A0A087XMB3_POEFO Loading...

Ankyrin repeat and zinc finger peptidyl tRNA hydrolase 1

AlphaFold DB , UniProt , Accession A0A087XMB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 734 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
1M31.3Very low62.2Low232 Ų23275.6 Ų75.6100%1.14341%0.409SS*.  0135.70-62.9178.4-174.900106.8T3M1-T3 PolarHBondContact O-N 2.94Å; M1-T3 VanDerWaalsContact O-N 3.09Å
2T42.4Very low63Low66 Ų6673.5 Ų73.541%0.40540%0.397SS..  trans-80.889.3-179.4380000111.1C4 D337 A340T2-C4 PolarHBondContact O-N 3.3Å; T2-C4 VanDerWaalsContact O-N 3.1Å; T2-D337 VanDerWaalsContact CG2-O 3.23Å; T2-D337 WeakPolarHBondContact CG2-O 3.33Å; T2-A340 HydrophobicContact CG2-CB 4.17Å
3T43.4Very low63.1Low104 Ų10469.8 Ų69.864%0.63838%0.377SS*.  trans-71.397.7170.946.60000109.5M1 T5M1-T3 PolarHBondContact O-N 2.94Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-T5 PolarHBondContact O-N 2.65Å
4C52.6Low62.3Low49 Ų4968.6 Ų68.633%0.33138%0.375SS..EExtended strand (participates in β ladder)trans-61.5119.2159.8-177.50000106.9T2 V331 Y332T2-C4 PolarHBondContact O-N 3.3Å; T2-C4 VanDerWaalsContact O-N 3.1Å; C4-V331 PolarHBondContact SG-O 2.76Å; C4-Y332 HydrophobicContact CB-CD1 4.27Å; C4-Y332 HydrophobicContact CB-CE1 3.87Å
5T56.1Low61.5Low76 Ų7669.4 Ų69.447%0.46639%0.388SS..EExtended strand (participates in β ladder)trans-84.6-41.4-169.543.20000111.7T3 V331T3-T5 PolarHBondContact O-N 2.65Å; T5-V331 PolarHBondContact N-O 3.24Å; T5-V331 VanDerWaalsContact N-O 3.09Å; T5-V331 PolarHBondContact OG1-O 3.15Å
6D68.6Low60.6Low86 Ų8670.6 Ų70.646%0.4639%0.393SS..EExtended strand (participates in β ladder)trans-140.2156.7-178.7-80.1-62.3000113V331D6-V331 HydrophobicContact CB-CB 3.97Å; D6-V331 HydrophobicContact CB-CG2 3.9Å; D6-V331 PolarHBondContact O-N 3.15Å
7L74.7Confident59.7Low112 Ų11276.2 Ų76.259%0.58642%0.415SS*.EExtended strand (participates in β ladder)trans-120111.9168.5-62.3177.1000108.8V329 Q330L7-V329 WeakPolarHBondContact CA-O 3.3Å; L7-Q330 HydrophobicContact CD2-CB 4.42Å; L7-Q330 HydrophobicContact CD2-CG 3.91Å
8R78.6Confident58.9Low86 Ų8676.7 Ų76.733%0.32541%0.414SS..EExtended strand (participates in β ladder)trans-104.1163.9174.5-61.5-171.4-174.5-175.75.9110.2L13 E18 V329 V331R8-L13 HydrophobicContact CB-CD2 4.34Å; R8-E18 IonicContact NH1-OE2 3.14Å; R8-E18 PolarHBondContact NH1-OE2 3.32Å; R8-V329 PolarHBondContact N-O 3.37Å; R8-V329 PolarHBondContact O-N 3.44Å; R8-V331 HydrophobicContact CG-CG2 4.18Å
9S79.1Confident58.2Low18 Ų1873.9 Ų73.913%0.12640%0.403CS..EExtended strand (participates in β ladder)trans-96.9138.8172.3-162.70000111.3F11 D12 L13 K208 S327S9-F11 PolarHBondContact O-N 3.18Å; S9-D12 VanDerWaalsContact CB-OD2 3.26Å; S9-D12 WeakPolarHBondContact CB-OD2 3.48Å; S9-D12 PolarHBondContact O-N 2.93Å; S9-D12 VanDerWaalsContact O-N 3.09Å; S9-L13 PolarHBondContact O-N 3.4Å; S9-K208 WeakPolarHBondContact OG-CE 3.37Å; S9-S327 CarbonylContact C-O 3.5Å; S9-S327 WeakPolarHBondContact CA-O 3.26Å
10I79.6Confident57.6Low1 Ų177.5 Ų77.51%0.00542%0.415CS..THydrogen-bonded Turntrans-58-33.2-179.5-161.3172.9000112.5D12 L13 I161 A165 L166 L181 V184 W190 S327 V329I10-D12 VanDerWaalsContact C-N 3.3Å; I10-D12 PolarHBondContact O-N 3.13Å; I10-L13 PolarHBondContact O-N 3.29Å; I10-I161 HydrophobicContact CD1-CG2 3.78Å; I10-A165 HydrophobicContact CD1-CB 4.14Å; I10-L166 HydrophobicContact CD1-CD2 4.01Å; I10-L181 HydrophobicContact CD1-CD1 4.14Å; I10-L181 HydrophobicContact CG1-CD1 3.86Å; I10-V184 HydrophobicContact CG1-CG1 4.19Å; I10-V184 HydrophobicContact CG2-CG1 4.13Å; I10-W190 HydrophobicContact CG2-CH2 4.02Å; I10-S327 PolarHBondContact N-O 3.03Å; I10-V329 HydrophobicContact CB-CG2 3.87Å; I10-V329 HydrophobicContact CG1-CG2 4.27Å
11F78.1Confident57.4Low2 Ų281.3 Ų81.31%0.00943%0.428CS..THydrogen-bonded Turntrans-73.3-18.9-179.5-52.6-66.8000113.9S9 V184 N185 Q186 T188 W190 G207 K208 H323 S327S9-F11 PolarHBondContact O-N 3.18Å; F11-V184 HydrophobicContact CD1-CG1 3.59Å; F11-V184 HydrophobicContact CE1-CG1 3.89Å; F11-N185 WeakPolarHBondContact CD1-O 3.45Å; F11-Q186 HydrophobicContact CB-CG 4.18Å; F11-T188 WeakPolarHBondContact CE1-OG1 3.31Å; F11-W190 HydrophobicContact CE1-CD2 4.33Å; F11-W190 HydrophobicContact CE1-CH2 4.34Å; F11-W190 HydrophobicContact CE1-CZ2 4.1Å; F11-W190 HydrophobicContact CZ-CD2 4.02Å; F11-W190 AromaticContact CZ-CE3 3.83Å; F11-W190 HydrophobicContact CZ-CE3 3.83Å; F11-W190 HydrophobicContact CZ-CH2 4.01Å; F11-W190 HydrophobicContact CZ-CZ2 4.18Å; F11-W190 AromaticContact CZ-CZ3 3.83Å; F11-W190 HydrophobicContact CZ-CZ3 3.83Å; F11-G207 WeakPolarHBondContact CE2-O 3.39Å; F11-G207 WeakPolarHBondContact CZ-O 3.34Å; F11-K208 HydrophobicContact CD2-CG 4.21Å; F11-H323 AromaticContact CE2-CE1 3.74Å; F11-H323 AromaticContact CE2-NE2 3.79Å; F11-H323 AromaticContact CZ-NE2 3.73Å; F11-S327 VanDerWaalsContact CE2-CB 3.47Å
12D71.8Confident58.8Low50 Ų5071.6 Ų71.627%0.26738%0.38SS..THydrogen-bonded Turntrans-96.9-14.3179.2-46.8-40.5000112.2S9 I10 C14 S15 Q186 K208S9-D12 VanDerWaalsContact CB-OD2 3.26Å; S9-D12 WeakPolarHBondContact CB-OD2 3.48Å; S9-D12 PolarHBondContact O-N 2.93Å; S9-D12 VanDerWaalsContact O-N 3.09Å; I10-D12 VanDerWaalsContact C-N 3.3Å; I10-D12 PolarHBondContact O-N 3.13Å; D12-C14 PolarHBondContact O-N 2.81Å; D12-S15 WeakPolarHBondContact O-CB 3.41Å; D12-S15 PolarHBondContact O-N 3.04Å; D12-S15 VanDerWaalsContact O-N 3.09Å; D12-Q186 PolarHBondContact OD1-NE2 3.05Å; D12-Q186 VanDerWaalsContact OD1-NE2 3.1Å; D12-K208 IonicContact OD1-NZ 2.62Å; D12-K208 PolarHBondContact OD1-NZ 3.38Å; D12-K208 WeakPolarHBondContact OD2-CE 3.45Å; D12-K208 IonicContact OD2-NZ 3.05Å; D12-K208 PolarHBondContact OD2-NZ 3.38Å
13L64.3Low59.6Low26 Ų2677.4 Ų77.414%0.13640%0.395CS..G310 helixtrans-59.7-31.7-177.6-72.3-173.1000113.1R8 S9 I10 S15 I161 L181 V329R8-L13 HydrophobicContact CB-CD2 4.34Å; S9-L13 PolarHBondContact O-N 3.4Å; I10-L13 PolarHBondContact O-N 3.29Å; L13-S15 VanDerWaalsContact C-N 3.32Å; L13-I161 HydrophobicContact CD1-CD1 4.14Å; L13-L181 HydrophobicContact CD1-CD1 4.29Å; L13-V329 HydrophobicContact CD1-CG1 4.29Å; L13-V329 HydrophobicContact CD1-CG2 3.82Å; L13-V329 HydrophobicContact CG-CG2 4.34Å
14C52Low60.6Low52 Ų5275.3 Ų75.335%0.35138%0.378SS..G310 helixtrans-82.4-5.5-179.3-64.50000113.8D12 V184D12-C14 PolarHBondContact O-N 2.81Å; C14-V184 PolarHBondContact SG-O 2.81Å
15S49.8Very low61Low81 Ų8173.6 Ų73.657%0.56637%0.366SS*.G310 helixtrans-85.3-16.2177.7-61.80000113.6D12 L13D12-S15 WeakPolarHBondContact O-CB 3.41Å; D12-S15 PolarHBondContact O-N 3.04Å; D12-S15 VanDerWaalsContact O-N 3.09Å; L13-S15 VanDerWaalsContact C-N 3.32Å
