SS*.THydrogen-bonded Turntrans-57.4136.6170.7-1710000110.2F83 P115C81-F83 VanDerWaalsContact C-N 3.26Å; C81-F83 PolarHBondContact O-N 2.79Å; C81-P115 HydrophobicContact CB-CB 4.39Å
82G73.6Confident88.2Confident59 Ų5963.2 Ų63.261%0.60834%0.341SS*.THydrogen-bonded Turntrans70.318.3-178.700000114.6P80 K84P80-G82 PolarHBondContact O-N 2.97Å; G82-K84 VanDerWaalsContact O-CG 3.24Å; G82-K84 WeakPolarHBondContact O-CG 3.47Å; G82-K84 PolarHBondContact O-N 2.97Å
83F85.2Confident88.3Confident31 Ų3163.2 Ų63.214%0.13634%0.341CS..  trans-54.5112.6174-172.9-108.4000110.9L64 Y67 L79 P80 C81 E85 T86 L89L64-F83 HydrophobicContact CD2-CE2 4.35Å; L64-F83 HydrophobicContact CD2-CZ 3.76Å; Y67-F83 HydrophobicContact CD2-CE2 4.18Å; Y67-F83 HydrophobicContact CD2-CZ 4.14Å; Y67-F83 HydrophobicContact CE2-CD2 4.41Å; Y67-F83 AromaticContact CE2-CE2 3.46Å; Y67-F83 HydrophobicContact CE2-CE2 3.46Å; Y67-F83 VanDerWaalsContact CE2-CE2 3.46Å; Y67-F83 AromaticContact CE2-CZ 3.87Å; Y67-F83 HydrophobicContact CE2-CZ 3.87Å; Y67-F83 AromaticContact CZ-CE2 3.63Å; L79-F83 HydrophobicContact CB-CB 4.23Å; L79-F83 HydrophobicContact CB-CG 4.4Å; L79-F83 HydrophobicContact CD1-CD1 3.9Å; L79-F83 HydrophobicContact CD1-CE1 4.36Å; L79-F83 HydrophobicContact CD2-CD1 4.27Å; L79-F83 HydrophobicContact CD2-CE1 4.26Å; L79-F83 HydrophobicContact CG-CD1 4.47Å; P80-F83 VanDerWaalsContact O-CB 3.31Å; P80-F83 WeakPolarHBondContact O-CB 3.43Å; P80-F83 PolarHBondContact O-N 2.84Å; P80-F83 VanDerWaalsContact O-N 3.16Å; C81-F83 VanDerWaalsContact C-N 3.26Å; C81-F83 PolarHBondContact O-N 2.79Å; F83-E85 HydrophobicContact CE1-CB 4.02Å; F83-E85 HydrophobicContact CE2-CB 4.08Å; F83-E85 HydrophobicContact CZ-CB 3.68Å; F83-T86 PolarHBondContact O-OG1 2.87Å; F83-L89 HydrophobicContact CE1-CB 3.9Å; F83-L89 HydrophobicContact CE1-CD2 3.88Å; F83-L89 HydrophobicContact CZ-CB 4.15Å; F83-L89 HydrophobicContact CZ-CD2 4.2Å
84K86.9Confident88.5Confident199 Ų19962.2 Ų62.287%0.86534%0.344SS*.  trans-89.8-14.2-174.3-58.2-171.8-179.8175.10113.1G82 T86G82-K84 VanDerWaalsContact O-CG 3.24Å; G82-K84 WeakPolarHBondContact O-CG 3.47Å; G82-K84 PolarHBondContact O-N 2.97Å; K84-T86 PolarHBondContact O-N 2.7Å
85E92.7Very high88.9Confident91 Ų9163.2 Ų63.243%0.42534%0.342SS..  trans-98.722.5-169.6-62-179.298.100112.4L64 F83 A87 L88 L89L64-E85 HydrophobicContact CD2-CB 4.16Å; F83-E85 HydrophobicContact CE1-CB 4.02Å; F83-E85 HydrophobicContact CE2-CB 4.08Å; F83-E85 HydrophobicContact CZ-CB 3.68Å; E85-A87 PolarHBondContact O-N 2.84Å; E85-L88 HydrophobicContact CB-CB 4.33Å; E85-L88 HydrophobicContact CB-CD1 4.2Å; E85-L88 HydrophobicContact CG-CD1 4.15Å; E85-L88 WeakPolarHBondContact O-CA 3.31Å; E85-L88 WeakPolarHBondContact O-CB 3.32Å; E85-L88 PolarHBondContact O-N 2.81Å; E85-L89 PolarHBondContact O-N 3.15Å
86T90.9Very high89.3Confident53 Ų5361.1 Ų61.133%0.32533%0.327SS..Hα-helixtrans-56.4-36.6-177.5-31.50000112.5L79 F83 K84 R90 L105L79-T86 HydrophobicContact CD1-CG2 4.46Å; F83-T86 PolarHBondContact O-OG1 2.87Å; K84-T86 PolarHBondContact O-N 2.7Å; T86-R90 WeakPolarHBondContact O-CB 3.3Å; T86-R90 PolarHBondContact O-N 2.86Å; T86-L105 HydrophobicContact CG2-CD2 3.75Å
87A91.6Very high89.7Confident71 Ų7161.4 Ų61.459%0.58733%0.328SS*.Hα-helixtrans-68.3-35.2175.300000112.8E85 K91E85-A87 PolarHBondContact O-N 2.84Å; A87-K91 PolarHBondContact O-N 2.88Å
88L95.5Very high90.1Very high77 Ų7760.9 Ų60.940%0.40333%0.326SS..Hα-helixtrans-73.9-43.5175.9-60.9177.1000110.6L64 E85 R90 K91 E92L64-L88 HydrophobicContact CD1-CB 3.57Å; E85-L88 HydrophobicContact CB-CB 4.33Å; E85-L88 HydrophobicContact CB-CD1 4.2Å; E85-L88 HydrophobicContact CG-CD1 4.15Å; E85-L88 WeakPolarHBondContact O-CA 3.31Å; E85-L88 WeakPolarHBondContact O-CB 3.32Å; E85-L88 PolarHBondContact O-N 2.81Å; L88-R90 PolarHBondContact O-N 2.76Å; L88-K91 WeakPolarHBondContact O-CA 3.32Å; L88-K91 WeakPolarHBondContact O-CB 3.32Å; L88-K91 PolarHBondContact O-N 2.81Å; L88-E92 PolarHBondContact O-N 3.19Å
89L96.1Very high90.6Very high0 Ų063.6 Ų63.60%034%0.335CS..Hα-helixtrans-60-36.4175.1-178.160.6000112L64 Y67 I68 L77 L79 F83 E85 K91 E92 A93 L105L64-L89 HydrophobicContact CD2-CB 4.45Å; Y67-L89 HydrophobicContact CD2-CD1 4.42Å; Y67-L89 HydrophobicContact CG-CD2 4.4Å; I68-L89 HydrophobicContact CD1-CD1 3.77Å; I68-L89 HydrophobicContact CG1-CD1 4.25Å; L77-L89 HydrophobicContact CD1-CD2 4.46Å; L79-L89 HydrophobicContact CD1-CD2 4.21Å; L79-L89 HydrophobicContact CD2-CD2 3.39Å; L79-L89 HydrophobicContact CG-CD2 4.42Å; F83-L89 HydrophobicContact CE1-CB 3.9Å; F83-L89 HydrophobicContact CE1-CD2 3.88Å; F83-L89 HydrophobicContact CZ-CB 4.15Å; F83-L89 HydrophobicContact CZ-CD2 4.2Å; E85-L89 PolarHBondContact O-N 3.15Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.02Å; L89-E92 PolarHBondContact O-N 2.79Å; L89-A93 WeakPolarHBondContact O-CB 3.26Å; L89-A93 PolarHBondContact O-N 2.83Å; L89-L105 HydrophobicContact CD2-CD2 4.1Å; L89-L105 HydrophobicContact CG-CD1 4.27Å; L89-L105 HydrophobicContact CG-CD2 4.46Å
90R95Very high90.9Very high91 Ų9167.3 Ų67.334%0.34335%0.352SS..Hα-helixtrans-60.3-41.1171.6177.5-177.9-72.3-83.60.8112.2T86 L88 E92 A93 D94 I102 L105T86-R90 WeakPolarHBondContact O-CB 3.3Å; T86-R90 PolarHBondContact O-N 2.86Å; L88-R90 PolarHBondContact O-N 2.76Å; R90-E92 VanDerWaalsContact C-N 3.31Å; R90-A93 PolarHBondContact O-N 3.22Å; R90-D94 WeakPolarHBondContact O-CB 3.34Å; R90-D94 PolarHBondContact O-N 3.13Å; R90-I102 PolarHBondContact NH1-O 2.79Å; R90-L105 HydrophobicContact CB-CD1 4.17Å; R90-L105 PolarHBondContact NH2-O 2.92Å
91K96.8Very high91.5Very high136 Ų13665.9 Ų65.959%0.59134%0.342SS*.Hα-helixtrans-64.9-36.4175.9-68.6179178.8-178.40111.8A87 L88 L89 F95A87-K91 PolarHBondContact O-N 2.88Å; L88-K91 WeakPolarHBondContact O-CA 3.32Å; L88-K91 WeakPolarHBondContact O-CB 3.32Å; L88-K91 PolarHBondContact O-N 2.81Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 3.02Å; K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 2.99Å
92E97.9Very high92.8Very high13 Ų1363 Ų636%0.06132%0.321CS..Hα-helixtrans-68.8-43.4173.2-62.5-46.6123.600111.7R60 D61 L64 I68 L88 L89 R90 D94 F95 Y96R60-E92 IonicContact CZ-OE1 3.56Å; R60-E92 IonicContact CZ-OE2 3.53Å; R60-E92 IonicContact NE-OE1 3.67Å; R60-E92 IonicContact NE-OE2 2.91Å; R60-E92 PolarHBondContact NE-OE2 3.04Å; R60-E92 IonicContact NH2-OE1 2.71Å; R60-E92 PolarHBondContact NH2-OE1 3.48Å; R60-E92 IonicContact NH2-OE2 3.29Å; R60-E92 PolarHBondContact NH2-OE2 3.41Å; D61-E92 HydrophobicContact CB-CG 4.49Å; L64-E92 HydrophobicContact CB-CG 4.02Å; L64-E92 HydrophobicContact CD1-CG 4.02Å; I68-E92 HydrophobicContact CD1-CB 4.15Å; I68-E92 HydrophobicContact CG1-CB 4.3Å; L88-E92 PolarHBondContact O-N 3.19Å; L89-E92 PolarHBondContact O-N 2.79Å; R90-E92 VanDerWaalsContact C-N 3.31Å; E92-D94 VanDerWaalsContact C-N 3.26Å; E92-D94 PolarHBondContact O-N 3.15Å; E92-F95 PolarHBondContact O-N 2.91Å; E92-F95 VanDerWaalsContact O-N 3.16Å; E92-Y96 HydrophobicContact CB-CD2 4.34Å; E92-Y96 HydrophobicContact CB-CE2 4.21Å; E92-Y96 WeakPolarHBondContact O-CD2 3.37Å; E92-Y96 PolarHBondContact O-N 3.46Å
93A96.6Very high93.5Very high0 Ų065.4 Ų65.40%032%0.316CS..Hα-helixtrans-58.9-39.5176.200000112.2I68 L89 R90 Q97 I98 L101 I102 L105I68-A93 HydrophobicContact CD1-CB 4.31Å; L89-A93 WeakPolarHBondContact O-CB 3.26Å; L89-A93 PolarHBondContact O-N 2.83Å; R90-A93 PolarHBondContact O-N 3.22Å; A93-Q97 PolarHBondContact O-N 2.8Å; A93-Q97 VanDerWaalsContact O-N 3.1Å; A93-I98 PolarHBondContact O-N 3.05Å; A93-L101 HydrophobicContact CB-CB 4.32Å; A93-L101 HydrophobicContact CB-CD2 3.64Å; A93-L101 HydrophobicContact CB-CG 3.73Å; A93-I102 HydrophobicContact CB-CG1 3.87Å; A93-L105 HydrophobicContact CB-CD1 3.95Å
94D96.6Very high93.6Very high90 Ų9065.3 Ų65.348%0.48132%0.319SS..Hα-helixtrans-65.1-48.2172.6-17254000111.5R90 E92 Y96 Q97 I102R90-D94 WeakPolarHBondContact O-CB 3.34Å; R90-D94 PolarHBondContact O-N 3.13Å; E92-D94 VanDerWaalsContact C-N 3.26Å; E92-D94 PolarHBondContact O-N 3.15Å; D94-Y96 VanDerWaalsContact C-N 3.34Å; D94-Y96 PolarHBondContact O-N 2.82Å; D94-Q97 WeakPolarHBondContact O-CA 3.35Å; D94-Q97 PolarHBondContact O-N 2.91Å; D94-Q97 PolarHBondContact O-NE2 2.97Å; D94-I102 HydrophobicContact CB-CD1 4.39Å
95F97.3Very high93.6Very high75 Ų7556.7 Ų56.733%0.32928%0.283SS..Hα-helixtrans-56.4-46.3175.9175.6-93.2000112.6L37 I58 R60 K91 E92 Q97L37-F95 HydrophobicContact CD2-CD1 4.17Å; L37-F95 HydrophobicContact CD2-CE1 3.63Å; L37-F95 HydrophobicContact CD2-CZ 3.87Å; L37-F95 WeakPolarHBondContact CD2-O 3.24Å; I58-F95 HydrophobicContact CG2-CE1 4.43Å; R60-F95 HydrophobicContact CG-CD1 3.72Å; R60-F95 HydrophobicContact CG-CE1 3.39Å; R60-F95 HydrophobicContact CG-CE2 4.45Å; R60-F95 HydrophobicContact CG-CG 4.39Å; R60-F95 HydrophobicContact CG-CZ 3.8Å; K91-F95 WeakPolarHBondContact O-CB 3.39Å; K91-F95 PolarHBondContact O-N 2.99Å; E92-F95 PolarHBondContact O-N 2.91Å; E92-F95 VanDerWaalsContact O-N 3.16Å; F95-Q97 PolarHBondContact O-N 2.8Å
96Y96.8Very high92.9Very high1 Ų154.6 Ų54.60%0.00429%0.285CS..THydrogen-bonded Turntrans-76.7-2.5178-65.1-65.4000113.5S36 L37 L38 I58 R60 F65 I68 E92 D94 I98S36-Y96 WeakPolarHBondContact CB-O 3.19Å; L37-Y96 WeakPolarHBondContact CB-O 3.21Å; L37-Y96 PolarHBondContact N-O 2.82Å; L38-Y96 HydrophobicContact CD1-CD1 3.93Å; L38-Y96 HydrophobicContact CD1-CE1 4.43Å; L38-Y96 HydrophobicContact CD1-CG 4.34Å; L38-Y96 HydrophobicContact CD2-CD1 4.07Å; L38-Y96 HydrophobicContact CD2-CE1 4.17Å; L38-Y96 HydrophobicContact CG-CD1 3.8Å; L38-Y96 HydrophobicContact CG-CE1 4.36Å; I58-Y96 HydrophobicContact CD1-CE1 4.36Å; I58-Y96 HydrophobicContact CG2-CE1 4.13Å; R60-Y96 WeakPolarHBondContact CB-OH 3.45Å; F65-Y96 HydrophobicContact CD2-CE1 4.22Å; F65-Y96 AromaticContact CD2-CE2 3.69Å; F65-Y96 HydrophobicContact CD2-CE2 3.69Å; F65-Y96 AromaticContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-CZ 3.47Å; F65-Y96 VanDerWaalsContact CD2-OH 3.23Å; F65-Y96 WeakPolarHBondContact CD2-OH 3.49Å; F65-Y96 AromaticContact CE2-CE1 3.94Å; F65-Y96 HydrophobicContact CE2-CE1 3.94Å; F65-Y96 HydrophobicContact CE2-CE2 4.11Å; F65-Y96 AromaticContact CE2-CZ 3.67Å; I68-Y96 HydrophobicContact CB-CD2 4.46Å; I68-Y96 HydrophobicContact CD1-CD2 4.23Å; I68-Y96 HydrophobicContact CG1-CD2 3.91Å; I68-Y96 HydrophobicContact CG1-CE2 4.06Å; I68-Y96 HydrophobicContact CG2-CD2 3.9Å; I68-Y96 HydrophobicContact CG2-CE2 4.39Å; I68-Y96 HydrophobicContact CG2-CG 4.32Å; E92-Y96 HydrophobicContact CB-CD2 4.34Å; E92-Y96 HydrophobicContact CB-CE2 4.21Å; E92-Y96 WeakPolarHBondContact O-CD2 3.37Å; E92-Y96 PolarHBondContact O-N 3.46Å; D94-Y96 VanDerWaalsContact C-N 3.34Å; D94-Y96 PolarHBondContact O-N 2.82Å; Y96-I98 VanDerWaalsContact C-N 3.31Å; Y96-I98 PolarHBondContact O-N 2.89Å
97Q96.4Very high91.9Very high108 Ų10854.5 Ų54.551%0.50528%0.282SS..THydrogen-bonded Turntrans55.343.9178.9-58.9-71.6-50.800112.2S36 A93 D94 F95 E99S36-Q97 WeakPolarHBondContact CA-O 3.24Å; A93-Q97 PolarHBondContact O-N 2.8Å; A93-Q97 VanDerWaalsContact O-N 3.1Å; D94-Q97 WeakPolarHBondContact O-CA 3.35Å; D94-Q97 PolarHBondContact O-N 2.91Å; D94-Q97 PolarHBondContact O-NE2 2.97Å; F95-Q97 PolarHBondContact O-N 2.8Å; Q97-E99 PolarHBondContact O-N 2.88Å
98I96.1Very high90.1Very high1 Ų157.2 Ų57.21%0.00529%0.294CS..  trans-97.782.2178.8-53.3171.3000108.8Y33 I68 F71 L72 A93 Y96 H100 L101 I102Y33-I98 HydrophobicContact CD2-CG2 4.35Å; Y33-I98 HydrophobicContact CG-CG2 4.42Å; I68-I98 HydrophobicContact CG2-CD1 3.57Å; F71-I98 HydrophobicContact CD1-CG2 3.99Å; F71-I98 HydrophobicContact CE1-CG2 3.62Å; L72-I98 HydrophobicContact CD2-CD1 3.96Å; L72-I98 HydrophobicContact CG-CD1 4.42Å; A93-I98 PolarHBondContact O-N 3.05Å; Y96-I98 VanDerWaalsContact C-N 3.31Å; Y96-I98 PolarHBondContact O-N 2.89Å; I98-H100 VanDerWaalsContact C-N 3.3Å; I98-H100 PolarHBondContact O-N 3.16Å; I98-L101 HydrophobicContact CB-CB 4.04Å; I98-L101 HydrophobicContact CG2-CB 3.64Å; I98-L101 WeakPolarHBondContact O-CB 3.45Å; I98-L101 PolarHBondContact O-N 3.1Å; I98-I102 WeakPolarHBondContact O-CG1 3.4Å; I98-I102 PolarHBondContact O-N 3.15Å; I98-I102 VanDerWaalsContact O-N 3.11Å
99E92Very high88Confident111 Ų11162.1 Ų62.152%0.51931%0.307SS..Hα-helixtrans-51.5-45.6-174.1-175.756.4-145.500113.1Q97 L101 I102 Q103Q97-E99 PolarHBondContact O-N 2.88Å; E99-L101 VanDerWaalsContact C-N 3.25Å; E99-L101 PolarHBondContact O-N 3.49Å; E99-I102 WeakPolarHBondContact O-CB 3.4Å; E99-I102 PolarHBondContact O-N 2.9Å; E99-I102 VanDerWaalsContact O-N 3.13Å; E99-Q103 WeakPolarHBondContact O-CG 3.31Å; E99-Q103 PolarHBondContact O-N 2.7Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å
100H90Very high85.7Confident89 Ų8967.6 Ų67.641%0.41234%0.343SS..Hα-helixtrans-61.7-33.8179.9-160.8-82.4000112.6Y33 F71 I98 C104Y33-H100 HydrophobicContact CE1-CB 3.88Å; F71-H100 HydrophobicContact CE1-CB 4.48Å; F71-H100 HydrophobicContact CZ-CB 4.07Å; F71-H100 AromaticContact CZ-ND1 3.55Å; I98-H100 VanDerWaalsContact C-N 3.3Å; I98-H100 PolarHBondContact O-N 3.16Å; H100-C104 PolarHBondContact O-N 2.81Å; H100-C104 VanDerWaalsContact O-N 3.09Å; H100-C104 PolarHBondContact O-SG 3.29Å
101L92.6Very high83.7Confident1 Ų165.5 Ų65.51%0.00534%0.338CS..Hα-helixtrans-73.5-39.7176.3176.457.6000111.5I68 F71 L77 A93 I98 E99 Q103 C104 L105I68-L101 HydrophobicContact CD1-CD2 3.45Å; I68-L101 VanDerWaalsContact CD1-CD2 3.45Å; F71-L101 HydrophobicContact CB-CD1 4.44Å; F71-L101 HydrophobicContact CB-CD2 4.43Å; F71-L101 HydrophobicContact CD1-CB 3.94Å; F71-L101 HydrophobicContact CD1-CD1 4.49Å; F71-L101 HydrophobicContact CD1-CD2 4.33Å; F71-L101 HydrophobicContact CD1-CG 4.48Å; F71-L101 HydrophobicContact CD2-CB 4.37Å; F71-L101 HydrophobicContact CD2-CD1 3.71Å; F71-L101 HydrophobicContact CE1-CB 3.73Å; F71-L101 HydrophobicContact CE2-CB 4.18Å; F71-L101 HydrophobicContact CE2-CD1 4.04Å; F71-L101 HydrophobicContact CG-CB 4.26Å; F71-L101 HydrophobicContact CG-CD1 3.96Å; F71-L101 HydrophobicContact CG-CD2 4.28Å; F71-L101 HydrophobicContact CG-CG 4.39Å; F71-L101 HydrophobicContact CZ-CB 3.85Å; L77-L101 HydrophobicContact CB-CD1 4.27Å; L77-L101 HydrophobicContact CD1-CD1 3.6Å; L77-L101 HydrophobicContact CD2-CD1 3.98Å; L77-L101 HydrophobicContact CG-CD1 4.16Å; A93-L101 HydrophobicContact CB-CB 4.32Å; A93-L101 HydrophobicContact CB-CD2 3.64Å; A93-L101 HydrophobicContact CB-CG 3.73Å; I98-L101 HydrophobicContact CB-CB 4.04Å; I98-L101 HydrophobicContact CG2-CB 3.64Å; I98-L101 WeakPolarHBondContact O-CB 3.45Å; I98-L101 PolarHBondContact O-N 3.1Å; E99-L101 VanDerWaalsContact C-N 3.25Å; E99-L101 PolarHBondContact O-N 3.49Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.37Å; L101-C104 PolarHBondContact O-N 3.37Å; L101-L105 HydrophobicContact CD1-CD1 4.1Å; L101-L105 HydrophobicContact CD1-CG 4.22Å; L101-L105 HydrophobicContact CG-CD1 4.02Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 2.88Å
102I92.5Very high81.4Confident26 Ų2664.4 Ų64.413%0.13334%0.339CS..Hα-helixtrans-60.2-41.6176.3-61.8168.7000110.5R90 A93 D94 I98 E99 L105 G106R90-I102 PolarHBondContact NH1-O 2.79Å; A93-I102 HydrophobicContact CB-CG1 3.87Å; D94-I102 HydrophobicContact CB-CD1 4.39Å; I98-I102 WeakPolarHBondContact O-CG1 3.4Å; I98-I102 PolarHBondContact O-N 3.15Å; I98-I102 VanDerWaalsContact O-N 3.11Å; E99-I102 WeakPolarHBondContact O-CB 3.4Å; E99-I102 PolarHBondContact O-N 2.9Å; E99-I102 VanDerWaalsContact O-N 3.13Å; I102-L105 PolarHBondContact O-N 2.91Å; I102-G106 PolarHBondContact O-N 3.18Å
103Q88.9Confident78.8Confident109 Ų10968.8 Ų68.851%0.50936%0.362SS..Hα-helixtrans-63.8-49.3175.1-70174.56.300111.4E99 L101 L105 G106 D107E99-Q103 WeakPolarHBondContact O-CG 3.31Å; E99-Q103 PolarHBondContact O-N 2.7Å; E99-Q103 PolarHBondContact OE1-NE2 3.29Å; L101-Q103 VanDerWaalsContact C-N 3.28Å; L101-Q103 PolarHBondContact O-N 3.37Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 3.47Å; Q103-G106 PolarHBondContact O-N 2.96Å; Q103-D107 PolarHBondContact O-N 2.67Å; Q103-D107 VanDerWaalsContact O-N 3.14Å
104C86.1Confident76.3Confident30 Ų3075.6 Ų75.620%0.20339%0.389CS..Hα-helixtrans-55.8-45.4175.4-69.10000111.7L77 H100 L101 G106 D107 L111L77-C104 HydrophobicContact CB-CB 4.04Å; L77-C104 HydrophobicContact CD2-CB 3.74Å; H100-C104 PolarHBondContact O-N 2.81Å; H100-C104 VanDerWaalsContact O-N 3.09Å; H100-C104 PolarHBondContact O-SG 3.29Å; L101-C104 PolarHBondContact O-N 3.37Å; C104-G106 PolarHBondContact O-N 2.84Å; C104-G106 VanDerWaalsContact O-N 3.17Å; C104-D107 PolarHBondContact O-N 3.17Å; C104-L111 HydrophobicContact CB-CD2 4.37Å; C104-L111 WeakPolarHBondContact O-CD2 3.49Å
105L87.1Confident74Confident18 Ų1874 Ų749%0.09438%0.383CS..Hα-helixtrans-65-18.7178.7-72.2164.3000113.5L77 L79 T86 L89 R90 A93 L101 I102 Q103L77-L105 HydrophobicContact CD2-CD2 3.58Å; L77-L105 HydrophobicContact CD2-CG 3.7Å; L79-L105 HydrophobicContact CD1-CD2 4.25Å; T86-L105 HydrophobicContact CG2-CD2 3.75Å; L89-L105 HydrophobicContact CD2-CD2 4.1Å; L89-L105 HydrophobicContact CG-CD1 4.27Å; L89-L105 HydrophobicContact CG-CD2 4.46Å; R90-L105 HydrophobicContact CB-CD1 4.17Å; R90-L105 PolarHBondContact NH2-O 2.92Å; A93-L105 HydrophobicContact CB-CD1 3.95Å; L101-L105 HydrophobicContact CD1-CD1 4.1Å; L101-L105 HydrophobicContact CD1-CG 4.22Å; L101-L105 HydrophobicContact CG-CD1 4.02Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 2.88Å; I102-L105 PolarHBondContact O-N 2.91Å; Q103-L105 VanDerWaalsContact C-N 3.31Å; Q103-L105 PolarHBondContact O-N 3.47Å
106G77.3Confident71.9Confident46 Ų4675.6 Ų75.647%0.47440%0.399SS..Hα-helixtrans-99.4-8.7-177.800000114.7I102 Q103 C104I102-G106 PolarHBondContact O-N 3.18Å; Q103-G106 PolarHBondContact O-N 2.96Å; C104-G106 PolarHBondContact O-N 2.84Å; C104-G106 VanDerWaalsContact O-N 3.17Å
107D70.2Confident69.9Low51 Ų5180.1 Ų80.127%0.27342%0.423SS..  trans-78.4126.1179.5-157.8-36.5000110.3Q103 C104 R109Q103-D107 PolarHBondContact O-N 2.67Å; Q103-D107 VanDerWaalsContact O-N 3.14Å; C104-D107 PolarHBondContact O-N 3.17Å; D107-R109 VanDerWaalsContact CG-NE 3.32Å; D107-R109 PolarHBondContact O-N 3.32Å; D107-R109 WeakPolarHBondContact OD1-CB 3.46Å; D107-R109 WeakPolarHBondContact OD1-CG 3.39Å; D107-R109 PolarHBondContact OD1-N 3.14Å; D107-R109 IonicContact OD1-NE 2.74Å; D107-R109 PolarHBondContact OD1-NE 3.23Å; D107-R109 IonicContact OD2-CZ 2.9Å; D107-R109 IonicContact OD2-NE 3.78Å; D107-R109 PolarHBondContact OD2-NE 2.64Å; D107-R109 IonicContact OD2-NH2 3.76Å; D107-R109 PolarHBondContact OD2-NH2 2.74Å
108P54.2Low68Low129 Ų12977.2 Ų77.284%0.83841%0.413SS*.  trans-70-8.1171.928.6-34.6000112.9
109R51.6Low66.9Low179 Ų17981.6 Ų81.668%0.67543%0.43SS*.SBendtrans-63.1134.3171.1-70.5-177.3-67.9170.90.6109.3D107 L111D107-R109 VanDerWaalsContact CG-NE 3.32Å; D107-R109 PolarHBondContact O-N 3.32Å; D107-R109 WeakPolarHBondContact OD1-CB 3.46Å; D107-R109 WeakPolarHBondContact OD1-CG 3.39Å; D107-R109 PolarHBondContact OD1-N 3.14Å; D107-R109 IonicContact OD1-NE 2.74Å; D107-R109 PolarHBondContact OD1-NE 3.23Å; D107-R109 IonicContact OD2-CZ 2.9Å; D107-R109 IonicContact OD2-NE 3.78Å; D107-R109 PolarHBondContact OD2-NE 2.64Å; D107-R109 IonicContact OD2-NH2 3.76Å; D107-R109 PolarHBondContact OD2-NH2 2.74Å; R109-L111 PolarHBondContact O-N 3.21Å
110P48.3Very low66.2Low115 Ų11580.8 Ų80.875%0.74743%0.426SS*.  trans-59.8111.1-178.722.8-30.4000109L112P110-L112 PolarHBondContact O-N 3.35Å
111L52.3Low66.1Low47 Ų4777.4 Ų77.425%0.24641%0.411CS..  trans-48.3138.8165.5-62.5177.2000107.6L77 L79 C104 R109 L113L77-L111 HydrophobicContact CB-CD2 4.41Å; L77-L111 HydrophobicContact CD2-CD1 3.45Å; L77-L111 VanDerWaalsContact CD2-CD1 3.45Å; L77-L111 HydrophobicContact CD2-CD2 3.71Å; L77-L111 HydrophobicContact CD2-CG 4.19Å; L77-L111 HydrophobicContact CG-CD1 4.06Å; L77-L111 HydrophobicContact CG-CD2 4.25Å; L79-L111 HydrophobicContact CD1-CD1 4.03Å; C104-L111 HydrophobicContact CB-CD2 4.37Å; C104-L111 WeakPolarHBondContact O-CD2 3.49Å; R109-L111 PolarHBondContact O-N 3.21Å; L111-L113 WeakPolarHBondContact O-CG 3.16Å; L111-L113 PolarHBondContact O-N 2.98Å
112L47.9Very low65.9Low114 Ų11479.9 Ų79.960%0.59743%0.426SS*.  trans-60.790.4-179.5-66.9175.3000109.4P110 Y114P110-L112 PolarHBondContact O-N 3.35Å; L112-Y114 HydrophobicContact CB-CE2 4.49Å; L112-Y114 PolarHBondContact O-N 3.17Å
113L43.9Very low65.9Low104 Ų10478.7 Ų78.755%0.54542%0.419SS..  trans-73.699179.1-75.5157.7000107.2L111 P115L111-L113 WeakPolarHBondContact O-CG 3.16Å; L111-L113 PolarHBondContact O-N 2.98Å; L113-P115 WeakPolarHBondContact O-CD 3.47Å
114Y43.6Very low66Low144 Ų14477.1 Ų77.157%0.56541%0.412SS*.  trans-82.5115.5160.3-71.9-86.6000107.5T78 L112 T116T78-Y114 HydrophobicContact CG2-CD2 3.86Å; L112-Y114 HydrophobicContact CB-CE2 4.49Å; L112-Y114 PolarHBondContact O-N 3.17Å; Y114-T116 PolarHBondContact O-N 2.74Å; Y114-T116 VanDerWaalsContact O-N 3.15Å