16N47.6Very low61Low88 Ų8872.4 Ų72.447%0.47136%0.356SS..SBendtrans-107134.5177.9-68.26.2000110.3E18 A19N16-E18 HydrophobicContact CB-CG 4.36Å; N16-E18 PolarHBondContact O-N 3.37Å; N16-A19 PolarHBondContact O-N 3.14Å
17E44.3Very low59.8Low166 Ų16672.6 Ų72.678%0.77637%0.365SS*.G310 helixtrans-69.49.8178.9-60.9-159.8127.700114.7A19 F20E17-A19 PolarHBondContact O-N 3.25Å; E17-F20 HydrophobicContact CB-CD2 4.26Å; E17-F20 HydrophobicContact CB-CE2 4.01Å; E17-F20 HydrophobicContact CG-CE2 4.21Å; E17-F20 VanDerWaalsContact O-CD2 3.29Å; E17-F20 WeakPolarHBondContact O-CD2 3.22Å
18E45.9Very low58Low85 Ų8570.5 Ų70.540%0.39736%0.363SS..G310 helixtrans-67.4-21.6171.4-55.6-173.2123.900112.2R8 N16 F20 N153R8-E18 IonicContact NH1-OE2 3.14Å; R8-E18 PolarHBondContact NH1-OE2 3.32Å; N16-E18 HydrophobicContact CB-CG 4.36Å; N16-E18 PolarHBondContact O-N 3.37Å; E18-F20 PolarHBondContact O-N 3.36Å; E18-F20 VanDerWaalsContact O-N 3.1Å; E18-N153 PolarHBondContact O-OD1 2.98Å
19A46.5Very low56.1Low25 Ų2571.7 Ų71.721%0.20738%0.376CS..G310 helixtrans-68.5-7.2-171.600000115.9N16 E17 K21N16-A19 PolarHBondContact O-N 3.14Å; E17-A19 PolarHBondContact O-N 3.25Å; A19-K21 VanDerWaalsContact C-N 3.29Å; A19-K21 PolarHBondContact O-N 3.31Å
20F45.9Very low54Low145 Ų14579.6 Ų79.664%0.63641%0.408SS*.G310 helixtrans-72.7-9.1-171.5-75.9-68.5000116E17 E18E17-F20 HydrophobicContact CB-CD2 4.26Å; E17-F20 HydrophobicContact CB-CE2 4.01Å; E17-F20 HydrophobicContact CG-CE2 4.21Å; E17-F20 VanDerWaalsContact O-CD2 3.29Å; E17-F20 WeakPolarHBondContact O-CD2 3.22Å; E18-F20 PolarHBondContact O-N 3.36Å; E18-F20 VanDerWaalsContact O-N 3.1Å
21K53.4Low51.8Low158 Ų15888 Ų8869%0.68745%0.447SS*.G310 helixtrans-137.441.5-177.2-65.6-178.3-177.8173.50114.1A19 R23A19-K21 VanDerWaalsContact C-N 3.29Å; A19-K21 PolarHBondContact O-N 3.31Å; K21-R23 PolarHBondContact O-N 2.9Å
22L60.1Low49.4Very low27 Ų2793.7 Ų93.714%0.14148%0.482CS..  trans-73.4120.4171-67.2174.1000111.2F151 Q152 N153 L159 V178 L181L22-F151 HydrophobicContact CD2-CB 4.2Å; L22-Q152 WeakPolarHBondContact CA-O 3.49Å; L22-N153 HydrophobicContact CD2-CB 4.4Å; L22-L159 HydrophobicContact CD2-CD1 3.82Å; L22-V178 HydrophobicContact CB-CG2 4.48Å; L22-L181 HydrophobicContact CD1-CD2 3.61Å
23R59.5Low47.2Very low189 Ų18994.9 Ų94.971%0.71351%0.507SS*.EExtended strand (participates in β ladder)trans-107134.6171.1-178.5-177.6-73.3-166.9-2.7109.9K21 F151 Q152K21-R23 PolarHBondContact O-N 2.9Å; R23-F151 CarbonylContact O-C 3.51Å; R23-F151 VanDerWaalsContact O-CA 3.31Å; R23-F151 WeakPolarHBondContact O-CA 3.32Å; R23-Q152 PolarHBondContact N-O 3.35Å; R23-Q152 VanDerWaalsContact N-O 3.12Å; R23-Q152 PolarHBondContact O-N 3.39Å
24E64.6Low45.4Very low60 Ų6099.9 Ų99.928%0.2854%0.544SS..EExtended strand (participates in β ladder)trans-74130.4169.3-178.2166.2-177.100110.6N26 V149 F151 I177E24-N26 HydrophobicContact CG-CB 4.02Å; E24-N26 PolarHBondContact OE1-ND2 2.96Å; E24-V149 HydrophobicContact CG-CG1 4.32Å; E24-F151 HydrophobicContact CB-CD1 4.38Å; E24-I177 WeakPolarHBondContact OE2-CD1 3.26Å
25V61Low44.2Very low13 Ų13102.5 Ų102.58%0.07956%0.562CS.*  trans-96.2-16.8-173.5-171.60000112.2S27 A28 L29 V150 Q152 Y158V25-S27 PolarHBondContact O-N 3.33Å; V25-A28 PolarHBondContact O-N 3.38Å; V25-L29 HydrophobicContact CG1-CD1 4.07Å; V25-L29 HydrophobicContact CG1-CG 4.44Å; V25-V150 HydrophobicContact CB-CG1 4.48Å; V25-V150 HydrophobicContact CG2-CG1 4.47Å; V25-V150 PolarHBondContact N-O 2.92Å; V25-V150 VanDerWaalsContact N-O 3.08Å; V25-Q152 HydrophobicContact CG2-CB 3.64Å; V25-Y158 HydrophobicContact CG1-CE1 4.3Å; V25-Y158 HydrophobicContact CG2-CD1 4.15Å; V25-Y158 HydrophobicContact CG2-CE1 4.06Å
26N56.4Low43.1Very low50 Ų50105.4 Ų105.427%0.26758%0.577SS.*THydrogen-bonded Turntrans-54.9-29.2-172.2-71.8-25.9000114.5E24 F342E24-N26 HydrophobicContact CG-CB 4.02Å; E24-N26 PolarHBondContact OE1-ND2 2.96Å; N26-F342 WeakPolarHBondContact OD1-CE1 3.47Å
27S42.4Very low42.1Very low91 Ų91108.8 Ų108.864%0.63660%0.595SS**THydrogen-bonded Turntrans-83.9-29.9179.7-480000113.5V25V25-S27 PolarHBondContact O-N 3.33Å
28A37.1Very low41.1Very low67 Ų67106.8 Ų106.855%0.55460%0.598SS**G310 helixtrans-80.9-23.4-165.200000114.8V25 K30V25-A28 PolarHBondContact O-N 3.38Å; A28-K30 VanDerWaalsContact C-N 3.29Å; A28-K30 PolarHBondContact O-N 3.49Å
29L39.4Very low40.2Very low111 Ų111108.6 Ų108.658%0.58162%0.615SS**G310 helixtrans-86.411.6-175.1-76.4168000114.7V25V25-L29 HydrophobicContact CG1-CD1 4.07Å; V25-L29 HydrophobicContact CG1-CG 4.44Å
30K35Very low39.2Very low184 Ų184117.4 Ų117.480%0.865%0.648SS**G310 helixtrans-92-18.7173.3-77.6-177.1178.8174.10114.2A28A28-K30 VanDerWaalsContact C-N 3.29Å; A28-K30 PolarHBondContact O-N 3.49Å
31E31.8Very low38.6Very low178 Ų178117.7 Ų117.783%0.83266%0.655SS**SBendtrans-123.247.6-165.3-62.6-169.2164.800113.5
32T27.6Very low37.1Very low121 Ų121121.8 Ų121.874%0.74267%0.666SS**  trans-132.189.616854.40000110.6
33G26.1Very low35.6Very low76 Ų76123.9 Ų123.978%0.78469%0.694SS**SBendtrans-163.379.2-17600000114.5
34S27.1Very low34.8Very low131 Ų131120.4 Ų120.492%0.91670%0.696SS**  trans71129.7172.7-157.60000117.7
35S26.6Very low33.2Very low106 Ų106124.7 Ų124.774%0.74172%0.721SS**  trans-119.3147.1-179.5540000111.7
36T26.4Very low31.7Very low142 Ų142131.2 Ų131.287%0.87176%0.755SS**  trans-161152146.421.40000110.6
37D26.1Very low30.9Very low160 Ų160134 Ų13486%0.85677%0.77SS**  trans-75.1154.4-164.8-47.6-88.6000116.4
38C23.3Very low30.2Very low124 Ų124140.4 Ų140.484%0.83878%0.781SS**  -168.8142.6112.4-166.40000111.6
39V28.1Very low29.9Very low123 Ų123145 Ų14575%0.74579%0.788SS**  trans-93134-179.9175.20000111.8
40K24.6Very low29.5Very low209 Ų209150.9 Ų150.991%0.90980%0.802SS**  trans-153138.7154.9-111164.4-172.3173.20111.4
41I33.6Very low29.5Very low152 Ų152149.5 Ų149.578%0.77980%0.804SS**  trans-105.2135.7-178.1-61.2167.1000109.3
42R23.3Very low29.7Very low244 Ų244146.7 Ų146.792%0.92180%0.799SS**  trans-178.7141.2149.8-106.2163.2-167.9-141.81.3113
43G26.9Very low30.4Very low71 Ų71144.7 Ų144.773%0.73279%0.79SS**  trans80.6127.2146.300000118.3
44P42.5Very low31.7Very low115 Ų115148.2 Ų148.275%0.74779%0.79SS**  trans-79.5179.8149.837.6-33.4000110.8
45D32.8Very low33.2Very low150 Ų150149.9 Ų149.980%0.80278%0.781SS**  trans6798.3169.5-49.8-31.4000117.1
46D28.6Very low35.5Very low150 Ų150147.1 Ų147.180%0.80276%0.758SS**  trans-161.6148.8130.5-118.3-29.6000112.8
47D40.6Very low38.1Very low110 Ų110142.7 Ų142.759%0.58874%0.735SS**  trans-77.9120-176.9175.127.5000112.2K49D47-K49 PolarHBondContact OD1-N 3.44Å; D47-K49 VanDerWaalsContact OD2-CE 3.31Å; D47-K49 WeakPolarHBondContact OD2-CE 3.15Å; D47-K49 IonicContact OD2-NZ 2.66Å