115P49.1Very low66.2Low56 Ų5675.7 Ų75.736%0.36440%0.403SS..  trans-70114.7171.9-2.318.7000107.6C81 L113 D117 T118C81-P115 HydrophobicContact CB-CB 4.39Å; L113-P115 WeakPolarHBondContact O-CD 3.47Å; P115-D117 PolarHBondContact O-N 3.45Å; P115-D117 VanDerWaalsContact O-N 3.15Å; P115-T118 HydrophobicContact CB-CG2 3.75Å; P115-T118 WeakPolarHBondContact CB-OG1 3.2Å; P115-T118 WeakPolarHBondContact CD-OG1 3.44Å; P115-T118 HydrophobicContact CG-CG2 3.97Å; P115-T118 WeakPolarHBondContact CG-OG1 3.47Å; P115-T118 PolarHBondContact O-N 2.93Å; P115-T118 VanDerWaalsContact O-N 3.13Å; P115-T118 PolarHBondContact O-OG1 3.34Å; P115-T118 VanDerWaalsContact O-OG1 3.05Å
116T52.9Low66.2Low109 Ų10975.6 Ų75.667%0.66940%0.403SS*.THydrogen-bonded Turntrans-66.6-14.7-177.2-360000112.5Y114Y114-T116 PolarHBondContact O-N 2.74Å; Y114-T116 VanDerWaalsContact O-N 3.15Å
117D54.3Low66.7Low95 Ų9573.4 Ų73.451%0.50838%0.381SS..THydrogen-bonded Turntrans-107.46.5177.2-73.6-44.8000113.3P115 Q235 K236P115-D117 PolarHBondContact O-N 3.45Å; P115-D117 VanDerWaalsContact O-N 3.15Å; D117-Q235 CarbonylContact O-C 3.58Å; D117-Q235 WeakPolarHBondContact O-CA 3.42Å; D117-K236 HydrophobicContact CB-CB 3.87Å; D117-K236 VanDerWaalsContact O-CB 3.24Å; D117-K236 WeakPolarHBondContact O-CB 3.48Å; D117-K236 PolarHBondContact O-N 2.85Å
118T57.8Low67.4Low47 Ų4772 Ų7229%0.28837%0.374SS..EExtended strand (participates in β ladder)trans-94.7121.4172.250.40000112.2P115 V234 Q235P115-T118 HydrophobicContact CB-CG2 3.75Å; P115-T118 WeakPolarHBondContact CB-OG1 3.2Å; P115-T118 WeakPolarHBondContact CD-OG1 3.44Å; P115-T118 HydrophobicContact CG-CG2 3.97Å; P115-T118 WeakPolarHBondContact CG-OG1 3.47Å; P115-T118 PolarHBondContact O-N 2.93Å; P115-T118 VanDerWaalsContact O-N 3.13Å; P115-T118 PolarHBondContact O-OG1 3.34Å; P115-T118 VanDerWaalsContact O-OG1 3.05Å; T118-V234 CarbonylContact C-O 3.52Å; T118-V234 WeakPolarHBondContact CA-O 3.46Å; T118-Q235 HydrophobicContact CG2-CG 3.76Å
119Y71.9Confident68.6Low94 Ų9469.1 Ų69.137%0.36935%0.346SS..EExtended strand (participates in β ladder)trans-103.3153.1161.169.1-79.8000109.1E121 V234Y119-E121 HydrophobicContact CD2-CG 4.01Å; Y119-E121 HydrophobicContact CE2-CG 3.3Å; Y119-E121 PolarHBondContact OH-OE1 3.48Å; Y119-V234 HydrophobicContact CD1-CB 4.39Å; Y119-V234 HydrophobicContact CE1-CB 3.95Å; Y119-V234 HydrophobicContact CE1-CG1 3.74Å; Y119-V234 HydrophobicContact CE2-CB 4.48Å; Y119-V234 PolarHBondContact N-O 2.67Å; Y119-V234 PolarHBondContact O-N 3.32Å
120E78.2Confident69.8Low93 Ų9366 Ų6644%0.43534%0.338SS..EExtended strand (participates in β ladder)trans-88.5119.3171-70.9-171.1133.100108.7R208 R232E120-R208 IonicContact OE1-CZ 2.7Å; E120-R208 IonicContact OE1-NH1 3.23Å; E120-R208 IonicContact OE1-NH2 3.22Å; E120-R208 PolarHBondContact OE1-NH2 3.24Å; E120-R208 IonicContact OE2-CZ 3.08Å; E120-R208 VanDerWaalsContact OE2-CZ 3.22Å; E120-R208 IonicContact OE2-NH1 2.64Å; E120-R208 PolarHBondContact OE2-NH1 3.04Å; E120-R208 IonicContact OE2-NH2 2.79Å; E120-R208 PolarHBondContact OE2-NH2 3.1Å; E120-R232 WeakPolarHBondContact CA-O 3.49Å
121E88.1Confident71Confident19 Ų1962.4 Ų62.49%0.08931%0.312CS..EExtended strand (participates in β ladder)trans-75.9135.2161.2-74.1-175.3160.100108.8Y119 V151 F205 C231 R232 V234Y119-E121 HydrophobicContact CD2-CG 4.01Å; Y119-E121 HydrophobicContact CE2-CG 3.3Å; Y119-E121 PolarHBondContact OH-OE1 3.48Å; E121-V151 HydrophobicContact CB-CG2 3.68Å; E121-V151 HydrophobicContact CG-CG2 3.62Å; E121-V151 WeakPolarHBondContact OE2-CG2 3.4Å; E121-F205 HydrophobicContact CB-CE1 3.64Å; E121-F205 HydrophobicContact CB-CZ 3.94Å; E121-C231 CarbonylContact O-C 3.52Å; E121-C231 VanDerWaalsContact O-CA 3.28Å; E121-C231 WeakPolarHBondContact O-CA 3.42Å; E121-R232 PolarHBondContact N-O 3.02Å; E121-R232 PolarHBondContact O-N 3.07Å; E121-R232 IonicContact OE2-CZ 2.64Å; E121-R232 IonicContact OE2-NE 2.67Å; E121-R232 IonicContact OE2-NH2 3.5Å; E121-R232 PolarHBondContact OE2-NH2 3.45Å; E121-V234 HydrophobicContact CB-CG2 4.2Å; E121-V234 VanDerWaalsContact CD-CG2 3.49Å; E121-V234 HydrophobicContact CG-CB 4.39Å; E121-V234 HydrophobicContact CG-CG2 3.69Å; E121-V234 WeakPolarHBondContact OE2-CG2 3.3Å
122V88.2Confident71.4Confident53 Ų5361.2 Ų61.232%0.32131%0.308SS..EExtended strand (participates in β ladder)trans-121135.9-177.4-178.90000109.3E124 T149 T229 F230V122-E124 HydrophobicContact CG1-CG 4.24Å; V122-T149 VanDerWaalsContact O-CB 3.31Å; V122-T149 WeakPolarHBondContact O-CB 3.37Å; V122-T149 PolarHBondContact O-OG1 3.43Å; V122-T229 HydrophobicContact CG1-CG2 3.83Å; V122-F230 WeakPolarHBondContact CA-O 3.48Å
123V91.3Very high71.8Confident0 Ų061.9 Ų61.90%031%0.306CS..EExtended strand (participates in β ladder)trans-122.7123169.8179.50000107.6I147 T149 V154 I200 F205 F230V123-I147 HydrophobicContact CG1-CG2 3.92Å; V123-T149 HydrophobicContact CG2-CG2 4.2Å; V123-V154 HydrophobicContact CG2-CG1 4.44Å; V123-I200 HydrophobicContact CB-CG2 4.36Å; V123-I200 HydrophobicContact CG1-CD1 3.91Å; V123-I200 HydrophobicContact CG1-CG1 4.26Å; V123-I200 HydrophobicContact CG1-CG2 4.28Å; V123-F205 HydrophobicContact CB-CD1 4.39Å; V123-F205 HydrophobicContact CG2-CD1 3.74Å; V123-F205 HydrophobicContact CG2-CD2 4.35Å; V123-F205 HydrophobicContact CG2-CE1 3.53Å; V123-F205 HydrophobicContact CG2-CE2 4.17Å; V123-F205 HydrophobicContact CG2-CG 4.16Å; V123-F205 HydrophobicContact CG2-CZ 3.78Å; V123-F230 HydrophobicContact CB-CB 4.33Å; V123-F230 PolarHBondContact N-O 3.37Å; V123-F230 PolarHBondContact O-N 2.96Å
124E91.1Very high72.2Confident77 Ų7765.5 Ų65.536%0.3631%0.313SS..EExtended strand (participates in β ladder)trans-103131.1171.4-63.8-178.2155.800108.6V122 I147 T148 W228 T229V122-E124 HydrophobicContact CG1-CG 4.24Å; E124-I147 CarbonylContact O-C 3.46Å; E124-I147 VanDerWaalsContact O-CA 3.26Å; E124-I147 WeakPolarHBondContact O-CA 3.42Å; E124-T148 PolarHBondContact N-O 3.27Å; E124-T148 PolarHBondContact O-N 3.34Å; E124-W228 WeakPolarHBondContact CA-O 3.33Å; E124-T229 HydrophobicContact CG-CG2 4.39Å
125L90Very high72.4Confident0 Ų063.7 Ų63.70%032%0.322CS..EExtended strand (participates in β ladder)trans-119.2120172.7173.567.7000107.7L145 T146 I147 L196 L197 I200 H227 W228 F230L125-L145 HydrophobicContact CD1-CD2 4.26Å; L125-T146 CarbonylContact C-O 3.58Å; L125-T146 VanDerWaalsContact CA-O 3.32Å; L125-T146 WeakPolarHBondContact CA-O 3.44Å; L125-I147 HydrophobicContact CD1-CD1 4.1Å; L125-I147 HydrophobicContact CD1-CG1 3.47Å; L125-I147 VanDerWaalsContact CD1-CG1 3.47Å; L125-L196 HydrophobicContact CD1-CD1 4.12Å; L125-L196 HydrophobicContact CD2-CB 4.3Å; L125-L197 HydrophobicContact CD2-CD2 3.79Å; L125-L197 HydrophobicContact CD2-CG 4.36Å; L125-I200 HydrophobicContact CB-CD1 4.3Å; L125-I200 HydrophobicContact CD2-CD1 4.29Å; L125-H227 CarbonylContact O-C 3.5Å; L125-H227 WeakPolarHBondContact O-CA 3.32Å; L125-W228 HydrophobicContact CB-CB 4.41Å; L125-W228 HydrophobicContact CB-CE3 4.41Å; L125-W228 HydrophobicContact CD2-CE3 3.97Å; L125-W228 HydrophobicContact CD2-CZ3 4.39Å; L125-W228 HydrophobicContact CG-CE3 3.99Å; L125-W228 HydrophobicContact CG-CZ3 4.46Å; L125-W228 PolarHBondContact N-O 2.99Å; L125-W228 PolarHBondContact O-N 3.47Å; L125-F230 HydrophobicContact CB-CE2 4.19Å
126S88.8Confident72.1Confident15 Ų1568.7 Ų68.711%0.10535%0.345CS..EExtended strand (participates in β ladder)trans-111.5144.8167.775.20000111.3L145 T146 H226S126-L145 CarbonylContact O-C 3.59Å; S126-L145 VanDerWaalsContact O-CA 3.29Å; S126-L145 WeakPolarHBondContact O-CA 3.49Å; S126-T146 PolarHBondContact N-O 2.87Å; S126-T146 PolarHBondContact O-N 3.29Å; S126-T146 WeakPolarHBondContact OG-CB 3.23Å; S126-H226 CarbonylContact C-O 3.56Å; S126-H226 VanDerWaalsContact CA-O 3.26Å; S126-H226 WeakPolarHBondContact CA-O 3.36Å
127S87.3Confident72Confident0 Ų068.9 Ų68.90%035%0.349CS..EExtended strand (participates in β ladder)trans-128.1106.9173.3-1710000109.7Q144 L145 R193 E225 H226S127-Q144 CarbonylContact C-O 3.49Å; S127-Q144 WeakPolarHBondContact CA-O 3.46Å; S127-L145 VanDerWaalsContact OG-CD2 3.25Å; S127-L145 WeakPolarHBondContact OG-CD2 3.4Å; S127-R193 VanDerWaalsContact OG-CZ 3.32Å; S127-R193 PolarHBondContact OG-NE 3.45Å; S127-R193 PolarHBondContact OG-NH2 3.22Å; S127-E225 CarbonylContact O-C 3.52Å; S127-E225 VanDerWaalsContact O-CA 3.3Å; S127-E225 WeakPolarHBondContact O-CA 3.48Å; S127-H226 PolarHBondContact N-O 3.5Å; S127-H226 PolarHBondContact O-N 2.85Å
128T84.4Confident72Confident21 Ų2169.1 Ų69.113%0.12935%0.353CS..EExtended strand (participates in β ladder)trans-100117177.3-47.70000109.2K130 T143 Q144 T223T128-K130 HydrophobicContact CG2-CG 4.16Å; T128-T143 WeakPolarHBondContact O-CA 3.16Å; T128-Q144 PolarHBondContact N-O 2.71Å; T128-Q144 PolarHBondContact O-N 3.08Å; T128-T223 HydrophobicContact CG2-CG2 3.57Å
129R79.6Confident72Confident70 Ų7069.4 Ų69.426%0.26436%0.36SS..EExtended strand (participates in β ladder)trans-101.6114.2173.3-170.9-173.7-164.5-121.61.7108.7I141 E189 T223 V224R129-I141 HydrophobicContact CG-CG2 3.88Å; R129-E189 WeakPolarHBondContact CD-OE1 3.47Å; R129-E189 IonicContact CZ-OE2 3.8Å; R129-E189 IonicContact NE-OE1 3.05Å; R129-E189 PolarHBondContact NE-OE1 2.98Å; R129-E189 IonicContact NE-OE2 3.96Å; R129-E189 PolarHBondContact NE-OE2 2.72Å; R129-E189 IonicContact NH2-OE2 3.6Å; R129-T223 WeakPolarHBondContact O-CA 3.46Å; R129-V224 PolarHBondContact N-O 3.26Å; R129-V224 PolarHBondContact O-N 3Å
130K77.4Confident71.5Confident113 Ų11367 Ų6749%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-105118.8175.8-68.7-174.4173-179.90109.8T128 I142 T223T128-K130 HydrophobicContact CG2-CG 4.16Å; K130-I142 PolarHBondContact N-O 3.22Å; K130-I142 PolarHBondContact O-N 3.29Å; K130-T223 HydrophobicContact CG-CG2 4.17Å
131L72.3Confident71Confident40 Ų4064.2 Ų64.221%0.20934%0.343CS..EExtended strand (participates in β ladder)trans-91.8107.4169.8-174.970.7000108.9A139 I141 N222L131-A139 HydrophobicContact CD1-CB 3.9Å; L131-I141 HydrophobicContact CD1-CG1 3.94Å; L131-N222 HydrophobicContact CB-CB 4.46Å; L131-N222 HydrophobicContact CD2-CB 4.46Å; L131-N222 PolarHBondContact N-O 3.5Å
132S61.2Low70Confident22 Ų2266.7 Ų66.715%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-99.5119.5171.3-172.20000111Y134 V140S132-Y134 VanDerWaalsContact C-N 3.34Å; S132-Y134 PolarHBondContact O-N 3.1Å; S132-Y134 WeakPolarHBondContact OG-CD2 3.42Å; S132-Y134 WeakPolarHBondContact OG-CE2 3.17Å; S132-V140 PolarHBondContact N-O 3.4Å; S132-V140 VanDerWaalsContact N-O 3.12Å; S132-V140 PolarHBondContact O-N 3.5Å; S132-V140 VanDerWaalsContact O-N 3.14Å
133K57.2Low69.4Low127 Ų12764.2 Ų64.255%0.55234%0.341SS*.  trans-8969167.3-68.2-178-177.7175.40109.3S135K133-S135 PolarHBondContact O-N 3.21Å