48W27.2Very low40.8Very low225 Ų225135.1 Ų135.185%0.85270%0.695SS**  trans-120.977173.4-73.393.6000112.3R50W48-R50 PolarHBondContact O-N 2.87Å
49K31.1Very low43.5Very low162 Ų162133.9 Ų133.970%0.70469%0.688SS**  trans-45.2126.6156.8-69.4169.8-172.8158.50109.8D47 D51D47-K49 PolarHBondContact OD1-N 3.44Å; D47-K49 VanDerWaalsContact OD2-CE 3.31Å; D47-K49 WeakPolarHBondContact OD2-CE 3.15Å; D47-K49 IonicContact OD2-NZ 2.66Å; K49-D51 PolarHBondContact O-N 2.9Å
50R31Very low45.8Very low236 Ų236128.3 Ų128.389%0.89165%0.654SS**  trans-77.593.4178.9-171.6175.8-171.4150.73109.5W48 V52W48-R50 PolarHBondContact O-N 2.87Å; R50-V52 PolarHBondContact O-N 2.7Å
51D34.3Very low48.4Very low155 Ų155119 Ų11983%0.82962%0.615SS**  trans-49.8110.1-179.4-117.7-3.9000111.7K49 S53K49-D51 PolarHBondContact O-N 2.9Å; D51-S53 PolarHBondContact O-N 2.86Å
52V35Very low50.6Low119 Ų119120 Ų12072%0.72161%0.614SS**  trans-85.3100.2168178.20000105.9R50 D54R50-V52 PolarHBondContact O-N 2.7Å; V52-D54 PolarHBondContact O-N 3.5Å; V52-D54 VanDerWaalsContact O-N 3.1Å
53S42.5Very low53.2Low79 Ų79109.9 Ų109.955%0.55258%0.581SS**  trans-68.6111.4-179.2-161.50000110.1D51 K55D51-S53 PolarHBondContact O-N 2.86Å; S53-K55 PolarHBondContact O-N 3.48Å
54D53.7Low55.7Low149 Ų149110.9 Ų110.980%0.79758%0.576SS**  trans-64.617.8177.8-77.1-40.8000114.8V52 L56V52-D54 PolarHBondContact O-N 3.5Å; V52-D54 VanDerWaalsContact O-N 3.1Å; D54-L56 PolarHBondContact O-N 2.9Å
55K58.4Low57.5Low166 Ų166106.7 Ų106.772%0.72255%0.546SS*.  trans-76.1106.1175.9-66.6178.6-178.1179.30109S53 A57S53-K55 PolarHBondContact O-N 3.48Å; K55-A57 PolarHBondContact O-N 3.48Å
56L76.4Confident59.5Low49 Ų49106.3 Ų106.326%0.25754%0.544SS..  trans-62.299.9174-64.397.1000109D54 S64 F65 R68 Q71D54-L56 PolarHBondContact O-N 2.9Å; L56-S64 CarbonylContact O-C 3.59Å; L56-S64 WeakPolarHBondContact O-CA 3.47Å; L56-F65 HydrophobicContact CB-CB 4.23Å; L56-F65 HydrophobicContact CB-CD2 4.41Å; L56-F65 WeakPolarHBondContact O-CD2 3.38Å; L56-F65 PolarHBondContact O-N 3.04Å; L56-R68 HydrophobicContact CD2-CB 3.79Å; L56-R68 HydrophobicContact CD2-CG 4.04Å; L56-Q71 HydrophobicContact CD2-CB 4.37Å
57A81.1Confident61.9Low48 Ų48103.4 Ų103.440%0.39753%0.529SS..BIsolated β-bridgetrans-146.7146.7-175.700000112.4K55 C63K55-A57 PolarHBondContact O-N 3.48Å; A57-C63 CarbonylContact C-O 3.51Å; A57-C63 VanDerWaalsContact CA-O 3.3Å; A57-C63 WeakPolarHBondContact CA-O 3.45Å
58C82.8Confident63.4Low2 Ų2106.1 Ų106.11%0.01453%0.531CS..  trans-94.7110.8178.1-173.60000111.4A60 C61 K62 C63 F65 H74 H80C58-A60 PolarHBondContact O-N 2.8Å; C58-A60 VanDerWaalsContact O-N 3.1Å; C58-C61 HydrophobicContact CB-CB 4.28Å; C58-C61 PolarHBondContact O-N 3.13Å; C58-K62 WeakPolarHBondContact O-CA 3.5Å; C58-K62 PolarHBondContact O-N 2.86Å; C58-C63 PolarHBondContact N-O 2.78Å; C58-F65 HydrophobicContact CB-CE2 3.93Å; C58-F65 HydrophobicContact CB-CZ 3.93Å; C58-H74 PolarHBondContact SG-NE2 3.03Å; C58-H74 VanDerWaalsContact SG-NE2 3.37Å; C58-H80 PolarHBondContact SG-CE1 3.2Å; C58-H80 PolarHBondContact SG-ND1 2.81Å; C58-H80 VanDerWaalsContact SG-ND1 3.41Å
59S79.6Confident65.7Low97 Ų97101.3 Ų101.368%0.67852%0.518SS*.THydrogen-bonded Turntrans-66.7-10.9176.978.60000114.5K87S59-K87 PolarHBondContact O-NZ 3.07Å; S59-K87 PolarHBondContact OG-NZ 3.31Å
60A76.1Confident67.9Low6 Ų697.6 Ų97.65%0.0550%0.503CS..THydrogen-bonded Turntrans-88.1-45.6174.900000112.2C58 L84 K87C58-A60 PolarHBondContact O-N 2.8Å; C58-A60 VanDerWaalsContact O-N 3.1Å; A60-L84 HydrophobicContact CB-CD1 4.4Å; A60-K87 HydrophobicContact CB-CD 4.23Å
61C79Confident70.1Confident13 Ų1388.4 Ų88.49%0.08847%0.47CS..THydrogen-bonded Turntrans-98.6-7.8-175.1-58.30000114.1C58 C63 H74 W79C58-C61 HydrophobicContact CB-CB 4.28Å; C58-C61 PolarHBondContact O-N 3.13Å; C61-C63 PolarHBondContact O-N 3.12Å; C61-H74 PolarHBondContact SG-CE1 3.05Å; C61-H74 PolarHBondContact SG-NE2 2.91Å; C61-W79 HydrophobicContact CB-CH2 3.86Å; C61-W79 HydrophobicContact CB-CZ2 4.04Å; C61-W79 HydrophobicContact CB-CZ3 4.32Å
62K78.9Confident72.3Confident174 Ų17488.4 Ų88.476%0.75746%0.459SS*.  trans60.514.9-178.6-58.2-175.5178.2-178.30115.9C58 P93C58-K62 WeakPolarHBondContact O-CA 3.5Å; C58-K62 PolarHBondContact O-N 2.86Å; K62-P93 HydrophobicContact CD-CG 4.41Å
63C78.1Confident74.4Confident32 Ų3288.6 Ų88.622%0.21645%0.452CS..  trans-87.2145.1170.7540000112A57 C58 C61 F65 H74 W79A57-C63 CarbonylContact C-O 3.51Å; A57-C63 VanDerWaalsContact CA-O 3.3Å; A57-C63 WeakPolarHBondContact CA-O 3.45Å; C58-C63 PolarHBondContact N-O 2.78Å; C61-C63 PolarHBondContact O-N 3.12Å; C63-F65 WeakPolarHBondContact SG-CZ 3.43Å; C63-H74 PolarHBondContact SG-CE1 3.49Å; C63-W79 HydrophobicContact CB-CH2 4.47Å
64S79.4Confident76.3Confident92 Ų9285.2 Ų85.264%0.64343%0.427SS*.BIsolated β-bridgetrans-87.8163.815947.80000110.6L56L56-S64 CarbonylContact O-C 3.59Å; L56-S64 WeakPolarHBondContact O-CA 3.47Å
65F81.5Confident77.7Confident26 Ų2683.3 Ų83.311%0.11441%0.409CS..  trans-131.3148.7172.6-46.3-75.4000107.7L56 C58 C63 E70 Q71 H74L56-F65 HydrophobicContact CB-CB 4.23Å; L56-F65 HydrophobicContact CB-CD2 4.41Å; L56-F65 WeakPolarHBondContact O-CD2 3.38Å; L56-F65 PolarHBondContact O-N 3.04Å; C58-F65 HydrophobicContact CB-CE2 3.93Å; C58-F65 HydrophobicContact CB-CZ 3.93Å; C63-F65 WeakPolarHBondContact SG-CZ 3.43Å; F65-E70 HydrophobicContact CB-CB 4.2Å; F65-E70 HydrophobicContact CD1-CB 4.21Å; F65-Q71 HydrophobicContact CB-CB 4.34Å; F65-Q71 HydrophobicContact CD2-CB 3.66Å; F65-Q71 HydrophobicContact CD2-CG 3.82Å; F65-Q71 HydrophobicContact CE2-CB 4.18Å; F65-Q71 HydrophobicContact CE2-CG 3.97Å; F65-Q71 HydrophobicContact CG-CB 4Å; F65-H74 HydrophobicContact CD1-CB 4.46Å; F65-H74 HydrophobicContact CE1-CB 3.49Å; F65-H74 VanDerWaalsContact CE1-CB 3.49Å; F65-H74 AromaticContact CE1-CG 3.56Å; F65-H74 AromaticContact CE1-ND1 3.75Å; F65-H74 HydrophobicContact CZ-CB 3.57Å; F65-H74 AromaticContact CZ-CD2 3.57Å; F65-H74 AromaticContact CZ-CG 3.32Å; F65-H74 AromaticContact CZ-ND1 3.71Å
66D74.9Confident78.7Confident142 Ų14283.2 Ų83.276%0.75941%0.409SS*.SBendtrans-91.1-33.4175.8-63.8-42.9000109.8E70D66-E70 PolarHBondContact N-OE2 3.42Å
67N78.8Confident78.9Confident90 Ų9085.2 Ų85.248%0.48142%0.42SS..SBendtrans-111.3154.5178.4-81.115.4000114.6E70 Q71N67-E70 HydrophobicContact CB-CG 3.97Å; N67-E70 PolarHBondContact N-OE2 3.17Å; N67-Q71 PolarHBondContact O-N 2.97Å
68R72.1Confident78.8Confident166 Ų16685.9 Ų85.963%0.62642%0.417SS*.Hα-helixtrans-75.4-23.4177.7-163.7177.9-179.1-166.13.3113.2L56 R72L56-R68 HydrophobicContact CD2-CB 3.79Å; L56-R68 HydrophobicContact CD2-CG 4.04Å; R68-R72 WeakPolarHBondContact O-CG 3.45Å; R68-R72 PolarHBondContact O-N 3.41Å