134Y52.7Low68.9Low181 Ų18167.4 Ų67.471%0.7136%0.356SS*.  trans-70102.6162-74.9-71.7000106.9S132S132-Y134 VanDerWaalsContact C-N 3.34Å; S132-Y134 PolarHBondContact O-N 3.1Å; S132-Y134 WeakPolarHBondContact OG-CD2 3.42Å; S132-Y134 WeakPolarHBondContact OG-CE2 3.17Å
135S46.4Very low68.5Low106 Ų10663.7 Ų63.774%0.74134%0.339SS*.SBendtrans33.3100.7165.654.50000115.9K133K133-S135 PolarHBondContact O-N 3.21Å
136N43.4Very low68.3Low160 Ų16064.2 Ų64.286%0.85634%0.342SS*.SBendtrans-3.4122.3164.3-1568000116
137P51.1Low68.2Low114 Ų11463.5 Ų63.574%0.7434%0.337SS*.SBendcis-116.80.52239-28000117.1
138V53.7Low68.2Low99 Ų9965.5 Ų65.560%0.635%0.349SS*.  trans-10597.5-170.8-169.50000110.7V140V138-V140 PolarHBondContact O-N 2.95Å
139A57.9Low68.3Low53 Ų5364.7 Ų64.744%0.43834%0.344SS..PPolyproline II helixtrans-65.5123.1165.500000108.8L131L131-A139 HydrophobicContact CD1-CB 3.9Å
140V61.2Low68.5Low43 Ų4369.6 Ų69.626%0.26137%0.367SS..EExtended strand (participates in β ladder)trans-96.7121.1177.9-178.60000108S132 V138 I142 P183S132-V140 PolarHBondContact N-O 3.4Å; S132-V140 VanDerWaalsContact N-O 3.12Å; S132-V140 PolarHBondContact O-N 3.5Å; S132-V140 VanDerWaalsContact O-N 3.14Å; V138-V140 PolarHBondContact O-N 2.95Å; V140-I142 HydrophobicContact CG1-CG1 4.01Å; V140-P183 HydrophobicContact CG1-CB 4.29Å
141I67.9Low69Low35 Ų3564.7 Ų64.718%0.17935%0.347CS..EExtended strand (participates in β ladder)trans-91.4116.6172-61.8155.9000106.9R129 L131R129-I141 HydrophobicContact CG-CG2 3.88Å; L131-I141 HydrophobicContact CD1-CG1 3.94Å
142I67.7Low69.4Low72 Ų7269 Ų6937%0.36937%0.366SS..EExtended strand (participates in β ladder)trans-107.6121.5169.4-57.7177.9000106.4K130 V140 T180K130-I142 PolarHBondContact N-O 3.22Å; K130-I142 PolarHBondContact O-N 3.29Å; V140-I142 HydrophobicContact CG1-CG1 4.01Å; I142-T180 HydrophobicContact CG2-CG2 3.66Å
143T75.3Confident70.5Confident0 Ų071.2 Ų71.20%038%0.382CS..EExtended strand (participates in β ladder)trans-107.4128.5172.4-57.10000108.7T128 L145 F181 E189T128-T143 WeakPolarHBondContact O-CA 3.16Å; T143-L145 HydrophobicContact CG2-CG 4.48Å; T143-F181 HydrophobicContact CG2-CE1 3.83Å; T143-F181 HydrophobicContact CG2-CE2 4.02Å; T143-F181 HydrophobicContact CG2-CZ 3.32Å; T143-F181 PolarHBondContact N-O 2.85Å; T143-F181 VanDerWaalsContact O-CD1 3.3Å; T143-F181 WeakPolarHBondContact O-CD1 3.49Å; T143-F181 WeakPolarHBondContact O-CE1 3.44Å; T143-F181 PolarHBondContact O-N 2.97Å; T143-E189 HydrophobicContact CG2-CG 4.15Å
144Q80.1Confident71.9Confident67 Ų6765.4 Ų65.431%0.31336%0.357SS..EExtended strand (participates in β ladder)trans-109129.7169.9-175.6175.8-23.300108.4S127 T128 T146 F179S127-Q144 CarbonylContact C-O 3.49Å; S127-Q144 WeakPolarHBondContact CA-O 3.46Å; T128-Q144 PolarHBondContact N-O 2.71Å; T128-Q144 PolarHBondContact O-N 3.08Å; Q144-T146 PolarHBondContact NE2-OG1 3.11Å; Q144-F179 CarbonylContact C-O 3.47Å; Q144-F179 VanDerWaalsContact CA-O 3.31Å; Q144-F179 WeakPolarHBondContact CA-O 3.38Å
145L83.4Confident73.3Confident0 Ų057.9 Ų57.90%033%0.329CS..EExtended strand (participates in β ladder)trans-113.9129.2171.1-74.1163.1000108.5L125 S126 S127 T143 S178 F179 F181 L192 R193 L196L125-L145 HydrophobicContact CD1-CD2 4.26Å; S126-L145 CarbonylContact O-C 3.59Å; S126-L145 VanDerWaalsContact O-CA 3.29Å; S126-L145 WeakPolarHBondContact O-CA 3.49Å; S127-L145 VanDerWaalsContact OG-CD2 3.25Å; S127-L145 WeakPolarHBondContact OG-CD2 3.4Å; T143-L145 HydrophobicContact CG2-CG 4.48Å; L145-S178 CarbonylContact O-C 3.54Å; L145-S178 VanDerWaalsContact O-CA 3.27Å; L145-S178 WeakPolarHBondContact O-CA 3.42Å; L145-F179 HydrophobicContact CB-CB 4.41Å; L145-F179 HydrophobicContact CB-CD2 4.48Å; L145-F179 PolarHBondContact N-O 3.1Å; L145-F179 PolarHBondContact O-N 3.06Å; L145-F181 HydrophobicContact CB-CE1 4.49Å; L145-F181 HydrophobicContact CD1-CE1 3.54Å; L145-F181 HydrophobicContact CD1-CZ 3.77Å; L145-F181 HydrophobicContact CG-CE1 3.94Å; L145-F181 HydrophobicContact CG-CZ 4.32Å; L145-L192 HydrophobicContact CD1-CB 4.28Å; L145-L192 HydrophobicContact CD1-CD2 3.42Å; L145-L192 VanDerWaalsContact CD1-CD2 3.42Å; L145-L192 HydrophobicContact CD1-CG 3.52Å; L145-R193 HydrophobicContact CD2-CG 4.08Å; L145-L196 HydrophobicContact CB-CD1 4.31Å; L145-L196 HydrophobicContact CD1-CD1 3.75Å; L145-L196 HydrophobicContact CD2-CD1 4.4Å; L145-L196 HydrophobicContact CG-CD1 4.4Å
146T85.3Confident74.9Confident10 Ų1058.1 Ų58.16%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-126.1125.6-177.8-59.70000108.8L125 S126 Q144 Q176 S178L125-T146 CarbonylContact C-O 3.58Å; L125-T146 VanDerWaalsContact CA-O 3.32Å; L125-T146 WeakPolarHBondContact CA-O 3.44Å; S126-T146 PolarHBondContact N-O 2.87Å; S126-T146 PolarHBondContact O-N 3.29Å; S126-T146 WeakPolarHBondContact OG-CB 3.23Å; Q144-T146 PolarHBondContact NE2-OG1 3.11Å; T146-Q176 HydrophobicContact CG2-CG 3.61Å; T146-S178 PolarHBondContact OG1-OG 3.02Å
147I87.1Confident76.8Confident1 Ų152.9 Ų52.91%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-109.8126.5171.8-69.4165.8000108.4V123 E124 L125 T149 L155 V158 Q176 V177 F179 L196V123-I147 HydrophobicContact CG1-CG2 3.92Å; E124-I147 CarbonylContact O-C 3.46Å; E124-I147 VanDerWaalsContact O-CA 3.26Å; E124-I147 WeakPolarHBondContact O-CA 3.42Å; L125-I147 HydrophobicContact CD1-CD1 4.1Å; L125-I147 HydrophobicContact CD1-CG1 3.47Å; L125-I147 VanDerWaalsContact CD1-CG1 3.47Å; I147-T149 HydrophobicContact CG2-CG2 4.35Å; I147-L155 HydrophobicContact CG2-CD2 4.27Å; I147-V158 HydrophobicContact CD1-CG1 3.73Å; I147-V158 HydrophobicContact CD1-CG2 4.26Å; I147-Q176 CarbonylContact O-C 3.49Å; I147-Q176 VanDerWaalsContact O-CA 3.24Å; I147-Q176 WeakPolarHBondContact O-CA 3.1Å; I147-V177 PolarHBondContact N-O 2.99Å; I147-V177 PolarHBondContact O-N 2.83Å; I147-F179 HydrophobicContact CD1-CE2 4.47Å; I147-L196 HydrophobicContact CD1-CD1 4.33Å; I147-L196 HydrophobicContact CD1-CD2 3.94Å
148T87.4Confident78.2Confident41 Ų4147.5 Ų47.525%0.25226%0.259SS..EExtended strand (participates in β ladder)trans-121.7119.4176.4-53.30000108.9E124 F175E124-T148 PolarHBondContact N-O 3.27Å; E124-T148 PolarHBondContact O-N 3.34Å; T148-F175 CarbonylContact C-O 3.52Å; T148-F175 WeakPolarHBondContact CA-O 3.38Å
149T86.4Confident79.3Confident5 Ų544 Ų443%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-160.3141.9177.3-175.10000112.3V122 V123 I147 V151 V154 L155 F175V122-T149 VanDerWaalsContact O-CB 3.31Å; V122-T149 WeakPolarHBondContact O-CB 3.37Å; V122-T149 PolarHBondContact O-OG1 3.43Å; V123-T149 HydrophobicContact CG2-CG2 4.2Å; I147-T149 HydrophobicContact CG2-CG2 4.35Å; T149-V151 HydrophobicContact CG2-CB 4.38Å; T149-V151 PolarHBondContact O-N 3.26Å; T149-V151 WeakPolarHBondContact OG1-CG2 3.46Å; T149-V151 PolarHBondContact OG1-N 2.79Å; T149-V151 VanDerWaalsContact OG1-N 3.15Å; T149-V154 HydrophobicContact CG2-CB 4.2Å; T149-V154 HydrophobicContact CG2-CG1 4.15Å; T149-L155 HydrophobicContact CG2-CD2 3.59Å; T149-L155 HydrophobicContact CG2-CG 3.76Å; T149-L155 WeakPolarHBondContact O-CD1 3.35Å; T149-F175 PolarHBondContact N-O 2.96Å; T149-F175 WeakPolarHBondContact O-CB 3.39Å; T149-F175 VanDerWaalsContact O-O 3.12Å
150K84.1Confident80.2Confident172 Ų17244.9 Ų44.975%0.74824%0.242SC*.SBendtrans-72.4-7.4171.5-64.8-177.7179.2178.80113.3Q152 F175K150-Q152 PolarHBondContact O-N 2.98Å; K150-F175 HydrophobicContact CB-CD1 4.43Å; K150-F175 HydrophobicContact CG-CD1 4.35Å; K150-F175 HydrophobicContact CG-CD2 4.39Å; K150-F175 HydrophobicContact CG-CG 4.2Å
151V86.4Confident80.9Confident10 Ų1046.2 Ų46.26%0.06125%0.253CS..  trans-84.396-177.9-171.20000110E121 T149 S153 V154 L155 F205E121-V151 HydrophobicContact CB-CG2 3.68Å; E121-V151 HydrophobicContact CG-CG2 3.62Å; E121-V151 WeakPolarHBondContact OE2-CG2 3.4Å; T149-V151 HydrophobicContact CG2-CB 4.38Å; T149-V151 PolarHBondContact O-N 3.26Å; T149-V151 WeakPolarHBondContact OG1-CG2 3.46Å; T149-V151 PolarHBondContact OG1-N 2.79Å; T149-V151 VanDerWaalsContact OG1-N 3.15Å; V151-S153 VanDerWaalsContact C-N 3.32Å; V151-S153 PolarHBondContact O-N 2.9Å; V151-V154 HydrophobicContact CB-CB 4.24Å; V151-V154 HydrophobicContact CB-CG2 4.01Å; V151-V154 HydrophobicContact CG1-CB 4.21Å; V151-V154 HydrophobicContact CG1-CG2 3.62Å; V151-V154 WeakPolarHBondContact O-CB 3.36Å; V151-V154 PolarHBondContact O-N 3.13Å; V151-V154 VanDerWaalsContact O-N 3.09Å; V151-L155 PolarHBondContact O-N 3.25Å; V151-F205 HydrophobicContact CG2-CZ 4.08Å
152Q82Confident81.2Confident130 Ų13045.5 Ų45.561%0.60725%0.249SC*.Hα-helixtrans-61.7-36.9-172.1-173.4166.3-1700113.4K150 V154 L155 E156K150-Q152 PolarHBondContact O-N 2.98Å; Q152-V154 VanDerWaalsContact C-N 3.26Å; Q152-V154 PolarHBondContact O-N 3.11Å; Q152-L155 PolarHBondContact O-N 3.47Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; Q152-E156 HydrophobicContact CG-CG 4.35Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.45Å; Q152-E156 PolarHBondContact NE2-OE1 3.16Å; Q152-E156 WeakPolarHBondContact O-CG 3.38Å; Q152-E156 PolarHBondContact O-N 3.16Å
153S84.2Confident81Confident70 Ų7046 Ų4649%0.4926%0.255SS..Hα-helixtrans-61.7-33.4176.558.90000112.9V151 S157V151-S153 VanDerWaalsContact C-N 3.32Å; V151-S153 PolarHBondContact O-N 2.9Å; S153-S157 WeakPolarHBondContact O-CB 3.47Å; S153-S157 PolarHBondContact O-N 3.43Å; S153-S157 PolarHBondContact O-OG 2.97Å
154V85.8Confident80.3Confident5 Ų555.2 Ų55.23%0.0330%0.295CS..Hα-helixtrans-68.7-46.8174.5174.30000110V123 T149 V151 Q152 E156 S157 V158 F205V123-V154 HydrophobicContact CG2-CG1 4.44Å; T149-V154 HydrophobicContact CG2-CB 4.2Å; T149-V154 HydrophobicContact CG2-CG1 4.15Å; V151-V154 HydrophobicContact CB-CB 4.24Å; V151-V154 HydrophobicContact CB-CG2 4.01Å; V151-V154 HydrophobicContact CG1-CB 4.21Å; V151-V154 HydrophobicContact CG1-CG2 3.62Å; V151-V154 WeakPolarHBondContact O-CB 3.36Å; V151-V154 PolarHBondContact O-N 3.13Å; V151-V154 VanDerWaalsContact O-N 3.09Å; Q152-V154 VanDerWaalsContact C-N 3.26Å; Q152-V154 PolarHBondContact O-N 3.11Å; V154-E156 PolarHBondContact O-N 3.29Å; V154-S157 PolarHBondContact O-N 3.34Å; V154-V158 HydrophobicContact CG1-CG2 4.22Å; V154-V158 WeakPolarHBondContact O-CB 3.46Å; V154-V158 VanDerWaalsContact O-CG2 3.23Å; V154-V158 WeakPolarHBondContact O-CG2 3.04Å; V154-V158 PolarHBondContact O-N 3.04Å; V154-F205 HydrophobicContact CG2-CE2 3.88Å; V154-F205 HydrophobicContact CG2-CZ 4.33Å