69E75.7Confident78.9Confident125 Ų12587.6 Ų87.658%0.58442%0.423SS*.Hα-helixtrans-67.7-51.2169.9-74.392-145.500111.4Q71 R72 E73E69-Q71 PolarHBondContact O-N 3.45Å; E69-R72 WeakPolarHBondContact O-CA 3.43Å; E69-R72 WeakPolarHBondContact O-CB 3.3Å; E69-R72 PolarHBondContact O-N 3.4Å; E69-E73 PolarHBondContact O-N 2.97Å
70E76.6Confident79Confident84 Ų8483.6 Ų83.639%0.39339%0.393SS..Hα-helixtrans-51.6-42.3176.8-60.3172.9153.400111.9F65 D66 N67 R72 E73 H74F65-E70 HydrophobicContact CB-CB 4.2Å; F65-E70 HydrophobicContact CD1-CB 4.21Å; D66-E70 PolarHBondContact N-OE2 3.42Å; N67-E70 HydrophobicContact CB-CG 3.97Å; N67-E70 PolarHBondContact N-OE2 3.17Å; E70-R72 PolarHBondContact O-N 2.93Å; E70-E73 PolarHBondContact O-N 3.43Å; E70-H74 WeakPolarHBondContact O-CB 3.42Å; E70-H74 PolarHBondContact O-N 3.09Å
71Q77.6Confident79.5Confident42 Ų4287.9 Ų87.920%0.19641%0.408CS..Hα-helixtrans-60.5-42175-178.2-179.68100112.1L56 F65 N67 E69 Y75L56-Q71 HydrophobicContact CD2-CB 4.37Å; F65-Q71 HydrophobicContact CB-CB 4.34Å; F65-Q71 HydrophobicContact CD2-CB 3.66Å; F65-Q71 HydrophobicContact CD2-CG 3.82Å; F65-Q71 HydrophobicContact CE2-CB 4.18Å; F65-Q71 HydrophobicContact CE2-CG 3.97Å; F65-Q71 HydrophobicContact CG-CB 4Å; N67-Q71 PolarHBondContact O-N 2.97Å; E69-Q71 PolarHBondContact O-N 3.45Å; Q71-Y75 HydrophobicContact CG-CD2 4.18Å; Q71-Y75 HydrophobicContact CG-CE2 3.7Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.45Å; Q71-Y75 PolarHBondContact O-N 3.35Å
72R79.6Confident79.5Confident155 Ų15589.1 Ų89.159%0.58541%0.412SS*.Hα-helixtrans-68.4-41.7177-68177.7-168.5-13312.9111.6R68 E69 E70 Y75 K76R68-R72 WeakPolarHBondContact O-CG 3.45Å; R68-R72 PolarHBondContact O-N 3.41Å; E69-R72 WeakPolarHBondContact O-CA 3.43Å; E69-R72 WeakPolarHBondContact O-CB 3.3Å; E69-R72 PolarHBondContact O-N 3.4Å; E70-R72 PolarHBondContact O-N 2.93Å; R72-Y75 PolarHBondContact O-N 3.1Å; R72-K76 PolarHBondContact O-N 3.44Å
73E79.6Confident79.7Confident123 Ų12380.8 Ų80.858%0.57538%0.376SS*.Hα-helixtrans-63.5-43.8177.4-68.1-175.5163.200111.3E69 E70 Y75 K76 L77E69-E73 PolarHBondContact O-N 2.97Å; E70-E73 PolarHBondContact O-N 3.43Å; E73-Y75 VanDerWaalsContact C-N 3.27Å; E73-Y75 PolarHBondContact O-N 2.91Å; E73-K76 WeakPolarHBondContact O-CA 3.48Å; E73-K76 WeakPolarHBondContact O-CB 3.26Å; E73-K76 PolarHBondContact O-N 3.47Å; E73-L77 PolarHBondContact O-N 3.09Å; E73-L77 VanDerWaalsContact O-N 3.15Å
74H82.8Confident79.9Confident8 Ų882.6 Ų82.64%0.03738%0.383CS..Hα-helixtrans-53.6-42.7173.517688.3000112.6C58 C61 C63 F65 E70 K76 L77 W79 H80C58-H74 PolarHBondContact SG-NE2 3.03Å; C58-H74 VanDerWaalsContact SG-NE2 3.37Å; C61-H74 PolarHBondContact SG-CE1 3.05Å; C61-H74 PolarHBondContact SG-NE2 2.91Å; C63-H74 PolarHBondContact SG-CE1 3.49Å; F65-H74 HydrophobicContact CD1-CB 4.46Å; F65-H74 HydrophobicContact CE1-CB 3.49Å; F65-H74 VanDerWaalsContact CE1-CB 3.49Å; F65-H74 AromaticContact CE1-CG 3.56Å; F65-H74 AromaticContact CE1-ND1 3.75Å; F65-H74 HydrophobicContact CZ-CB 3.57Å; F65-H74 AromaticContact CZ-CD2 3.57Å; F65-H74 AromaticContact CZ-CG 3.32Å; F65-H74 AromaticContact CZ-ND1 3.71Å; E70-H74 WeakPolarHBondContact O-CB 3.42Å; E70-H74 PolarHBondContact O-N 3.09Å; H74-K76 PolarHBondContact O-N 3.39Å; H74-L77 PolarHBondContact O-N 3.43Å; H74-W79 AromaticContact CE1-CE3 3.66Å; H74-W79 AromaticContact CE1-CZ3 3.34Å; H74-W79 WeakPolarHBondContact CE1-CZ3 3.29Å; H74-W79 AromaticContact ND1-CE3 3.84Å; H74-W79 AromaticContact ND1-CZ3 3.56Å; H74-H80 AromaticContact CD2-CG 3.92Å; H74-H80 AromaticContact CD2-ND1 3.39Å; H74-H80 PolarHBondContact CD2-ND1 3.09Å; H74-H80 AromaticContact NE2-CG 3.69Å; H74-H80 AromaticContact NE2-ND1 2.98Å; H74-H80 PolarHBondContact NE2-ND1 3.43Å; H74-H80 WeakPolarHBondContact O-CB 3.46Å
75Y81.7Confident79.9Confident109 Ų10985.7 Ų85.743%0.42738%0.381SS..Hα-helixtrans-67.5-18.8176.5-74.3-61.8000113.8Q71 R72 E73 H80Q71-Y75 HydrophobicContact CG-CD2 4.18Å; Q71-Y75 HydrophobicContact CG-CE2 3.7Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.45Å; Q71-Y75 PolarHBondContact O-N 3.35Å; R72-Y75 PolarHBondContact O-N 3.1Å; E73-Y75 VanDerWaalsContact C-N 3.27Å; E73-Y75 PolarHBondContact O-N 2.91Å; Y75-H80 AromaticContact CD1-CD2 3.96Å; Y75-H80 AromaticContact CD1-CE1 3.46Å; Y75-H80 VanDerWaalsContact CD1-CE1 3.46Å; Y75-H80 WeakPolarHBondContact CD1-CE1 3.44Å; Y75-H80 AromaticContact CD1-ND1 3.9Å; Y75-H80 AromaticContact CD1-NE2 3.5Å; Y75-H80 AromaticContact CE1-CE1 3.42Å; Y75-H80 VanDerWaalsContact CE1-CE1 3.42Å; Y75-H80 WeakPolarHBondContact CE1-CE1 3.44Å; Y75-H80 AromaticContact CE1-NE2 3.8Å
76K80.8Confident79.9Confident164 Ų16486 Ų8671%0.71338%0.383SS*.Hα-helixtrans-81.5-29.5170.8-63.1-178.9178.4-176.90112.8R72 E73 H74R72-K76 PolarHBondContact O-N 3.44Å; E73-K76 WeakPolarHBondContact O-CA 3.48Å; E73-K76 WeakPolarHBondContact O-CB 3.26Å; E73-K76 PolarHBondContact O-N 3.47Å; H74-K76 PolarHBondContact O-N 3.39Å
77L81Confident80.2Confident92 Ų9284.2 Ų84.248%0.48237%0.368SS..SBendtrans-62.4140.2-174-66.3178.4000113.9E73 H74 W79 H80 R81E73-L77 PolarHBondContact O-N 3.09Å; E73-L77 VanDerWaalsContact O-N 3.15Å; H74-L77 PolarHBondContact O-N 3.43Å; L77-W79 PolarHBondContact O-N 2.62Å; L77-H80 WeakPolarHBondContact O-CB 3.38Å; L77-H80 PolarHBondContact O-N 3.1Å; L77-R81 PolarHBondContact O-N 3.02Å; L77-R81 VanDerWaalsContact O-N 3.13Å
78D79.1Confident80Confident62 Ų6287.4 Ų87.433%0.33238%0.382SS..Hα-helixtrans-63.2-26.3174.1-83.1-23000113.4H80 R81 F82 F99 I111D78-H80 PolarHBondContact O-N 3.21Å; D78-R81 PolarHBondContact O-N 2.87Å; D78-R81 WeakPolarHBondContact OD1-CD 3.47Å; D78-R81 IonicContact OD1-CZ 3.5Å; D78-R81 IonicContact OD1-NE 3.19Å; D78-R81 IonicContact OD1-NH1 3.11Å; D78-R81 PolarHBondContact OD1-NH1 3.07Å; D78-F82 VanDerWaalsContact O-CB 3.23Å; D78-F82 WeakPolarHBondContact O-CB 3.19Å; D78-F82 PolarHBondContact O-N 2.72Å; D78-F99 HydrophobicContact CB-CZ 4.28Å; D78-I111 HydrophobicContact CB-CD1 4.17Å
79W83.6Confident80.3Confident38 Ų3883 Ų8314%0.14438%0.381CS..Hα-helixtrans-59.2-43.8169.9175.553.8000112C61 C63 H74 L77 F82 N83 I94 T95 A96 F99C61-W79 HydrophobicContact CB-CH2 3.86Å; C61-W79 HydrophobicContact CB-CZ2 4.04Å; C61-W79 HydrophobicContact CB-CZ3 4.32Å; C63-W79 HydrophobicContact CB-CH2 4.47Å; H74-W79 AromaticContact CE1-CE3 3.66Å; H74-W79 AromaticContact CE1-CZ3 3.34Å; H74-W79 WeakPolarHBondContact CE1-CZ3 3.29Å; H74-W79 AromaticContact ND1-CE3 3.84Å; H74-W79 AromaticContact ND1-CZ3 3.56Å; L77-W79 PolarHBondContact O-N 2.62Å; W79-F82 PolarHBondContact O-N 2.77Å; W79-N83 PolarHBondContact NE1-ND2 3.42Å; W79-N83 VanDerWaalsContact NE1-ND2 3.14Å; W79-N83 WeakPolarHBondContact O-CB 2.8Å; W79-N83 PolarHBondContact O-N 3.39Å; W79-I94 PolarHBondContact NE1-O 3.27Å; W79-T95 PolarHBondContact NE1-O 2.69Å; W79-A96 HydrophobicContact CD2-CB 4.37Å; W79-A96 HydrophobicContact CZ2-CB 4.35Å; W79-F99 HydrophobicContact CB-CD1 3.89Å; W79-F99 HydrophobicContact CB-CE1 3.97Å; W79-F99 HydrophobicContact CB-CG 4.26Å; W79-F99 HydrophobicContact CB-CZ 4.42Å; W79-F99 AromaticContact CD1-CG 3.67Å; W79-F99 HydrophobicContact CG-CB 4.5Å; W79-F99 HydrophobicContact CG-CD1 4.31Å; W79-F99 HydrophobicContact CG-CG 4.32Å
80H82.4Confident80.3Confident13 Ų1380.6 Ų80.66%0.0639%0.389CS..Hα-helixtrans-65.9-47.9174.6178.386.9000111.2C58 H74 Y75 L77 D78 F82 N83 L84C58-H80 PolarHBondContact SG-CE1 3.2Å; C58-H80 PolarHBondContact SG-ND1 2.81Å; C58-H80 VanDerWaalsContact SG-ND1 3.41Å; H74-H80 AromaticContact CD2-CG 3.92Å; H74-H80 AromaticContact CD2-ND1 3.39Å; H74-H80 PolarHBondContact CD2-ND1 3.09Å; H74-H80 AromaticContact NE2-CG 3.69Å; H74-H80 AromaticContact NE2-ND1 2.98Å; H74-H80 PolarHBondContact NE2-ND1 3.43Å; H74-H80 WeakPolarHBondContact O-CB 3.46Å; Y75-H80 AromaticContact CD1-CD2 3.96Å; Y75-H80 AromaticContact CD1-CE1 3.46Å; Y75-H80 VanDerWaalsContact CD1-CE1 3.46Å; Y75-H80 WeakPolarHBondContact CD1-CE1 3.44Å; Y75-H80 AromaticContact CD1-ND1 3.9Å; Y75-H80 AromaticContact CD1-NE2 3.5Å; Y75-H80 AromaticContact CE1-CE1 3.42Å; Y75-H80 VanDerWaalsContact CE1-CE1 3.42Å; Y75-H80 WeakPolarHBondContact CE1-CE1 3.44Å; Y75-H80 AromaticContact CE1-NE2 3.8Å; L77-H80 WeakPolarHBondContact O-CB 3.38Å; L77-H80 PolarHBondContact O-N 3.1Å; D78-H80 PolarHBondContact O-N 3.21Å; H80-F82 PolarHBondContact O-N 2.98Å; H80-N83 PolarHBondContact O-N 3.33Å; H80-L84 VanDerWaalsContact O-CB 3.27Å; H80-L84 WeakPolarHBondContact O-CB 3.27Å; H80-L84 PolarHBondContact O-N 2.9Å
81R85.3Confident80.4Confident96 Ų9679.2 Ų79.236%0.36239%0.389SS..Hα-helixtrans-56.8-36.6177.6-65.1158.9153-153.9-7.9111.5L77 D78 R85 E115L77-R81 PolarHBondContact O-N 3.02Å; L77-R81 VanDerWaalsContact O-N 3.13Å; D78-R81 PolarHBondContact O-N 2.87Å; D78-R81 WeakPolarHBondContact OD1-CD 3.47Å; D78-R81 IonicContact OD1-CZ 3.5Å; D78-R81 IonicContact OD1-NE 3.19Å; D78-R81 IonicContact OD1-NH1 3.11Å; D78-R81 PolarHBondContact OD1-NH1 3.07Å; R81-R85 VanDerWaalsContact O-CG 3.31Å; R81-R85 WeakPolarHBondContact O-CG 3.34Å; R81-R85 PolarHBondContact O-N 2.81Å; R81-E115 IonicContact CZ-OE1 2.68Å; R81-E115 IonicContact NH1-OE1 3.33Å; R81-E115 PolarHBondContact NH1-OE1 3.31Å; R81-E115 IonicContact NH2-OE1 2.79Å; R81-E115 PolarHBondContact NH2-OE1 3.31Å
82F80.4Confident80.3Confident38 Ų3882 Ų8217%0.16741%0.411CS..Hα-helixtrans-70.5-54175.3-179.6-92.6000112.4D78 W79 H80 L84 R85 Q86 I94 F99 L108D78-F82 VanDerWaalsContact O-CB 3.23Å; D78-F82 WeakPolarHBondContact O-CB 3.19Å; D78-F82 PolarHBondContact O-N 2.72Å; W79-F82 PolarHBondContact O-N 2.77Å; H80-F82 PolarHBondContact O-N 2.98Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 2.89Å; F82-R85 WeakPolarHBondContact O-CB 3.28Å; F82-R85 PolarHBondContact O-N 3.22Å; F82-Q86 VanDerWaalsContact CE1-OE1 3.28Å; F82-Q86 PolarHBondContact O-N 2.98Å; F82-I94 HydrophobicContact CE1-CB 4.36Å; F82-I94 HydrophobicContact CE1-CD1 4.11Å; F82-F99 HydrophobicContact CB-CD2 4.25Å; F82-F99 HydrophobicContact CB-CE2 3.71Å; F82-F99 AromaticContact CD1-CD2 3.9Å; F82-F99 HydrophobicContact CD1-CD2 3.9Å; F82-F99 HydrophobicContact CD1-CE2 4.15Å; F82-F99 HydrophobicContact CD2-CE2 4.21Å; F82-F99 HydrophobicContact CE1-CD2 4.44Å; F82-F99 HydrophobicContact CG-CD2 4.01Å; F82-F99 AromaticContact CG-CE2 3.76Å; F82-F99 HydrophobicContact CG-CE2 3.76Å; F82-L108 HydrophobicContact CD2-CD2 4.33Å; F82-L108 HydrophobicContact CE2-CD2 3.58Å; F82-L108 HydrophobicContact CZ-CD2 4.21Å
83N83.6Confident80.4Confident0 Ų076.8 Ų76.80%040%0.397CS..Hα-helixtrans-60.9-33.6178.3-88.2-15.2000112.7W79 H80 Q86 K87 P93 I94W79-N83 PolarHBondContact NE1-ND2 3.42Å; W79-N83 VanDerWaalsContact NE1-ND2 3.14Å; W79-N83 WeakPolarHBondContact O-CB 2.8Å; W79-N83 PolarHBondContact O-N 3.39Å; H80-N83 PolarHBondContact O-N 3.33Å; N83-Q86 PolarHBondContact O-N 3Å; N83-Q86 PolarHBondContact OD1-OE1 3.19Å; N83-K87 WeakPolarHBondContact O-CB 3.44Å; N83-K87 PolarHBondContact O-N 3.47Å; N83-P93 HydrophobicContact CB-CB 4.45Å; N83-I94 PolarHBondContact ND2-O 2.83Å; N83-I94 PolarHBondContact OD1-N 2.88Å; N83-I94 PolarHBondContact OD1-O 2.99Å
84L81Confident80.4Confident70 Ų7072.1 Ų72.137%0.36638%0.376SS..Hα-helixtrans-64.9-42.8173.5-17662.1000111.8A60 H80 F82 Q86 M88A60-L84 HydrophobicContact CB-CD1 4.4Å; H80-L84 VanDerWaalsContact O-CB 3.27Å; H80-L84 WeakPolarHBondContact O-CB 3.27Å; H80-L84 PolarHBondContact O-N 2.9Å; F82-L84 VanDerWaalsContact C-N 3.26Å; F82-L84 PolarHBondContact O-N 2.89Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-M88 HydrophobicContact CD1-CE 4.41Å; L84-M88 VanDerWaalsContact O-CG 3.23Å; L84-M88 WeakPolarHBondContact O-CG 3.27Å; L84-M88 PolarHBondContact O-N 2.85Å
85R79.7Confident80.4Confident156 Ų15675.1 Ų75.159%0.58940%0.395SS*.Hα-helixtrans-63.1-40.1172.5-70.5171.6-173.5-172.55.7111.3R81 F82 M88 A89R81-R85 VanDerWaalsContact O-CG 3.31Å; R81-R85 WeakPolarHBondContact O-CG 3.34Å; R81-R85 PolarHBondContact O-N 2.81Å; F82-R85 WeakPolarHBondContact O-CB 3.28Å; F82-R85 PolarHBondContact O-N 3.22Å; R85-M88 PolarHBondContact O-N 3.21Å; R85-A89 PolarHBondContact O-N 3.49Å
86Q80.9Confident80.1Confident34 Ų3472.1 Ų72.116%0.15939%0.393CS..Hα-helixtrans-66-42.6179.3-164167.213.300112.1F82 N83 L84 A89 G90 S91 P92F82-Q86 VanDerWaalsContact CE1-OE1 3.28Å; F82-Q86 PolarHBondContact O-N 2.98Å; N83-Q86 PolarHBondContact O-N 3Å; N83-Q86 PolarHBondContact OD1-OE1 3.19Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-A89 CarbonylContact O-C 3.38Å; Q86-A89 WeakPolarHBondContact O-CA 3.37Å; Q86-A89 PolarHBondContact O-N 3.24Å; Q86-A89 VanDerWaalsContact O-N 3.07Å; Q86-G90 PolarHBondContact O-N 3.48Å; Q86-S91 VanDerWaalsContact CG-CB 3.45Å; Q86-S91 PolarHBondContact O-N 3.31Å; Q86-P92 WeakPolarHBondContact CG-O 3.31Å; Q86-P92 PolarHBondContact NE2-O 2.81Å; Q86-P92 PolarHBondContact OE1-O 2.81Å
87K81.4Confident79.9Confident103 Ų10372.1 Ų72.145%0.44840%0.395SS..Hα-helixtrans-63.3-40.7172.5-176.3172.6177.8-179.70112.4S59 A60 N83 A89 G90S59-K87 PolarHBondContact O-NZ 3.07Å; S59-K87 PolarHBondContact OG-NZ 3.31Å; A60-K87 HydrophobicContact CB-CD 4.23Å; N83-K87 WeakPolarHBondContact O-CB 3.44Å; N83-K87 PolarHBondContact O-N 3.47Å; K87-A89 PolarHBondContact O-N 2.85Å; K87-G90 PolarHBondContact O-N 3.23Å; K87-G90 VanDerWaalsContact O-N 3.11Å