155L82.7Confident79.3Confident23 Ų2355.9 Ų55.912%0.1230%0.295CS..Hα-helixtrans-58.7-46177.5-64.5178.9000111.9I147 T149 V151 Q152 S159 V177I147-L155 HydrophobicContact CG2-CD2 4.27Å; T149-L155 HydrophobicContact CG2-CD2 3.59Å; T149-L155 HydrophobicContact CG2-CG 3.76Å; T149-L155 WeakPolarHBondContact O-CD1 3.35Å; V151-L155 PolarHBondContact O-N 3.25Å; Q152-L155 PolarHBondContact O-N 3.47Å; Q152-L155 VanDerWaalsContact O-N 3.16Å; L155-S159 WeakPolarHBondContact O-CB 3.41Å; L155-S159 PolarHBondContact O-N 3.2Å; L155-V177 HydrophobicContact CB-CG2 4.21Å; L155-V177 HydrophobicContact CD2-CB 4.32Å; L155-V177 HydrophobicContact CD2-CG2 3.86Å
156E80.2Confident77.7Confident110 Ų11060.1 Ų60.151%0.51432%0.321SS..Hα-helixtrans-65.5-42.5178.9-71.4174.3-173.700112.1Q152 V154 S159 S160Q152-E156 HydrophobicContact CG-CG 4.35Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.45Å; Q152-E156 PolarHBondContact NE2-OE1 3.16Å; Q152-E156 WeakPolarHBondContact O-CG 3.38Å; Q152-E156 PolarHBondContact O-N 3.16Å; V154-E156 PolarHBondContact O-N 3.29Å; E156-S159 PolarHBondContact O-N 3.09Å; E156-S160 WeakPolarHBondContact O-CB 3.37Å; E156-S160 PolarHBondContact O-N 2.92Å; E156-S160 PolarHBondContact O-OG 3.29Å
157S82.3Confident76Confident50 Ų5066.2 Ų66.235%0.3535%0.347SS..Hα-helixtrans-70-38.3-179.3-56.80000112.4S153 V154 S160 S161S153-S157 WeakPolarHBondContact O-CB 3.47Å; S153-S157 PolarHBondContact O-N 3.43Å; S153-S157 PolarHBondContact O-OG 2.97Å; V154-S157 PolarHBondContact O-N 3.34Å; S157-S160 WeakPolarHBondContact CA-OG 3.23Å; S157-S160 PolarHBondContact O-OG 2.91Å; S157-S161 WeakPolarHBondContact O-CB 3.43Å; S157-S161 PolarHBondContact O-N 2.94Å; S157-S161 PolarHBondContact O-OG 3.1Å
158V80.9Confident74.2Confident1 Ų172.6 Ų72.61%0.00638%0.376CS..Hα-helixtrans-67.8-47173.4177.40000109.9I147 V154 S160 S161 F162 F179 L196 F199I147-V158 HydrophobicContact CD1-CG1 3.73Å; I147-V158 HydrophobicContact CD1-CG2 4.26Å; V154-V158 HydrophobicContact CG1-CG2 4.22Å; V154-V158 WeakPolarHBondContact O-CB 3.46Å; V154-V158 VanDerWaalsContact O-CG2 3.23Å; V154-V158 WeakPolarHBondContact O-CG2 3.04Å; V154-V158 PolarHBondContact O-N 3.04Å; V158-S160 VanDerWaalsContact C-N 3.29Å; V158-S160 PolarHBondContact O-N 3.33Å; V158-S161 PolarHBondContact O-N 3.42Å; V158-F162 HydrophobicContact CG1-CD2 3.93Å; V158-F162 HydrophobicContact CG1-CE2 4.49Å; V158-F162 WeakPolarHBondContact O-CB 3.16Å; V158-F162 WeakPolarHBondContact O-CD2 3.15Å; V158-F162 PolarHBondContact O-N 2.99Å; V158-F179 HydrophobicContact CG1-CE2 3.8Å; V158-F179 HydrophobicContact CG1-CZ 3.69Å; V158-L196 HydrophobicContact CG1-CD2 3.93Å; V158-F199 HydrophobicContact CG2-CD1 3.61Å; V158-F199 HydrophobicContact CG2-CE1 3.4Å; V158-F199 VanDerWaalsContact CG2-CE1 3.4Å; V158-F199 HydrophobicContact CG2-CZ 4.25Å
159S77.4Confident72.3Confident25 Ų2578 Ų7818%0.17540%0.401CS..Hα-helixtrans-57.9-41.3179.7-173.30000112.1L155 E156 T163L155-S159 WeakPolarHBondContact O-CB 3.41Å; L155-S159 PolarHBondContact O-N 3.2Å; E156-S159 PolarHBondContact O-N 3.09Å; S159-T163 WeakPolarHBondContact O-CG2 3.37Å; S159-T163 PolarHBondContact O-N 2.89Å
160S76.4Confident70.4Confident72 Ų7282.9 Ų82.950%0.50342%0.424SS..Hα-helixtrans-72.1-46.2176.954.90000113.2E156 S157 V158 F162 T163E156-S160 WeakPolarHBondContact O-CB 3.37Å; E156-S160 PolarHBondContact O-N 2.92Å; E156-S160 PolarHBondContact O-OG 3.29Å; S157-S160 WeakPolarHBondContact CA-OG 3.23Å; S157-S160 PolarHBondContact O-OG 2.91Å; V158-S160 VanDerWaalsContact C-N 3.29Å; V158-S160 PolarHBondContact O-N 3.33Å; S160-F162 VanDerWaalsContact C-N 3.33Å; S160-F162 PolarHBondContact O-N 3.24Å; S160-T163 WeakPolarHBondContact O-CG2 3.3Å; S160-T163 PolarHBondContact O-OG1 2.95Å
161S76.9Confident68.8Low72 Ų7278.2 Ų78.250%0.50341%0.408SS..Hα-helixtrans-69.4-29.6-176.2-58.90000113.2S157 V158S157-S161 WeakPolarHBondContact O-CB 3.43Å; S157-S161 PolarHBondContact O-N 2.94Å; S157-S161 PolarHBondContact O-OG 3.1Å; V158-S161 PolarHBondContact O-N 3.42Å
162F72.6Confident67Low19 Ų1982.1 Ų82.18%0.08344%0.435CS..THydrogen-bonded Turntrans-107.414.9-175.8-66.3-93.8000113.7V158 S160 K164 W165 F179 L192 N195 L196 F199V158-F162 HydrophobicContact CG1-CD2 3.93Å; V158-F162 HydrophobicContact CG1-CE2 4.49Å; V158-F162 WeakPolarHBondContact O-CB 3.16Å; V158-F162 WeakPolarHBondContact O-CD2 3.15Å; V158-F162 PolarHBondContact O-N 2.99Å; S160-F162 VanDerWaalsContact C-N 3.33Å; S160-F162 PolarHBondContact O-N 3.24Å; F162-K164 PolarHBondContact O-N 3.32Å; F162-W165 AromaticContact CD1-CD1 3.9Å; F162-W165 PolarHBondContact O-N 3.24Å; F162-F179 HydrophobicContact CB-CE1 4.04Å; F162-F179 HydrophobicContact CB-CZ 4.26Å; F162-L192 HydrophobicContact CD1-CD1 3.53Å; F162-L192 HydrophobicContact CE1-CD1 3.68Å; F162-N195 HydrophobicContact CE1-CB 4.02Å; F162-N195 HydrophobicContact CZ-CB 4.15Å; F162-L196 HydrophobicContact CD1-CD2 4.2Å; F162-L196 HydrophobicContact CD2-CD2 3.94Å; F162-L196 HydrophobicContact CE1-CD2 3.9Å; F162-L196 HydrophobicContact CE1-CG 4.24Å; F162-L196 HydrophobicContact CE2-CD2 3.64Å; F162-L196 HydrophobicContact CG-CD2 4.22Å; F162-L196 HydrophobicContact CZ-CD2 3.62Å; F162-L196 HydrophobicContact CZ-CG 4.23Å; F162-F199 HydrophobicContact CE2-CB 4.47Å; F162-F199 HydrophobicContact CE2-CD2 4.25Å; F162-F199 HydrophobicContact CE2-CG 4.3Å
163T64.4Low65.7Low82 Ų8285.1 Ų85.150%0.50344%0.441SS..THydrogen-bonded Turntrans-51.9-24.317744.30000115.5S159 S160 W165S159-T163 WeakPolarHBondContact O-CG2 3.37Å; S159-T163 PolarHBondContact O-N 2.89Å; S160-T163 WeakPolarHBondContact O-CG2 3.3Å; S160-T163 PolarHBondContact O-OG1 2.95Å; T163-W165 VanDerWaalsContact C-N 3.27Å; T163-W165 PolarHBondContact O-N 3.4Å
164K61.1Low64.6Low195 Ų19586.8 Ų86.885%0.84844%0.444SS*.THydrogen-bonded Turntrans-71.8-18.7178.6-66.9-178.9179.6177.30113.6F162F162-K164 PolarHBondContact O-N 3.32Å
165W57.9Low64.3Low81 Ų8192 Ų9231%0.30747%0.467SS..SBendtrans-95.9110.8179.2-54.187.7000107.6F162 T163 K167 Q188 L192F162-W165 AromaticContact CD1-CD1 3.9Å; F162-W165 PolarHBondContact O-N 3.24Å; T163-W165 VanDerWaalsContact C-N 3.27Å; T163-W165 PolarHBondContact O-N 3.4Å; W165-K167 PolarHBondContact O-N 2.75Å; W165-Q188 HydrophobicContact CZ3-CB 4.42Å; W165-L192 HydrophobicContact CD2-CD1 4.09Å; W165-L192 HydrophobicContact CD2-CD2 4.3Å; W165-L192 HydrophobicContact CE3-CD2 4.2Å; W165-L192 HydrophobicContact CG-CD1 4.22Å
166T51.2Low64.3Low89 Ų8994.2 Ų94.255%0.54648%0.476SS..  trans-31.9121.3-162.8-40.40000116.1H168T166-H168 PolarHBondContact O-N 3.19Å; T166-H168 VanDerWaalsContact O-N 3.12Å
167K49.3Very low64.3Low137 Ų13789.6 Ų89.660%0.59646%0.456SS*.  trans-8478.3-173.3-157.8179.2-169.4178.70111.7W165W165-K167 PolarHBondContact O-N 2.75Å
168H49.4Very low64.2Low135 Ų13588.5 Ų88.563%0.62545%0.448SS*.  trans-94.898.3161-77.8-65.3000110.2T166T166-H168 PolarHBondContact O-N 3.19Å; T166-H168 VanDerWaalsContact O-N 3.12Å
169M46.8Very low64Low156 Ų15689.3 Ų89.377%0.76845%0.452SS*.  trans73.7108.5162.2-63.717863.800117.8
170M46.6Very low63.9Low106 Ų10690.3 Ų90.352%0.52246%0.457SS..  trans-88.2102.2161.7-174.817692.200106.7S172M170-S172 VanDerWaalsContact C-N 3.33Å; M170-S172 PolarHBondContact O-N 3.32Å
171D50.4Low63.7Low75 Ų7587.7 Ų87.740%0.40144%0.436SS..  trans-86.784.7163.6-154.9-10.6000107.4R173D171-R173 PolarHBondContact O-N 3.13Å; D171-R173 IonicContact OD1-CZ 3.59Å; D171-R173 IonicContact OD1-NE 2.9Å; D171-R173 PolarHBondContact OD1-NE 3.2Å; D171-R173 IonicContact OD1-NH2 3.72Å; D171-R173 IonicContact OD2-NH2 2.99Å
172S48.7Very low63.2Low91 Ų9186.4 Ų86.464%0.63643%0.434SS*.THydrogen-bonded Turntrans-71.413.4-177.658.50000113.4M170M170-S172 VanDerWaalsContact C-N 3.33Å; M170-S172 PolarHBondContact O-N 3.32Å
173R54Low63Low194 Ų19490.8 Ų90.873%0.73247%0.465SS*.THydrogen-bonded Turntrans-92.7-18-174.1-69.3-175.1-73.3-177.50.8113.8D171D171-R173 PolarHBondContact O-N 3.13Å; D171-R173 IonicContact OD1-CZ 3.59Å; D171-R173 IonicContact OD1-NE 2.9Å; D171-R173 PolarHBondContact OD1-NE 3.2Å; D171-R173 IonicContact OD1-NH2 3.72Å; D171-R173 IonicContact OD2-NH2 2.99Å
174D62.2Low63Low105 Ų10587.5 Ų87.556%0.56145%0.445SS*.THydrogen-bonded Turntrans-13233.3-168.3-65.8-39000115.4Q176D174-Q176 PolarHBondContact O-N 2.9Å
175F79.1Confident63.3Low115 Ų11581.9 Ų81.950%0.50442%0.424SS..THydrogen-bonded Turntrans5932.6177.7-56.5-71.2000113.2T148 T149 K150T148-F175 CarbonylContact C-O 3.52Å; T148-F175 WeakPolarHBondContact CA-O 3.38Å; T149-F175 PolarHBondContact N-O 2.96Å; T149-F175 WeakPolarHBondContact O-CB 3.39Å; T149-F175 VanDerWaalsContact O-O 3.12Å; K150-F175 HydrophobicContact CB-CD1 4.43Å; K150-F175 HydrophobicContact CG-CD1 4.35Å; K150-F175 HydrophobicContact CG-CD2 4.39Å; K150-F175 HydrophobicContact CG-CG 4.2Å
176Q81.9Confident63.9Low68 Ų6885.5 Ų85.532%0.31844%0.439SS..EExtended strand (participates in β ladder)trans-135.7142.6-170.3-175.3-179.2-2200111.7T146 I147 D174 S178T146-Q176 HydrophobicContact CG2-CG 3.61Å; I147-Q176 CarbonylContact O-C 3.49Å; I147-Q176 VanDerWaalsContact O-CA 3.24Å; I147-Q176 WeakPolarHBondContact O-CA 3.1Å; D174-Q176 PolarHBondContact O-N 2.9Å; Q176-S178 PolarHBondContact NE2-OG 3.19Å
177V80.3Confident65Low14 Ų1488.6 Ų88.69%0.08545%0.447CS..EExtended strand (participates in β ladder)trans-129.3129170172.20000108.4I147 L155 F179I147-V177 PolarHBondContact N-O 2.99Å; I147-V177 PolarHBondContact O-N 2.83Å; L155-V177 HydrophobicContact CB-CG2 4.21Å; L155-V177 HydrophobicContact CD2-CB 4.32Å; L155-V177 HydrophobicContact CD2-CG2 3.86Å; V177-F179 HydrophobicContact CG1-CD2 4.39Å; V177-F179 HydrophobicContact CG1-CE1 4.16Å; V177-F179 HydrophobicContact CG1-CE2 3.56Å; V177-F179 HydrophobicContact CG1-CZ 3.4Å; V177-F179 VanDerWaalsContact CG1-CZ 3.4Å
178S80.1Confident66.1Low27 Ų2786 Ų8619%0.18944%0.437CS..EExtended strand (participates in β ladder)trans-120.3141.4178.7-53.90000111.1L145 T146 Q176L145-S178 CarbonylContact O-C 3.54Å; L145-S178 VanDerWaalsContact O-CA 3.27Å; L145-S178 WeakPolarHBondContact O-CA 3.42Å; T146-S178 PolarHBondContact OG1-OG 3.02Å; Q176-S178 PolarHBondContact NE2-OG 3.19Å
179F76.9Confident67.1Low17 Ų1779.7 Ų79.78%0.07541%0.408CS..EExtended strand (participates in β ladder)trans-120.7121.4175.6-54.3-86.6000108.1Q144 L145 I147 V158 F162 V177Q144-F179 CarbonylContact C-O 3.47Å; Q144-F179 VanDerWaalsContact CA-O 3.31Å; Q144-F179 WeakPolarHBondContact CA-O 3.38Å; L145-F179 HydrophobicContact CB-CB 4.41Å; L145-F179 HydrophobicContact CB-CD2 4.48Å; L145-F179 PolarHBondContact N-O 3.1Å; L145-F179 PolarHBondContact O-N 3.06Å; I147-F179 HydrophobicContact CD1-CE2 4.47Å; V158-F179 HydrophobicContact CG1-CE2 3.8Å; V158-F179 HydrophobicContact CG1-CZ 3.69Å; F162-F179 HydrophobicContact CB-CE1 4.04Å; F162-F179 HydrophobicContact CB-CZ 4.26Å; V177-F179 HydrophobicContact CG1-CD2 4.39Å; V177-F179 HydrophobicContact CG1-CE1 4.16Å; V177-F179 HydrophobicContact CG1-CE2 3.56Å; V177-F179 HydrophobicContact CG1-CZ 3.4Å; V177-F179 VanDerWaalsContact CG1-CZ 3.4Å
180T75.8Confident68.6Low47 Ų4774.5 Ų74.529%0.28839%0.385SS..EExtended strand (participates in β ladder)trans-115.6123.9175-57.70000108.5I142I142-T180 HydrophobicContact CG2-CG2 3.66Å
181F72.1Confident70.2Confident16 Ų1672 Ų727%0.0738%0.378CS..EExtended strand (participates in β ladder)trans-137.8141.5-178.554.8-77.7000110.2T143 L145 C184 L192T143-F181 HydrophobicContact CG2-CE1 3.83Å; T143-F181 HydrophobicContact CG2-CE2 4.02Å; T143-F181 HydrophobicContact CG2-CZ 3.32Å; T143-F181 PolarHBondContact N-O 2.85Å; T143-F181 VanDerWaalsContact O-CD1 3.3Å; T143-F181 WeakPolarHBondContact O-CD1 3.49Å; T143-F181 WeakPolarHBondContact O-CE1 3.44Å; T143-F181 PolarHBondContact O-N 2.97Å; L145-F181 HydrophobicContact CB-CE1 4.49Å; L145-F181 HydrophobicContact CD1-CE1 3.54Å; L145-F181 HydrophobicContact CD1-CZ 3.77Å; L145-F181 HydrophobicContact CG-CE1 3.94Å; L145-F181 HydrophobicContact CG-CZ 4.32Å; F181-C184 HydrophobicContact CD2-CB 3.71Å; F181-C184 WeakPolarHBondContact CD2-SG 3.26Å; F181-C184 HydrophobicContact CE2-CB 4.2Å; F181-C184 WeakPolarHBondContact CE2-SG 3.41Å; F181-L192 HydrophobicContact CD1-CD2 3.9Å; F181-L192 HydrophobicContact CE1-CD2 3.43Å; F181-L192 VanDerWaalsContact CE1-CD2 3.43Å; F181-L192 HydrophobicContact CE2-CD2 4.13Å; F181-L192 HydrophobicContact CG-CD2 4.47Å; F181-L192 HydrophobicContact CZ-CD2 3.55Å
182G66.7Low71.4Confident45 Ų4568.6 Ų68.646%0.46436%0.36SS..  trans175.2153.6-178.600000110.1
183P68.1Low72.8Confident111 Ų11165.5 Ų65.572%0.72133%0.334SS*.SBendcis-68.7122.8-16.227.2-30.2000110.7V140V140-P183 HydrophobicContact CG1-CB 4.29Å
184C64.1Low74.2Confident13 Ų1359.9 Ų59.99%0.08832%0.321CS..  trans-116.7146.117661.70000110.5F181 Q188F181-C184 HydrophobicContact CD2-CB 3.71Å; F181-C184 WeakPolarHBondContact CD2-SG 3.26Å; F181-C184 HydrophobicContact CE2-CB 4.2Å; F181-C184 WeakPolarHBondContact CE2-SG 3.41Å; C184-Q188 HydrophobicContact CB-CB 4.27Å
185D68.5Low75.2Confident78 Ų7858 Ų5842%0.41731%0.311SS..  trans-75.7167.3173.867.951.5000111.8Q187 Q188 E189D185-Q187 VanDerWaalsContact C-N 3.25Å; D185-Q187 PolarHBondContact O-N 3.26Å; D185-Q187 WeakPolarHBondContact OD1-CA 3.33Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.42Å; D185-Q187 PolarHBondContact OD1-N 2.85Å; D185-Q188 PolarHBondContact O-N 2.85Å; D185-Q188 WeakPolarHBondContact OD1-CG 3.43Å; D185-Q188 PolarHBondContact OD1-N 2.82Å; D185-E189 PolarHBondContact O-N 2.81Å; D185-E189 VanDerWaalsContact O-N 3.1Å
186Y69.2Low75.4Confident157 Ų15752.6 Ų52.662%0.61629%0.287SS*.Hα-helixtrans-61.3-32.6-179.5176.8-101.9000112.9E189 V190Y186-E189 PolarHBondContact O-N 3.37Å; Y186-V190 HydrophobicContact CD1-CG2 4.24Å; Y186-V190 HydrophobicContact CD2-CG2 4.21Å; Y186-V190 HydrophobicContact CE1-CG2 3.78Å; Y186-V190 HydrophobicContact CE2-CG2 3.76Å; Y186-V190 HydrophobicContact CG-CG2 4.44Å; Y186-V190 WeakPolarHBondContact O-CB 3.39Å; Y186-V190 WeakPolarHBondContact O-CG2 3.4Å; Y186-V190 PolarHBondContact O-N 3.42Å
187Q74.1Confident75.6Confident154 Ų15451.1 Ų51.172%0.7228%0.282SS*.Hα-helixtrans-71.6-41.1-179.2-66.9-172-35.600111.1D185 V190 S191D185-Q187 VanDerWaalsContact C-N 3.25Å; D185-Q187 PolarHBondContact O-N 3.26Å; D185-Q187 WeakPolarHBondContact OD1-CA 3.33Å; D185-Q187 WeakPolarHBondContact OD1-CB 3.42Å; D185-Q187 PolarHBondContact OD1-N 2.85Å; Q187-V190 PolarHBondContact O-N 3.21Å; Q187-S191 WeakPolarHBondContact O-CB 3.43Å; Q187-S191 PolarHBondContact O-N 3.39Å
188Q72.6Confident75.9Confident81 Ų8154.6 Ų54.638%0.37930%0.297SS..Hα-helixtrans-61.4-44.3173.2-69.1172.9-13.400111.4W165 C184 D185 L192W165-Q188 HydrophobicContact CZ3-CB 4.42Å; C184-Q188 HydrophobicContact CB-CB 4.27Å; D185-Q188 PolarHBondContact O-N 2.85Å; D185-Q188 WeakPolarHBondContact OD1-CG 3.43Å; D185-Q188 PolarHBondContact OD1-N 2.82Å; Q188-L192 WeakPolarHBondContact O-CB 3.34Å; Q188-L192 PolarHBondContact O-N 3.49Å
189E71.9Confident76.3Confident3 Ų355.7 Ų55.71%0.01430%0.299CS..Hα-helixtrans-59.3-49.7176.8-173.4-171.5146.800112R129 T143 D185 Y186 R193R129-E189 WeakPolarHBondContact CD-OE1 3.47Å; R129-E189 IonicContact CZ-OE2 3.8Å; R129-E189 IonicContact NE-OE1 3.05Å; R129-E189 PolarHBondContact NE-OE1 2.98Å; R129-E189 IonicContact NE-OE2 3.96Å; R129-E189 PolarHBondContact NE-OE2 2.72Å; R129-E189 IonicContact NH2-OE2 3.6Å; T143-E189 HydrophobicContact CG2-CG 4.15Å; D185-E189 PolarHBondContact O-N 2.81Å; D185-E189 VanDerWaalsContact O-N 3.1Å; Y186-E189 PolarHBondContact O-N 3.37Å; E189-R193 PolarHBondContact O-N 2.72Å; E189-R193 IonicContact OE1-CZ 3.52Å; E189-R193 IonicContact OE1-NH1 2.66Å; E189-R193 PolarHBondContact OE1-NH1 3.28Å; E189-R193 IonicContact OE1-NH2 3.06Å; E189-R193 PolarHBondContact OE1-NH2 3.33Å
190V77.4Confident76.8Confident48 Ų4855 Ų5529%0.29130%0.295SS..Hα-helixtrans-67.9-45.5179.5171.90000111.2Y186 Q187 L192 R193 V194Y186-V190 HydrophobicContact CD1-CG2 4.24Å; Y186-V190 HydrophobicContact CD2-CG2 4.21Å; Y186-V190 HydrophobicContact CE1-CG2 3.78Å; Y186-V190 HydrophobicContact CE2-CG2 3.76Å; Y186-V190 HydrophobicContact CG-CG2 4.44Å; Y186-V190 WeakPolarHBondContact O-CB 3.39Å; Y186-V190 WeakPolarHBondContact O-CG2 3.4Å; Y186-V190 PolarHBondContact O-N 3.42Å; Q187-V190 PolarHBondContact O-N 3.21Å; V190-L192 VanDerWaalsContact C-N 3.31Å; V190-L192 PolarHBondContact O-N 3.3Å; V190-R193 PolarHBondContact O-N 2.95Å; V190-V194 HydrophobicContact CG1-CG2 4.16Å; V190-V194 WeakPolarHBondContact O-CG2 3.41Å; V190-V194 PolarHBondContact O-N 2.9Å
191S79.9Confident77.4Confident54 Ų5455.4 Ų55.438%0.37830%0.3SS..Hα-helixtrans-58.7-43.6-179.9-178.70000111.2Q187 V194 N195Q187-S191 WeakPolarHBondContact O-CB 3.43Å; Q187-S191 PolarHBondContact O-N 3.39Å; S191-V194 PolarHBondContact O-N 2.82Å; S191-N195 WeakPolarHBondContact O-CB 3.34Å; S191-N195 VanDerWaalsContact O-CG 3.25Å; S191-N195 PolarHBondContact O-N 2.89Å; S191-N195 PolarHBondContact O-ND2 2.87Å; S191-N195 PolarHBondContact OG-ND2 3.34Å
192L75.4Confident78.1Confident2 Ų262.3 Ų62.31%0.0133%0.33CS..Hα-helixtrans-66-42.9179-173.858.7000112.1L145 F162 W165 F181 Q188 V190 N195 L196L145-L192 HydrophobicContact CD1-CB 4.28Å; L145-L192 HydrophobicContact CD1-CD2 3.42Å; L145-L192 VanDerWaalsContact CD1-CD2 3.42Å; L145-L192 HydrophobicContact CD1-CG 3.52Å; F162-L192 HydrophobicContact CD1-CD1 3.53Å; F162-L192 HydrophobicContact CE1-CD1 3.68Å; W165-L192 HydrophobicContact CD2-CD1 4.09Å; W165-L192 HydrophobicContact CD2-CD2 4.3Å; W165-L192 HydrophobicContact CE3-CD2 4.2Å; W165-L192 HydrophobicContact CG-CD1 4.22Å; F181-L192 HydrophobicContact CD1-CD2 3.9Å; F181-L192 HydrophobicContact CE1-CD2 3.43Å; F181-L192 VanDerWaalsContact CE1-CD2 3.43Å; F181-L192 HydrophobicContact CE2-CD2 4.13Å; F181-L192 HydrophobicContact CG-CD2 4.47Å; F181-L192 HydrophobicContact CZ-CD2 3.55Å; Q188-L192 WeakPolarHBondContact O-CB 3.34Å; Q188-L192 PolarHBondContact O-N 3.49Å; V190-L192 VanDerWaalsContact C-N 3.31Å; V190-L192 PolarHBondContact O-N 3.3Å; L192-N195 PolarHBondContact O-N 3.43Å; L192-L196 HydrophobicContact CD1-CG 4.49Å; L192-L196 HydrophobicContact CG-CD1 4.46Å; L192-L196 WeakPolarHBondContact O-CG 3.24Å; L192-L196 PolarHBondContact O-N 2.98Å
193R78.2Confident79Confident27 Ų2761.5 Ų61.510%0.10232%0.32CS..Hα-helixtrans-58-51.7173.5-75.2179.4-176.6138.610.7111.3S127 L145 E189 V190 N195 L196 L197S127-R193 VanDerWaalsContact OG-CZ 3.32Å; S127-R193 PolarHBondContact OG-NE 3.45Å; S127-R193 PolarHBondContact OG-NH2 3.22Å; L145-R193 HydrophobicContact CD2-CG 4.08Å; E189-R193 PolarHBondContact O-N 2.72Å; E189-R193 IonicContact OE1-CZ 3.52Å; E189-R193 IonicContact OE1-NH1 2.66Å; E189-R193 PolarHBondContact OE1-NH1 3.28Å; E189-R193 IonicContact OE1-NH2 3.06Å; E189-R193 PolarHBondContact OE1-NH2 3.33Å; V190-R193 PolarHBondContact O-N 2.95Å; R193-N195 VanDerWaalsContact C-N 3.34Å; R193-N195 PolarHBondContact O-N 2.73Å; R193-L196 PolarHBondContact O-N 2.91Å; R193-L197 VanDerWaalsContact O-CG 3.22Å; R193-L197 WeakPolarHBondContact O-CG 3.48Å; R193-L197 PolarHBondContact O-N 3.27Å
194V83.5Confident80Confident76 Ų7658.5 Ų58.546%0.46131%0.308SS..Hα-helixtrans-59.4-45.8-178.9172.50000110.8V190 S191 L196 L197 E198V190-V194 HydrophobicContact CG1-CG2 4.16Å; V190-V194 WeakPolarHBondContact O-CG2 3.41Å; V190-V194 PolarHBondContact O-N 2.9Å; S191-V194 PolarHBondContact O-N 2.82Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.21Å; V194-L197 PolarHBondContact O-N 2.77Å; V194-E198 VanDerWaalsContact O-CB 3.32Å; V194-E198 WeakPolarHBondContact O-CB 3.43Å; V194-E198 PolarHBondContact O-N 2.94Å
195N84.4Confident81.2Confident65 Ų6558.1 Ų58.135%0.34831%0.305SS..Hα-helixtrans-61.7-39.1177.7-75.8-47.9000112.4F162 S191 L192 R193 F199F162-N195 HydrophobicContact CE1-CB 4.02Å; F162-N195 HydrophobicContact CZ-CB 4.15Å; S191-N195 WeakPolarHBondContact O-CB 3.34Å; S191-N195 VanDerWaalsContact O-CG 3.25Å; S191-N195 PolarHBondContact O-N 2.89Å; S191-N195 PolarHBondContact O-ND2 2.87Å; S191-N195 PolarHBondContact OG-ND2 3.34Å; L192-N195 PolarHBondContact O-N 3.43Å; R193-N195 VanDerWaalsContact C-N 3.34Å; R193-N195 PolarHBondContact O-N 2.73Å; N195-F199 WeakPolarHBondContact O-CB 3.31Å; N195-F199 PolarHBondContact O-N 2.72Å
196L83.2Confident82.1Confident1 Ų157.3 Ų57.31%0.00531%0.309CS..Hα-helixtrans-70-43.3176-73.2176.7000112.4L125 L145 I147 V158 F162 L192 R193 V194 E198 F199 I200L125-L196 HydrophobicContact CD1-CD1 4.12Å; L125-L196 HydrophobicContact CD2-CB 4.3Å; L145-L196 HydrophobicContact CB-CD1 4.31Å; L145-L196 HydrophobicContact CD1-CD1 3.75Å; L145-L196 HydrophobicContact CD2-CD1 4.4Å; L145-L196 HydrophobicContact CG-CD1 4.4Å; I147-L196 HydrophobicContact CD1-CD1 4.33Å; I147-L196 HydrophobicContact CD1-CD2 3.94Å; V158-L196 HydrophobicContact CG1-CD2 3.93Å; F162-L196 HydrophobicContact CD1-CD2 4.2Å; F162-L196 HydrophobicContact CD2-CD2 3.94Å; F162-L196 HydrophobicContact CE1-CD2 3.9Å; F162-L196 HydrophobicContact CE1-CG 4.24Å; F162-L196 HydrophobicContact CE2-CD2 3.64Å; F162-L196 HydrophobicContact CG-CD2 4.22Å; F162-L196 HydrophobicContact CZ-CD2 3.62Å; F162-L196 HydrophobicContact CZ-CG 4.23Å; L192-L196 HydrophobicContact CD1-CG 4.49Å; L192-L196 HydrophobicContact CG-CD1 4.46Å; L192-L196 WeakPolarHBondContact O-CG 3.24Å; L192-L196 PolarHBondContact O-N 2.98Å; R193-L196 PolarHBondContact O-N 2.91Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.21Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 2.89Å; L196-F199 PolarHBondContact O-N 3.07Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.48Å; L196-I200 PolarHBondContact O-N 3.19Å