88M74.1Confident79.7Confident158 Ų15872.6 Ų72.678%0.77840%0.395SS*.Hα-helixtrans-65.9-20.4172.4-69.4-71-178.400113.2L84 R85L84-M88 HydrophobicContact CD1-CE 4.41Å; L84-M88 VanDerWaalsContact O-CG 3.23Å; L84-M88 WeakPolarHBondContact O-CG 3.27Å; L84-M88 PolarHBondContact O-N 2.85Å; R85-M88 PolarHBondContact O-N 3.21Å
89A78.8Confident79.7Confident73 Ų7370.9 Ų70.960%0.60339%0.385SS*.THydrogen-bonded Turntrans-95.710.6173.200000113.5R85 Q86 K87 S91R85-A89 PolarHBondContact O-N 3.49Å; Q86-A89 CarbonylContact O-C 3.38Å; Q86-A89 WeakPolarHBondContact O-CA 3.37Å; Q86-A89 PolarHBondContact O-N 3.24Å; Q86-A89 VanDerWaalsContact O-N 3.07Å; K87-A89 PolarHBondContact O-N 2.85Å; A89-S91 PolarHBondContact O-N 3.47Å
90G76Confident79.2Confident74 Ų7474.1 Ų74.176%0.76340%0.401SS*.THydrogen-bonded Turntrans68.811.3178.400000115.4Q86 K87Q86-G90 PolarHBondContact O-N 3.48Å; K87-G90 PolarHBondContact O-N 3.23Å; K87-G90 VanDerWaalsContact O-N 3.11Å
91S79.1Confident78.9Confident55 Ų5581.1 Ų81.139%0.38543%0.432SS..PPolyproline II helixtrans-93.5153-179.3-67.50000111.8Q86 A89Q86-S91 VanDerWaalsContact CG-CB 3.45Å; Q86-S91 PolarHBondContact O-N 3.31Å; A89-S91 PolarHBondContact O-N 3.47Å
92P76.3Confident78.1Confident102 Ų10280.4 Ų80.466%0.66243%0.431SS*.PPolyproline II helixtrans-64.9146.4177.627.9-35.2000111.3Q86Q86-P92 WeakPolarHBondContact CG-O 3.31Å; Q86-P92 PolarHBondContact NE2-O 2.81Å; Q86-P92 PolarHBondContact OE1-O 2.81Å
93P80.4Confident77.5Confident44 Ų4481.9 Ų81.929%0.28644%0.443SS..PPolyproline II helixtrans-70.2147.7175.630.8-34.8000111.2K62 N83K62-P93 HydrophobicContact CD-CG 4.41Å; N83-P93 HydrophobicContact CB-CB 4.45Å
94I80.9Confident76.2Confident26 Ų2691 Ų9113%0.13348%0.478CS..PPolyproline II helixtrans-101.1143.7-178.1-80.1179.5000110.1W79 F82 N83 E98 F99W79-I94 PolarHBondContact NE1-O 3.27Å; F82-I94 HydrophobicContact CE1-CB 4.36Å; F82-I94 HydrophobicContact CE1-CD1 4.11Å; N83-I94 PolarHBondContact ND2-O 2.83Å; N83-I94 PolarHBondContact OD1-N 2.88Å; N83-I94 PolarHBondContact OD1-O 2.99Å; I94-E98 HydrophobicContact CG2-CB 3.53Å; I94-F99 HydrophobicContact CG2-CB 4.24Å
95T81.1Confident75.2Confident70 Ų7091.4 Ų91.443%0.42949%0.491SS..PPolyproline II helixtrans-72.3166.5-178.774.50000112W79 E98 F99W79-T95 PolarHBondContact NE1-O 2.69Å; T95-E98 PolarHBondContact N-OE2 3.37Å; T95-E98 PolarHBondContact O-N 3.39Å; T95-E98 WeakPolarHBondContact OG1-CB 3.42Å; T95-E98 VanDerWaalsContact OG1-CG 3.27Å; T95-E98 WeakPolarHBondContact OG1-CG 3.46Å; T95-E98 PolarHBondContact OG1-N 3.02Å; T95-F99 WeakPolarHBondContact O-CB 3.46Å; T95-F99 PolarHBondContact O-N 3.05Å
96A76.3Confident74Confident47 Ų4786.7 Ų86.739%0.38849%0.491SS..Hα-helixtrans-62.4-43.4177.700000111.9W79 F99 E100W79-A96 HydrophobicContact CD2-CB 4.37Å; W79-A96 HydrophobicContact CZ2-CB 4.35Å; A96-F99 WeakPolarHBondContact O-CB 3.32Å; A96-F99 PolarHBondContact O-N 3.13Å; A96-E100 PolarHBondContact O-N 3.41Å
97E75.8Confident72.7Confident164 Ų16490.4 Ų90.477%0.76651%0.512SS*.Hα-helixtrans-62.5-43.1177-62174.9-160.200112.4E100 K101E97-E100 PolarHBondContact O-N 2.92Å; E97-K101 WeakPolarHBondContact O-CB 3.47Å; E97-K101 PolarHBondContact O-N 3.28Å
98E76.6Confident71.4Confident102 Ų10287.4 Ų87.448%0.47750%0.5SS..Hα-helixtrans-66.3-37.6175.7-72.4175.7154.300111.8I94 T95 K101 K102I94-E98 HydrophobicContact CG2-CB 3.53Å; T95-E98 PolarHBondContact N-OE2 3.37Å; T95-E98 PolarHBondContact O-N 3.39Å; T95-E98 WeakPolarHBondContact OG1-CB 3.42Å; T95-E98 VanDerWaalsContact OG1-CG 3.27Å; T95-E98 WeakPolarHBondContact OG1-CG 3.46Å; T95-E98 PolarHBondContact OG1-N 3.02Å; E98-K101 PolarHBondContact O-N 3.35Å; E98-K102 WeakPolarHBondContact O-CB 3.25Å; E98-K102 PolarHBondContact O-N 3.03Å
99F79.1Confident70Confident25 Ų2585.4 Ų85.411%0.1150%0.502CS..Hα-helixtrans-64.4-47175.6177-100.2000111.5D78 W79 F82 I94 T95 A96 K101 K102 T103 L108D78-F99 HydrophobicContact CB-CZ 4.28Å; W79-F99 HydrophobicContact CB-CD1 3.89Å; W79-F99 HydrophobicContact CB-CE1 3.97Å; W79-F99 HydrophobicContact CB-CG 4.26Å; W79-F99 HydrophobicContact CB-CZ 4.42Å; W79-F99 AromaticContact CD1-CG 3.67Å; W79-F99 HydrophobicContact CG-CB 4.5Å; W79-F99 HydrophobicContact CG-CD1 4.31Å; W79-F99 HydrophobicContact CG-CG 4.32Å; F82-F99 HydrophobicContact CB-CD2 4.25Å; F82-F99 HydrophobicContact CB-CE2 3.71Å; F82-F99 AromaticContact CD1-CD2 3.9Å; F82-F99 HydrophobicContact CD1-CD2 3.9Å; F82-F99 HydrophobicContact CD1-CE2 4.15Å; F82-F99 HydrophobicContact CD2-CE2 4.21Å; F82-F99 HydrophobicContact CE1-CD2 4.44Å; F82-F99 HydrophobicContact CG-CD2 4.01Å; F82-F99 AromaticContact CG-CE2 3.76Å; F82-F99 HydrophobicContact CG-CE2 3.76Å; I94-F99 HydrophobicContact CG2-CB 4.24Å; T95-F99 WeakPolarHBondContact O-CB 3.46Å; T95-F99 PolarHBondContact O-N 3.05Å; A96-F99 WeakPolarHBondContact O-CB 3.32Å; A96-F99 PolarHBondContact O-N 3.13Å; F99-K101 VanDerWaalsContact C-N 3.35Å; F99-K101 PolarHBondContact O-N 3.22Å; F99-K102 PolarHBondContact O-N 3.19Å; F99-K102 VanDerWaalsContact O-N 3.07Å; F99-T103 HydrophobicContact CE1-CG2 4.17Å; F99-T103 HydrophobicContact CE2-CG2 4.45Å; F99-T103 HydrophobicContact CZ-CG2 4.07Å; F99-T103 PolarHBondContact O-N 3.47Å; F99-T103 PolarHBondContact O-OG1 3.05Å; F99-L108 HydrophobicContact CD2-CD1 4.29Å; F99-L108 HydrophobicContact CE2-CD1 4.08Å
100E74.9Confident68.5Low106 Ų10686.6 Ų86.650%0.49551%0.506SS..Hα-helixtrans-59.1-43173-83.6-163.8-15300112.8A96 E97 K102 T103 R104A96-E100 PolarHBondContact O-N 3.41Å; E97-E100 PolarHBondContact O-N 2.92Å; E100-K102 PolarHBondContact O-N 3.43Å; E100-T103 WeakPolarHBondContact CA-OG1 3.48Å; E100-T103 PolarHBondContact O-N 3.24Å; E100-T103 PolarHBondContact O-OG1 3.22Å; E100-R104 WeakPolarHBondContact O-CB 3.36Å; E100-R104 PolarHBondContact O-N 2.81Å; E100-R104 IonicContact OE2-NH2 3.06Å; E100-R104 PolarHBondContact OE2-NH2 3.24Å
101K75.1Confident67.2Low161 Ų16185.9 Ų85.970%0.748%0.484SS*.Hα-helixtrans-60.5-32176.1-170.5174.1-177.8176.70111.5E97 E98 F99 A105E97-K101 WeakPolarHBondContact O-CB 3.47Å; E97-K101 PolarHBondContact O-N 3.28Å; E98-K101 PolarHBondContact O-N 3.35Å; F99-K101 VanDerWaalsContact C-N 3.35Å; F99-K101 PolarHBondContact O-N 3.22Å; K101-A105 WeakPolarHBondContact O-CB 3.4Å; K101-A105 PolarHBondContact O-N 2.83Å; K101-A105 VanDerWaalsContact O-N 3.13Å