197L85.3Confident83.1Confident37 Ų3754 Ų5419%0.19430%0.302CS..Hα-helixtrans-59.1-44.8175.2-66171.6000110.4L125 R193 V194 S201 W228 F230L125-L197 HydrophobicContact CD2-CD2 3.79Å; L125-L197 HydrophobicContact CD2-CG 4.36Å; R193-L197 VanDerWaalsContact O-CG 3.22Å; R193-L197 WeakPolarHBondContact O-CG 3.48Å; R193-L197 PolarHBondContact O-N 3.27Å; V194-L197 PolarHBondContact O-N 2.77Å; L197-S201 WeakPolarHBondContact O-CB 3.4Å; L197-S201 PolarHBondContact O-N 3.35Å; L197-S201 PolarHBondContact O-OG 3.33Å; L197-W228 HydrophobicContact CD2-CD2 3.99Å; L197-W228 HydrophobicContact CD2-CG 3.96Å; L197-F230 HydrophobicContact CD2-CE2 4.21Å; L197-F230 HydrophobicContact CD2-CZ 3.51Å
198E87.3Confident83.7Confident87 Ų8753.7 Ų53.741%0.40729%0.294SS..Hα-helixtrans-66-40.6177.5-168.3-174.916500111.6V194 L196 S201 K202V194-E198 VanDerWaalsContact O-CB 3.32Å; V194-E198 WeakPolarHBondContact O-CB 3.43Å; V194-E198 PolarHBondContact O-N 2.94Å; L196-E198 VanDerWaalsContact C-N 3.3Å; L196-E198 PolarHBondContact O-N 2.89Å; E198-S201 PolarHBondContact O-N 3.02Å; E198-K202 HydrophobicContact CG-CD 4.2Å; E198-K202 WeakPolarHBondContact O-CB 3.32Å; E198-K202 WeakPolarHBondContact O-CG 3.12Å; E198-K202 PolarHBondContact O-N 2.95Å; E198-K202 WeakPolarHBondContact OE1-CE 3.38Å; E198-K202 IonicContact OE1-NZ 3.46Å; E198-K202 PolarHBondContact OE1-NZ 2.89Å
199F87.1Confident84.3Confident51 Ų5152.7 Ų52.722%0.22429%0.291CS..Hα-helixtrans-61-49.5176.7-176.1-85000111.8V158 F162 N195 L196 S201 K202 A203V158-F199 HydrophobicContact CG2-CD1 3.61Å; V158-F199 HydrophobicContact CG2-CE1 3.4Å; V158-F199 VanDerWaalsContact CG2-CE1 3.4Å; V158-F199 HydrophobicContact CG2-CZ 4.25Å; F162-F199 HydrophobicContact CE2-CB 4.47Å; F162-F199 HydrophobicContact CE2-CD2 4.25Å; F162-F199 HydrophobicContact CE2-CG 4.3Å; N195-F199 WeakPolarHBondContact O-CB 3.31Å; N195-F199 PolarHBondContact O-N 2.72Å; L196-F199 PolarHBondContact O-N 3.07Å; F199-S201 VanDerWaalsContact C-N 3.28Å; F199-S201 PolarHBondContact O-N 2.88Å; F199-K202 PolarHBondContact O-N 3.07Å; F199-A203 PolarHBondContact O-N 3.47Å
200I87.9Confident85Confident1 Ų156.4 Ų56.41%0.00531%0.314CS..Hα-helixtrans-62.1-40.4177.9-65.7165.1000110.2V123 L125 L196 A203 F205 F230V123-I200 HydrophobicContact CB-CG2 4.36Å; V123-I200 HydrophobicContact CG1-CD1 3.91Å; V123-I200 HydrophobicContact CG1-CG1 4.26Å; V123-I200 HydrophobicContact CG1-CG2 4.28Å; L125-I200 HydrophobicContact CB-CD1 4.3Å; L125-I200 HydrophobicContact CD2-CD1 4.29Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.48Å; L196-I200 PolarHBondContact O-N 3.19Å; I200-A203 WeakPolarHBondContact O-CB 3.5Å; I200-A203 PolarHBondContact O-N 2.65Å; I200-F205 HydrophobicContact CG2-CB 3.64Å; I200-F205 HydrophobicContact CG2-CD2 4.43Å; I200-F205 HydrophobicContact CG2-CG 4.16Å; I200-F205 WeakPolarHBondContact O-CB 3.16Å; I200-F205 PolarHBondContact O-N 3.16Å; I200-F230 HydrophobicContact CB-CD1 4.46Å; I200-F230 HydrophobicContact CB-CE1 4.27Å; I200-F230 HydrophobicContact CB-CZ 4.36Å; I200-F230 HydrophobicContact CD1-CD2 4.37Å; I200-F230 HydrophobicContact CD1-CE2 3.96Å; I200-F230 HydrophobicContact CD1-CZ 4.29Å; I200-F230 HydrophobicContact CG2-CB 3.99Å; I200-F230 HydrophobicContact CG2-CD1 3.54Å; I200-F230 HydrophobicContact CG2-CD2 3.87Å; I200-F230 HydrophobicContact CG2-CE1 3.82Å; I200-F230 HydrophobicContact CG2-CE2 4.15Å; I200-F230 HydrophobicContact CG2-CG 3.55Å; I200-F230 HydrophobicContact CG2-CZ 4.12Å
201S87.5Confident85.4Confident57 Ų5761.8 Ų61.840%0.39933%0.329SS..Hα-helixtrans-64.6-41.9176.3-560000112.5L197 E198 F199 A203 G204 F205L197-S201 WeakPolarHBondContact O-CB 3.4Å; L197-S201 PolarHBondContact O-N 3.35Å; L197-S201 PolarHBondContact O-OG 3.33Å; E198-S201 PolarHBondContact O-N 3.02Å; F199-S201 VanDerWaalsContact C-N 3.28Å; F199-S201 PolarHBondContact O-N 2.88Å; S201-A203 VanDerWaalsContact C-N 3.26Å; S201-A203 PolarHBondContact O-N 3.22Å; S201-G204 WeakPolarHBondContact O-CA 3.4Å; S201-G204 PolarHBondContact O-N 3.32Å; S201-F205 WeakPolarHBondContact CA-O 3.49Å
202K88.4Confident85.6Confident160 Ų16062.9 Ų62.970%0.69633%0.334SS*.Hα-helixtrans-65.6-28174.7-80.5173.5168.6165.90112.8E198 F199 G204E198-K202 HydrophobicContact CG-CD 4.2Å; E198-K202 WeakPolarHBondContact O-CB 3.32Å; E198-K202 WeakPolarHBondContact O-CG 3.12Å; E198-K202 PolarHBondContact O-N 2.95Å; E198-K202 WeakPolarHBondContact OE1-CE 3.38Å; E198-K202 IonicContact OE1-NZ 3.46Å; E198-K202 PolarHBondContact OE1-NZ 2.89Å; F199-K202 PolarHBondContact O-N 3.07Å; K202-G204 PolarHBondContact O-N 3.08Å
203A85.8Confident85.8Confident29 Ų2967.1 Ų67.124%0.2436%0.356CS..THydrogen-bonded Turntrans-72.73.2169.300000112.9F199 I200 S201 F205 R232F199-A203 PolarHBondContact O-N 3.47Å; I200-A203 WeakPolarHBondContact O-CB 3.5Å; I200-A203 PolarHBondContact O-N 2.65Å; S201-A203 VanDerWaalsContact C-N 3.26Å; S201-A203 PolarHBondContact O-N 3.22Å; A203-F205 HydrophobicContact CB-CD2 3.91Å; A203-F205 HydrophobicContact CB-CE2 4.17Å; A203-R232 PolarHBondContact O-NH1 2.93Å
204G87.3Confident85.8Confident47 Ų4772.9 Ų72.949%0.48538%0.383SS..THydrogen-bonded Turntrans8711.6174.800000114.4S201 K202 R232S201-G204 WeakPolarHBondContact O-CA 3.4Å; S201-G204 PolarHBondContact O-N 3.32Å; K202-G204 PolarHBondContact O-N 3.08Å; G204-R232 VanDerWaalsContact O-CD 3.29Å; G204-R232 WeakPolarHBondContact O-CD 3.33Å; G204-R232 WeakPolarHBondContact O-CG 3.5Å
205F90.2Very high85.1Confident5 Ų573.4 Ų73.42%0.02238%0.382CS..PPolyproline II helixtrans-89.6133.7175.7-69.1-97.6000110.9E121 V123 V151 V154 I200 S201 A203 F230 R232E121-F205 HydrophobicContact CB-CE1 3.64Å; E121-F205 HydrophobicContact CB-CZ 3.94Å; V123-F205 HydrophobicContact CB-CD1 4.39Å; V123-F205 HydrophobicContact CG2-CD1 3.74Å; V123-F205 HydrophobicContact CG2-CD2 4.35Å; V123-F205 HydrophobicContact CG2-CE1 3.53Å; V123-F205 HydrophobicContact CG2-CE2 4.17Å; V123-F205 HydrophobicContact CG2-CG 4.16Å; V123-F205 HydrophobicContact CG2-CZ 3.78Å; V151-F205 HydrophobicContact CG2-CZ 4.08Å; V154-F205 HydrophobicContact CG2-CE2 3.88Å; V154-F205 HydrophobicContact CG2-CZ 4.33Å; I200-F205 HydrophobicContact CG2-CB 3.64Å; I200-F205 HydrophobicContact CG2-CD2 4.43Å; I200-F205 HydrophobicContact CG2-CG 4.16Å; I200-F205 WeakPolarHBondContact O-CB 3.16Å; I200-F205 PolarHBondContact O-N 3.16Å; S201-F205 WeakPolarHBondContact CA-O 3.49Å; A203-F205 HydrophobicContact CB-CD2 3.91Å; A203-F205 HydrophobicContact CB-CE2 4.17Å; F205-F230 HydrophobicContact CB-CB 3.8Å; F205-F230 HydrophobicContact CB-CD1 4.41Å; F205-F230 HydrophobicContact CB-CG 4.49Å; F205-F230 HydrophobicContact CD1-CB 4.42Å; F205-R232 HydrophobicContact CD1-CB 3.64Å; F205-R232 HydrophobicContact CD2-CB 4.5Å; F205-R232 HydrophobicContact CE1-CB 3.78Å; F205-R232 HydrophobicContact CG-CB 4Å; F205-R232 HydrophobicContact CZ-CB 4.27Å
206A88.3Confident84.1Confident61 Ų6174.9 Ų74.950%0.50440%0.397SS..EExtended strand (participates in β ladder)trans-99.7144.5176.100000110.8R208 F230 C231A206-R208 PolarHBondContact O-N 2.98Å; A206-F230 CarbonylContact O-C 3.52Å; A206-F230 WeakPolarHBondContact O-CA 3.25Å; A206-F230 WeakPolarHBondContact O-CB 3.45Å; A206-C231 PolarHBondContact N-O 3.31Å; A206-C231 PolarHBondContact O-N 2.93Å
207I88.7Confident82.8Confident89 Ų8981.9 Ų81.946%0.45643%0.43SS..EExtended strand (participates in β ladder)trans-64.8122.2173.5-64171.8000108.6T210 F230I207-T210 HydrophobicContact CG2-CG2 3.64Å; I207-F230 HydrophobicContact CB-CD1 4.41Å; I207-F230 HydrophobicContact CB-CE1 4.43Å; I207-F230 HydrophobicContact CD1-CE1 4.11Å; I207-F230 HydrophobicContact CG1-CD1 3.65Å; I207-F230 HydrophobicContact CG1-CE1 3.26Å; I207-F230 HydrophobicContact CG1-CZ 3.92Å
208R87.4Confident81.5Confident146 Ų14688.3 Ų88.355%0.55145%0.452SS*.EExtended strand (participates in β ladder)trans-97.1-41.3174.8-165.9-178-149.8157.717.5112E120 A206 T229E120-R208 IonicContact OE1-CZ 2.7Å; E120-R208 IonicContact OE1-NH1 3.23Å; E120-R208 IonicContact OE1-NH2 3.22Å; E120-R208 PolarHBondContact OE1-NH2 3.24Å; E120-R208 IonicContact OE2-CZ 3.08Å; E120-R208 VanDerWaalsContact OE2-CZ 3.22Å; E120-R208 IonicContact OE2-NH1 2.64Å; E120-R208 PolarHBondContact OE2-NH1 3.04Å; E120-R208 IonicContact OE2-NH2 2.79Å; E120-R208 PolarHBondContact OE2-NH2 3.1Å; A206-R208 PolarHBondContact O-N 2.98Å; R208-T229 WeakPolarHBondContact CB-O 3.44Å; R208-T229 PolarHBondContact N-O 3.34Å
209N84.5Confident79.8Confident61 Ų6189 Ų8933%0.32647%0.472SS..EExtended strand (participates in β ladder)trans-150.2148.1-174.4-166.511.3000111.1R211 W228 T229N209-R211 PolarHBondContact ND2-NE 3.31Å; N209-W228 WeakPolarHBondContact O-CA 3.39Å; N209-T229 PolarHBondContact N-O 3.17Å; N209-T229 PolarHBondContact O-N 3.29Å
210T87.2Confident78.1Confident81 Ų8191.3 Ų91.350%0.49749%0.487SS..EExtended strand (participates in β ladder)trans-135.3132.9175.663.40000109.5I207 H227 W228I207-T210 HydrophobicContact CG2-CG2 3.64Å; T210-H227 CarbonylContact C-O 3.53Å; T210-H227 WeakPolarHBondContact CA-O 3.29Å; T210-W228 VanDerWaalsContact CG2-CD1 3.44Å; T210-W228 HydrophobicContact CG2-CG 4.42Å
211R85.3Confident76.6Confident161 Ų16194.3 Ų94.361%0.60850%0.501SS*.EExtended strand (participates in β ladder)trans-134.8145.1177.6-66.1179.9174.5164.60.3110.1N209 H227N209-R211 PolarHBondContact ND2-NE 3.31Å; R211-H227 HydrophobicContact CB-CB 4.43Å; R211-H227 PolarHBondContact N-O 2.82Å; R211-H227 PolarHBondContact O-N 2.88Å
212V84.8Confident75.6Confident77 Ų7796.1 Ų96.147%0.46751%0.506SS..EExtended strand (participates in β ladder)trans-124.9125.3172.9-172.30000108V224 E225V212-V224 HydrophobicContact CG1-CG1 4.17Å; V212-E225 CarbonylContact C-O 3.54Å; V212-E225 WeakPolarHBondContact CA-O 3.48Å
213L79.6Confident74.9Confident91 Ų9189.4 Ų89.448%0.47648%0.478SS..EExtended strand (participates in β ladder)trans-115.9124.1179-66.8168.3000108.7E225L213-E225 HydrophobicContact CB-CB 4.37Å; L213-E225 PolarHBondContact N-O 3.04Å; L213-E225 PolarHBondContact O-N 2.91Å
214H78.3Confident74.6Confident148 Ų14889.5 Ų89.569%0.68548%0.476SS*.EExtended strand (participates in β ladder)trans-100.7114.6172.2-69.9-99.1000107.9
215M68.4Low74.4Confident87 Ų8789.4 Ų89.443%0.42946%0.463SS..EExtended strand (participates in β ladder)trans-117.9122.8-179.4-55.8-170.886.200109.3T223M215-T223 PolarHBondContact N-O 3.13Å; M215-T223 PolarHBondContact O-N 3.39Å; M215-T223 VanDerWaalsContact O-O 3.06Å