102K68.7Low65.1Low80 Ų8089.1 Ų89.135%0.34851%0.507SS..Hα-helixtrans-86.7-32.1-177-152.7159.6-166.8166.70113.9E98 F99 E100 D107 L108E98-K102 WeakPolarHBondContact O-CB 3.25Å; E98-K102 PolarHBondContact O-N 3.03Å; F99-K102 PolarHBondContact O-N 3.19Å; F99-K102 VanDerWaalsContact O-N 3.07Å; E100-K102 PolarHBondContact O-N 3.43Å; K102-D107 WeakPolarHBondContact CE-OD2 3.4Å; K102-D107 HydrophobicContact CG-CB 3.96Å; K102-D107 PolarHBondContact O-N 3.43Å; K102-L108 HydrophobicContact CB-CD1 4.11Å; K102-L108 HydrophobicContact CG-CD1 4.26Å; K102-L108 HydrophobicContact CG-CG 4.25Å
103T67.1Low63.2Low69 Ų6987 Ų8742%0.42350%0.504SS..Hα-helixtrans-67.1-43.9165.447.30000110.8F99 E100 A105 G106 L108F99-T103 HydrophobicContact CE1-CG2 4.17Å; F99-T103 HydrophobicContact CE2-CG2 4.45Å; F99-T103 HydrophobicContact CZ-CG2 4.07Å; F99-T103 PolarHBondContact O-N 3.47Å; F99-T103 PolarHBondContact O-OG1 3.05Å; E100-T103 WeakPolarHBondContact CA-OG1 3.48Å; E100-T103 PolarHBondContact O-N 3.24Å; E100-T103 PolarHBondContact O-OG1 3.22Å; T103-A105 PolarHBondContact O-N 2.81Å; T103-G106 PolarHBondContact O-N 3.26Å; T103-L108 HydrophobicContact CG2-CD1 3.64Å
104R57.2Low60.8Low193 Ų19390.9 Ų90.973%0.72853%0.532SS*.Hα-helixtrans-63.3-26.6177.3-164.9176-58.1157.511.1113.6E100 G106E100-R104 WeakPolarHBondContact O-CB 3.36Å; E100-R104 PolarHBondContact O-N 2.81Å; E100-R104 IonicContact OE2-NH2 3.06Å; E100-R104 PolarHBondContact OE2-NH2 3.24Å; R104-G106 VanDerWaalsContact C-N 3.32Å
105A60.7Low58.3Low77 Ų7796 Ų9664%0.63656%0.555SS**THydrogen-bonded Turntrans-79.2-6.3173.600000114.5K101 T103 D107K101-A105 WeakPolarHBondContact O-CB 3.4Å; K101-A105 PolarHBondContact O-N 2.83Å; K101-A105 VanDerWaalsContact O-N 3.13Å; T103-A105 PolarHBondContact O-N 2.81Å; A105-D107 VanDerWaalsContact C-N 3.26Å; A105-D107 PolarHBondContact O-N 3.05Å
106G52.8Low55.6Low57 Ų5798 Ų9859%0.58857%0.572SS**THydrogen-bonded Turntrans78.61.7-178.600000115.3T103 R104 L108T103-G106 PolarHBondContact O-N 3.26Å; R104-G106 VanDerWaalsContact C-N 3.32Å; G106-L108 PolarHBondContact O-N 3.34Å
107D53.8Low53.5Low113 Ų113102 Ų10260%0.60459%0.587SS**  trans-72.5-0.6-171.1-132.320.2000113.9K102 A105K102-D107 WeakPolarHBondContact CE-OD2 3.4Å; K102-D107 HydrophobicContact CG-CB 3.96Å; K102-D107 PolarHBondContact O-N 3.43Å; A105-D107 VanDerWaalsContact C-N 3.26Å; A105-D107 PolarHBondContact O-N 3.05Å
108L54.3Low51.1Low39 Ų3999.8 Ų99.820%0.20459%0.589CS.*  trans-122.647-168.3-65.4179.3000113.5F82 F99 K102 T103 G106 S110F82-L108 HydrophobicContact CD2-CD2 4.33Å; F82-L108 HydrophobicContact CE2-CD2 3.58Å; F82-L108 HydrophobicContact CZ-CD2 4.21Å; F99-L108 HydrophobicContact CD2-CD1 4.29Å; F99-L108 HydrophobicContact CE2-CD1 4.08Å; K102-L108 HydrophobicContact CB-CD1 4.11Å; K102-L108 HydrophobicContact CG-CD1 4.26Å; K102-L108 HydrophobicContact CG-CG 4.25Å; T103-L108 HydrophobicContact CG2-CD1 3.64Å; G106-L108 PolarHBondContact O-N 3.34Å; L108-S110 PolarHBondContact O-N 3.02Å
109S45.2Very low49Very low116 Ų116101.4 Ų101.481%0.81160%0.601SS**THydrogen-bonded Turntrans-6611.9-178.561.10000116.8
110S47.4Very low46.8Very low99 Ų99107.5 Ų107.569%0.69263%0.63SS**THydrogen-bonded Turntrans-127.925.9-169.4-64.60000114.7L108L108-S110 PolarHBondContact O-N 3.02Å
111I48.2Very low44.7Very low58 Ų58111 Ų11130%0.29765%0.646SS.*SBendtrans-110.8-26.2177.2-116166.2000114.1D78 G113D78-I111 HydrophobicContact CB-CD1 4.17Å; I111-G113 PolarHBondContact O-N 3.01Å
112S35.9Very low42.4Very low123 Ų123110 Ų11086%0.8665%0.649SS**  trans-79.4105.1173.9-170.80000111.3
113G35Very low40.4Very low59 Ų59111 Ų11161%0.60866%0.662SS**  trans-141.611316900000108.6I111 E115I111-G113 PolarHBondContact O-N 3.01Å; G113-E115 PolarHBondContact O-N 3.13Å
114S31.1Very low38.4Very low124 Ų124114.9 Ų114.987%0.86768%0.68SS**  trans-62.197.1-162.6-49.80000114.5
115E27.3Very low37Very low135 Ų135111.4 Ų111.463%0.63169%0.685SS**  trans-84.7132.3149.152.1-161.6-174.400107.9R81 G113R81-E115 IonicContact CZ-OE1 2.68Å; R81-E115 IonicContact NH1-OE1 3.33Å; R81-E115 PolarHBondContact NH1-OE1 3.31Å; R81-E115 IonicContact NH2-OE1 2.79Å; R81-E115 PolarHBondContact NH2-OE1 3.31Å; G113-E115 PolarHBondContact O-N 3.13Å
116S25.7Very low35.4Very low110 Ų110115.4 Ų115.477%0.76970%0.696SS**  trans-139.770.8-170.1-179.80000109.1
117D30.8Very low34.2Very low132 Ų132115.5 Ų115.571%0.70670%0.697SS**  trans-79.2166.6169.1-63-53.9000110.8
118S25.8Very low33Very low117 Ų117122.1 Ų122.182%0.81871%0.714SS**  trans-159.9108.6173.9-61.40000106.8
119D32.1Very low31.7Very low137 Ų137123.1 Ų123.173%0.73373%0.734SS**  trans-103.6-132.8-172.7-68.7-61000111.1
120E34.2Very low30.8Very low153 Ų153123.9 Ų123.972%0.71573%0.733SS**  trans69.1102.9-172.3-29.4-4115700114.1
121E31.3Very low29.8Very low178 Ų178126.1 Ų126.183%0.83274%0.737SS**  85.9142.169.4-79.5-169.7-17500113.4
122D25.5Very low28.7Very low141 Ų141130.1 Ų130.175%0.75476%0.759SS**  cis-163.7-174.7-14.6-168.419.5000110.6
123T26.9Very low28.2Very low102 Ų102132.4 Ų132.463%0.62676%0.757SS**  trans91.9112.4148.7-43.60000121.4
124D25.7Very low27.7Very low150 Ų150134.9 Ų134.980%0.80276%0.764SS**  trans39.1141.4143.2-53.6-20.8000122.8
125S27.8Very low27.5Very low120 Ų120134.8 Ų134.884%0.83976%0.764SS**  -168.7179.255.2-158.10000114.9
126D26.7Very low27.4Very low160 Ų160133 Ų13386%0.85677%0.773SS**  trans-72.5164.8-172.1-89.2-63000116.8
127G26.9Very low27.4Very low60 Ų60135.8 Ų135.862%0.61977%0.773SS**  cis158.2-171.4-400000114.8
128R30.1Very low27.2Very low252 Ų252135.1 Ų135.195%0.95178%0.776SS**  trans68.2134.5174.5-58.3-174.5176.2-149.5-3.7118.6
129G25.7Very low27.2Very low60 Ų60134.8 Ų134.862%0.61977%0.774SS**  cis173.1-176-6.900000114.2
130T27.1Very low26.9Very low132 Ų132132.6 Ų132.681%0.8178%0.775SS**  trans60.9126.916348.90000117.6
131D25.2Very low26.6Very low145 Ų145132.2 Ų132.278%0.77578%0.783SS**  cis-147.8150.213.6-84.5-45.5000115.5
132N25.4Very low26.4Very low142 Ų142130.1 Ų130.176%0.75978%0.783SS**  trans35.2112137.8-161.936.7000121
133E26.4Very low26.5Very low172 Ų172126.2 Ų126.280%0.80478%0.776SS**  -167.6160.3103.9-104.7-160.69000114
134S25.1Very low26.9Very low110 Ų110132.7 Ų132.777%0.76979%0.789SS**  trans-36.7145.5-170.257.50000120.5
135S25.7Very low27.7Very low122 Ų122131.5 Ų131.585%0.85378%0.782SS**  trans-105.6153.3173.257.40000113
136A25.6Very low29.2Very low99 Ų99130.6 Ų130.682%0.81876%0.764SS**  trans-150.295.6168.500000110.7
137E25.7Very low31.2Very low167 Ų167125.9 Ų125.978%0.7874%0.744SS**  trans-77.6123.6177-86-67.8128.600111.6S139E137-S139 PolarHBondContact O-N 3Å
138P27.4Very low33.5Very low119 Ų119125 Ų12577%0.77372%0.723SS**  trans-79.484.3173.333-33000110.6
139S24.2Very low35.8Very low110 Ų110113.1 Ų113.177%0.76968%0.678SS**  trans-62.5169.8165.7-78.40000112.5E137E137-S139 PolarHBondContact O-N 3Å
140A25.7Very low38.4Very low90 Ų90110.3 Ų110.374%0.74465%0.649SS**SBendtrans76124.3179.500000116.9T142A140-T142 PolarHBondContact O-N 3.46Å