216S64.6Low74.3Confident95 Ų9591.4 Ų91.466%0.66447%0.472SS*.EExtended strand (participates in β ladder)trans-113.994.1169.363.70000108.4R218S216-R218 VanDerWaalsContact C-N 3.33Å
217E55.3Low74.3Confident148 Ų14890.6 Ų90.669%0.69246%0.458SS*.EExtended strand (participates in β ladder)trans-76.3-24.3177.2-69.8-175.2163.900111.4
218R57.1Low74.4Confident173 Ų17388 Ų8865%0.65344%0.442SS*.EExtended strand (participates in β ladder)trans-150.1158178.1-63-179.4-179.3166.2-0.7111.7S216 N220 E221S216-R218 VanDerWaalsContact C-N 3.33Å; R218-N220 PolarHBondContact O-N 2.98Å; R218-E221 HydrophobicContact CB-CB 4.49Å; R218-E221 PolarHBondContact O-N 3.37Å; R218-E221 VanDerWaalsContact O-N 3.1Å
219A51.3Low74.6Confident101 Ų10182.2 Ų82.284%0.83542%0.423SS*.THydrogen-bonded Turntrans-56.3-13.8-178.600000115.8
220N51.6Low74.9Confident99 Ų9979.3 Ų79.353%0.52941%0.408SS..THydrogen-bonded Turntrans-120.83.6-176.7-68.2-28.1000114.3R218R218-N220 PolarHBondContact O-N 2.98Å
221E57.7Low75Confident65 Ų6576.3 Ų76.330%0.30439%0.39SS..EExtended strand (participates in β ladder)trans-124.2103.9-177.5-72.6170.4-161.500109R218R218-E221 HydrophobicContact CB-CB 4.49Å; R218-E221 PolarHBondContact O-N 3.37Å; R218-E221 VanDerWaalsContact O-N 3.1Å
222N66.3Low75.2Confident95 Ų9572 Ų7251%0.50837%0.374SS..EExtended strand (participates in β ladder)trans-97.1112172-72-6.8000107.9L131L131-N222 HydrophobicContact CB-CB 4.46Å; L131-N222 HydrophobicContact CD2-CB 4.46Å; L131-N222 PolarHBondContact N-O 3.5Å
223T72.6Confident75Confident19 Ų1973 Ų7312%0.11738%0.381CS..EExtended strand (participates in β ladder)trans-104.9126.1172.4-59.30000109.1T128 R129 K130 M215T128-T223 HydrophobicContact CG2-CG2 3.57Å; R129-T223 WeakPolarHBondContact O-CA 3.46Å; K130-T223 HydrophobicContact CG-CG2 4.17Å; M215-T223 PolarHBondContact N-O 3.13Å; M215-T223 PolarHBondContact O-N 3.39Å; M215-T223 VanDerWaalsContact O-O 3.06Å
224V80.1Confident74.8Confident30 Ų3069.6 Ų69.618%0.18237%0.365CS..EExtended strand (participates in β ladder)trans-116.5122.5171.9-176.40000107.8R129 V212R129-V224 PolarHBondContact N-O 3.26Å; R129-V224 PolarHBondContact O-N 3Å; V212-V224 HydrophobicContact CG1-CG1 4.17Å
225E84.2Confident74.5Confident45 Ų4569.1 Ų69.121%0.2136%0.362CS..EExtended strand (participates in β ladder)trans-111.7126.7175.2-175.1175.9-172.200110S127 V212 L213S127-E225 CarbonylContact O-C 3.52Å; S127-E225 VanDerWaalsContact O-CA 3.3Å; S127-E225 WeakPolarHBondContact O-CA 3.48Å; V212-E225 CarbonylContact C-O 3.54Å; V212-E225 WeakPolarHBondContact CA-O 3.48Å; L213-E225 HydrophobicContact CB-CB 4.37Å; L213-E225 PolarHBondContact N-O 3.04Å; L213-E225 PolarHBondContact O-N 2.91Å
226H86.6Confident73.9Confident47 Ų4772.5 Ų72.522%0.21838%0.375CS..EExtended strand (participates in β ladder)trans-106136.8167.8-60.279000108.5S126 S127 W228S126-H226 CarbonylContact C-O 3.56Å; S126-H226 VanDerWaalsContact CA-O 3.26Å; S126-H226 WeakPolarHBondContact CA-O 3.36Å; S127-H226 PolarHBondContact N-O 3.5Å; S127-H226 PolarHBondContact O-N 2.85Å; H226-W228 HydrophobicContact CB-CE3 4.17Å; H226-W228 HydrophobicContact CB-CH2 3.14Å; H226-W228 HydrophobicContact CB-CZ2 3.75Å; H226-W228 HydrophobicContact CB-CZ3 3.38Å; H226-W228 AromaticContact CG-CH2 3.83Å
227H88.9Confident73.4Confident44 Ų4471 Ų7120%0.20438%0.375CS..EExtended strand (participates in β ladder)trans-130.1129.5-179.9-166.198.1000109.6L125 T210 R211L125-H227 CarbonylContact O-C 3.5Å; L125-H227 WeakPolarHBondContact O-CA 3.32Å; T210-H227 CarbonylContact C-O 3.53Å; T210-H227 WeakPolarHBondContact CA-O 3.29Å; R211-H227 HydrophobicContact CB-CB 4.43Å; R211-H227 PolarHBondContact N-O 2.82Å; R211-H227 PolarHBondContact O-N 2.88Å
228W91.3Very high73Confident34 Ų3470.3 Ų70.313%0.12938%0.375CS..EExtended strand (participates in β ladder)trans-123.5131.8176.2-62.1-96.8000109.2E124 L125 L197 N209 T210 H226 F230E124-W228 WeakPolarHBondContact CA-O 3.33Å; L125-W228 HydrophobicContact CB-CB 4.41Å; L125-W228 HydrophobicContact CB-CE3 4.41Å; L125-W228 HydrophobicContact CD2-CE3 3.97Å; L125-W228 HydrophobicContact CD2-CZ3 4.39Å; L125-W228 HydrophobicContact CG-CE3 3.99Å; L125-W228 HydrophobicContact CG-CZ3 4.46Å; L125-W228 PolarHBondContact N-O 2.99Å; L125-W228 PolarHBondContact O-N 3.47Å; L197-W228 HydrophobicContact CD2-CD2 3.99Å; L197-W228 HydrophobicContact CD2-CG 3.96Å; N209-W228 WeakPolarHBondContact O-CA 3.39Å; T210-W228 VanDerWaalsContact CG2-CD1 3.44Å; T210-W228 HydrophobicContact CG2-CG 4.42Å; H226-W228 HydrophobicContact CB-CE3 4.17Å; H226-W228 HydrophobicContact CB-CH2 3.14Å; H226-W228 HydrophobicContact CB-CZ2 3.75Å; H226-W228 HydrophobicContact CB-CZ3 3.38Å; H226-W228 AromaticContact CG-CH2 3.83Å; W228-F230 HydrophobicContact CB-CD2 4.25Å; W228-F230 HydrophobicContact CB-CE2 3.56Å; W228-F230 HydrophobicContact CB-CZ 4.17Å; W228-F230 HydrophobicContact CG-CE2 4.49Å
229T90.4Very high72.3Confident25 Ų2575.2 Ų75.215%0.15340%0.396CS..EExtended strand (participates in β ladder)trans-110.6127.3171.3-48.80000108.1V122 E124 R208 N209V122-T229 HydrophobicContact CG1-CG2 3.83Å; E124-T229 HydrophobicContact CG-CG2 4.39Å; R208-T229 WeakPolarHBondContact CB-O 3.44Å; R208-T229 PolarHBondContact N-O 3.34Å; N209-T229 PolarHBondContact N-O 3.17Å; N209-T229 PolarHBondContact O-N 3.29Å
230F91.9Very high73.3Confident0 Ų074 Ų740%037%0.374CS..EExtended strand (participates in β ladder)trans-115.5145.7175.5-55.8-108.5000110.9V122 V123 L125 L197 I200 F205 A206 I207 W228V122-F230 WeakPolarHBondContact CA-O 3.48Å; V123-F230 HydrophobicContact CB-CB 4.33Å; V123-F230 PolarHBondContact N-O 3.37Å; V123-F230 PolarHBondContact O-N 2.96Å; L125-F230 HydrophobicContact CB-CE2 4.19Å; L197-F230 HydrophobicContact CD2-CE2 4.21Å; L197-F230 HydrophobicContact CD2-CZ 3.51Å; I200-F230 HydrophobicContact CB-CD1 4.46Å; I200-F230 HydrophobicContact CB-CE1 4.27Å; I200-F230 HydrophobicContact CB-CZ 4.36Å; I200-F230 HydrophobicContact CD1-CD2 4.37Å; I200-F230 HydrophobicContact CD1-CE2 3.96Å; I200-F230 HydrophobicContact CD1-CZ 4.29Å; I200-F230 HydrophobicContact CG2-CB 3.99Å; I200-F230 HydrophobicContact CG2-CD1 3.54Å; I200-F230 HydrophobicContact CG2-CD2 3.87Å; I200-F230 HydrophobicContact CG2-CE1 3.82Å; I200-F230 HydrophobicContact CG2-CE2 4.15Å; I200-F230 HydrophobicContact CG2-CG 3.55Å; I200-F230 HydrophobicContact CG2-CZ 4.12Å; F205-F230 HydrophobicContact CB-CB 3.8Å; F205-F230 HydrophobicContact CB-CD1 4.41Å; F205-F230 HydrophobicContact CB-CG 4.49Å; F205-F230 HydrophobicContact CD1-CB 4.42Å; A206-F230 CarbonylContact O-C 3.52Å; A206-F230 WeakPolarHBondContact O-CA 3.25Å; A206-F230 WeakPolarHBondContact O-CB 3.45Å; I207-F230 HydrophobicContact CB-CD1 4.41Å; I207-F230 HydrophobicContact CB-CE1 4.43Å; I207-F230 HydrophobicContact CD1-CE1 4.11Å; I207-F230 HydrophobicContact CG1-CD1 3.65Å; I207-F230 HydrophobicContact CG1-CE1 3.26Å; I207-F230 HydrophobicContact CG1-CZ 3.92Å; W228-F230 HydrophobicContact CB-CD2 4.25Å; W228-F230 HydrophobicContact CB-CE2 3.56Å; W228-F230 HydrophobicContact CB-CZ 4.17Å; W228-F230 HydrophobicContact CG-CE2 4.49Å
231C88.9Confident74.5Confident19 Ų1972.6 Ų72.613%0.12837%0.366CS..EExtended strand (participates in β ladder)trans-131.5150.9173.762.30000112.3E121 A206E121-C231 CarbonylContact O-C 3.52Å; E121-C231 VanDerWaalsContact O-CA 3.28Å; E121-C231 WeakPolarHBondContact O-CA 3.42Å; A206-C231 PolarHBondContact N-O 3.31Å; A206-C231 PolarHBondContact O-N 2.93Å
232R89.7Confident75.4Confident71 Ų7173.1 Ų73.127%0.26837%0.369SS..EExtended strand (participates in β ladder)trans-137.6128170.9-178.4174.965.11706.1109E120 E121 A203 G204 F205 V234E120-R232 WeakPolarHBondContact CA-O 3.49Å; E121-R232 PolarHBondContact N-O 3.02Å; E121-R232 PolarHBondContact O-N 3.07Å; E121-R232 IonicContact OE2-CZ 2.64Å; E121-R232 IonicContact OE2-NE 2.67Å; E121-R232 IonicContact OE2-NH2 3.5Å; E121-R232 PolarHBondContact OE2-NH2 3.45Å; A203-R232 PolarHBondContact O-NH1 2.93Å; G204-R232 VanDerWaalsContact O-CD 3.29Å; G204-R232 WeakPolarHBondContact O-CD 3.33Å; G204-R232 WeakPolarHBondContact O-CG 3.5Å; F205-R232 HydrophobicContact CD1-CB 3.64Å; F205-R232 HydrophobicContact CD2-CB 4.5Å; F205-R232 HydrophobicContact CE1-CB 3.78Å; F205-R232 HydrophobicContact CG-CB 4Å; F205-R232 HydrophobicContact CZ-CB 4.27Å; R232-V234 HydrophobicContact CG-CG2 4.38Å
233P79.9Confident76Confident96 Ų9671.8 Ų71.862%0.62336%0.361SS*.EExtended strand (participates in β ladder)trans-72.1130.2171.229.8-32.1000109.6
234V76.6Confident76.2Confident21 Ų2175.1 Ų75.113%0.12738%0.377CS..EExtended strand (participates in β ladder)trans-124.8128.2179177.80000109.9T118 Y119 E121 R232T118-V234 CarbonylContact C-O 3.52Å; T118-V234 WeakPolarHBondContact CA-O 3.46Å; Y119-V234 HydrophobicContact CD1-CB 4.39Å; Y119-V234 HydrophobicContact CE1-CB 3.95Å; Y119-V234 HydrophobicContact CE1-CG1 3.74Å; Y119-V234 HydrophobicContact CE2-CB 4.48Å; Y119-V234 PolarHBondContact N-O 2.67Å; Y119-V234 PolarHBondContact O-N 3.32Å; E121-V234 HydrophobicContact CB-CG2 4.2Å; E121-V234 VanDerWaalsContact CD-CG2 3.49Å; E121-V234 HydrophobicContact CG-CB 4.39Å; E121-V234 HydrophobicContact CG-CG2 3.69Å; E121-V234 WeakPolarHBondContact OE2-CG2 3.3Å; R232-V234 HydrophobicContact CG-CG2 4.38Å
235Q71.8Confident75.9Confident137 Ų13778.1 Ų78.164%0.6439%0.39SS*.EExtended strand (participates in β ladder)trans-79.1133.9174.5-63.6-174.34.400110.3D117 T118 G237D117-Q235 CarbonylContact O-C 3.58Å; D117-Q235 WeakPolarHBondContact O-CA 3.42Å; T118-Q235 HydrophobicContact CG2-CG 3.76Å; Q235-G237 PolarHBondContact O-N 3.17Å
236K54.4Low75.3Confident159 Ų15980.4 Ų80.469%0.69140%0.402SS*.THydrogen-bonded Turntrans-74.190.9176.9-164.7179.4-177.6-176.70108D117D117-K236 HydrophobicContact CB-CB 3.87Å; D117-K236 VanDerWaalsContact O-CB 3.24Å; D117-K236 WeakPolarHBondContact O-CB 3.48Å; D117-K236 PolarHBondContact O-N 2.85Å
237G54.5Low74.5Confident64 Ų6483 Ų8366%0.6642%0.417SS*.THydrogen-bonded Turntrans172.8-16.9-17700000114.6Q235 Y239Q235-G237 PolarHBondContact O-N 3.17Å; G237-Y239 PolarHBondContact O-N 3.25Å
238D47.5Very low73.3Confident132 Ų13286.3 Ų86.371%0.70643%0.434SS*.  trans-9073.6176.5-65.7-31.4000111.3
239Y42Very low71.6Confident277 Ų27791 Ų91100%1.08646%0.462SS*.  trans-135.30160.4-80.7-73.9000110.4G237G237-Y239 PolarHBondContact O-N 3.25Å

Retrieved 239 of 239 residues in 522.7 ms (Link to these results)

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