141T29.6Very low40.9Very low145 Ų145104 Ų10489%0.8961%0.611SS**  trans-66.393.6165.2390000110.3G143T141-G143 PolarHBondContact O-N 2.92Å
142T26.8Very low43.5Very low135 Ų13599.9 Ų99.983%0.82859%0.587SS**  trans-58127171.334.40000110.5A140A140-T142 PolarHBondContact O-N 3.46Å
143G26.6Very low46Very low59 Ų5993.7 Ų93.761%0.60855%0.553SS**  trans-56145178.300000111.1T141 L145T141-G143 PolarHBondContact O-N 2.92Å; G143-L145 VanDerWaalsContact C-N 3.25Å; G143-L145 PolarHBondContact O-N 3.18Å
144R36.3Very low48.1Very low237 Ų23789.4 Ų89.489%0.89454%0.542SS*.  trans-72.777-173.4-165-176.3-152.2-114.96.2111.4H146R144-H146 PolarHBondContact O-N 3.04Å
145L42.8Very low50.2Low125 Ų12586.3 Ų86.365%0.65452%0.523SS*.  trans-45.4137.2178.4-64.8176000110.9G143 S147G143-L145 VanDerWaalsContact C-N 3.25Å; G143-L145 PolarHBondContact O-N 3.18Å; L145-S147 PolarHBondContact O-N 2.92Å
146H58Low52.2Low102 Ų10281.1 Ų81.147%0.47249%0.489SS..  trans-60.6134.5-179-65.1-97.5000109.7R144 K148 F342R144-H146 PolarHBondContact O-N 3.04Å; H146-K148 PolarHBondContact O-N 2.84Å; H146-K148 VanDerWaalsContact O-N 3.13Å; H146-F342 PolarHBondContact CE1-O 2.67Å; H146-F342 PolarHBondContact ND1-O 3.22Å; H146-F342 VanDerWaalsContact ND1-O 3.12Å
147S68.6Low54.8Low61 Ų6178.6 Ų78.643%0.42746%0.461SS..SBendtrans-70.9-6.7-177.653.20000113.7L145 Y162 R163L145-S147 PolarHBondContact O-N 2.92Å; S147-Y162 WeakPolarHBondContact O-CA 3.38Å; S147-Y162 WeakPolarHBondContact O-CD1 3.39Å; S147-R163 PolarHBondContact O-N 2.94Å
148K76.3Confident57.3Low41 Ų4172.8 Ų72.818%0.17843%0.432CS..EExtended strand (participates in β ladder)trans-123.6144.6173.3-63.9-176.7177.6177.90110.5H146 S160 I161 Y162H146-K148 PolarHBondContact O-N 2.84Å; H146-K148 VanDerWaalsContact O-N 3.13Å; K148-S160 WeakPolarHBondContact CD-OG 3.43Å; K148-I161 CarbonylContact C-O 3.56Å; K148-I161 WeakPolarHBondContact CA-O 3.49Å; K148-Y162 HydrophobicContact CD-CE1 4.47Å; K148-Y162 VanDerWaalsContact CE-CZ 3.4Å; K148-Y162 WeakPolarHBondContact CE-OH 3.23Å; K148-Y162 HydrophobicContact CG-CD1 3.88Å; K148-Y162 HydrophobicContact CG-CE1 3.97Å; K148-Y162 HydrophobicContact CG-CG 4.33Å
149V77.8Confident59.9Low2 Ų267.7 Ų67.71%0.01240%0.398CS..EExtended strand (participates in β ladder)trans-97.7151.4167.3176.50000108.1E24 F151 S160 I161 R163 I177E24-V149 HydrophobicContact CG-CG1 4.32Å; V149-F151 HydrophobicContact CB-CE2 4.25Å; V149-F151 HydrophobicContact CB-CZ 4.39Å; V149-F151 HydrophobicContact CG1-CD2 4.26Å; V149-F151 HydrophobicContact CG1-CE1 3.97Å; V149-F151 HydrophobicContact CG1-CE2 3.67Å; V149-F151 HydrophobicContact CG1-CZ 3.51Å; V149-S160 WeakPolarHBondContact O-CA 3.39Å; V149-I161 PolarHBondContact N-O 2.7Å; V149-I161 PolarHBondContact O-N 2.82Å; V149-R163 HydrophobicContact CG2-CB 3.92Å; V149-R163 HydrophobicContact CG2-CG 3.98Å; V149-I177 HydrophobicContact CG1-CD1 4.17Å; V149-I177 HydrophobicContact CG2-CD1 4.05Å
150V80.6Confident62.7Low2 Ų262.5 Ų62.51%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-122.8122.41741770000109.8V25 Y158 L159 M338 F342V25-V150 HydrophobicContact CB-CG1 4.48Å; V25-V150 HydrophobicContact CG2-CG1 4.47Å; V25-V150 PolarHBondContact N-O 2.92Å; V25-V150 VanDerWaalsContact N-O 3.08Å; V150-Y158 HydrophobicContact CG1-CD1 4.04Å; V150-Y158 HydrophobicContact CG1-CG 4.44Å; V150-L159 WeakPolarHBondContact CA-O 3.44Å; V150-M338 HydrophobicContact CB-CE 4.48Å; V150-M338 HydrophobicContact CG1-CE 3.67Å; V150-M338 HydrophobicContact CG2-CE 3.94Å; V150-F342 HydrophobicContact CB-CZ 4.21Å; V150-F342 HydrophobicContact CG2-CE1 4.01Å; V150-F342 HydrophobicContact CG2-CZ 3.79Å
151F79.3Confident65.4Low0 Ų058.3 Ų58.30%033%0.327CS..EExtended strand (participates in β ladder)trans-104.3153.7170.2-53.9-82.8000109.9L22 R23 E24 V149 Y158 L159 I161 L166 I177 V178L22-F151 HydrophobicContact CD2-CB 4.2Å; R23-F151 CarbonylContact O-C 3.51Å; R23-F151 VanDerWaalsContact O-CA 3.31Å; R23-F151 WeakPolarHBondContact O-CA 3.32Å; E24-F151 HydrophobicContact CB-CD1 4.38Å; V149-F151 HydrophobicContact CB-CE2 4.25Å; V149-F151 HydrophobicContact CB-CZ 4.39Å; V149-F151 HydrophobicContact CG1-CD2 4.26Å; V149-F151 HydrophobicContact CG1-CE1 3.97Å; V149-F151 HydrophobicContact CG1-CE2 3.67Å; V149-F151 HydrophobicContact CG1-CZ 3.51Å; F151-Y158 CarbonylContact O-C 3.48Å; F151-Y158 WeakPolarHBondContact O-CA 3.45Å; F151-L159 HydrophobicContact CB-CB 4.48Å; F151-L159 PolarHBondContact N-O 2.6Å; F151-L159 PolarHBondContact O-N 2.9Å; F151-I161 HydrophobicContact CD2-CD1 4.12Å; F151-I161 HydrophobicContact CD2-CG1 4.44Å; F151-I161 HydrophobicContact CE2-CB 4.47Å; F151-I161 HydrophobicContact CE2-CD1 4.02Å; F151-I161 HydrophobicContact CE2-CG1 4.41Å; F151-L166 HydrophobicContact CE2-CD1 3.87Å; F151-L166 HydrophobicContact CZ-CD1 3.88Å; F151-I177 HydrophobicContact CE1-CB 4.23Å; F151-I177 HydrophobicContact CZ-CB 4.11Å; F151-I177 HydrophobicContact CZ-CG2 3.92Å; F151-V178 HydrophobicContact CD1-CG2 4.32Å; F151-V178 HydrophobicContact CE1-CG2 4.06Å
152Q79.3Confident68Low58 Ų5853.1 Ų53.127%0.27129%0.291SS..EExtended strand (participates in β ladder)trans-111.6132.1168-169.6170.635.300110L22 R23 V25 G156 E157 Y158L22-Q152 WeakPolarHBondContact CA-O 3.49Å; R23-Q152 PolarHBondContact N-O 3.35Å; R23-Q152 VanDerWaalsContact N-O 3.12Å; R23-Q152 PolarHBondContact O-N 3.39Å; V25-Q152 HydrophobicContact CG2-CB 3.64Å; Q152-G156 PolarHBondContact NE2-O 3.48Å; Q152-E157 CarbonylContact C-O 3.56Å; Q152-E157 WeakPolarHBondContact CA-O 3.5Å; Q152-Y158 HydrophobicContact CB-CD1 4.12Å; Q152-Y158 HydrophobicContact CB-CE1 4.2Å; Q152-Y158 HydrophobicContact CG-CD1 4.17Å; Q152-Y158 HydrophobicContact CG-CE1 4.04Å; Q152-Y158 PolarHBondContact NE2-OH 3.22Å
153N77.9Confident70.4Confident12 Ų1249.7 Ų49.76%0.06426%0.263CS..  trans-78160.3173.4-170.96000110.8E18 L22 A155 G156 E157E18-N153 PolarHBondContact O-OD1 2.98Å; L22-N153 HydrophobicContact CD2-CB 4.4Å; N153-A155 PolarHBondContact O-N 3.22Å; N153-G156 WeakPolarHBondContact O-CA 2.78Å; N153-G156 PolarHBondContact O-N 3.1Å; N153-E157 PolarHBondContact N-O 2.77Å
154S70.2Confident72.9Confident82 Ų8247.8 Ų47.857%0.57324%0.24SC*.THydrogen-bonded Turntrans-50.6-33.7166.858.80000113.6G156S154-G156 PolarHBondContact O-N 3.23Å
155A69.3Low74.9Confident44 Ų4436.6 Ų36.636%0.36420%0.198SC..THydrogen-bonded Turntrans-68.9-6.1173.600000114.2N153 E157 K334N153-A155 PolarHBondContact O-N 3.22Å; A155-E157 VanDerWaalsContact C-N 3.34Å; A155-E157 HydrophobicContact CB-CG 4.29Å; A155-K334 WeakPolarHBondContact O-CE 3.48Å; A155-K334 PolarHBondContact O-NZ 3.33Å
156G68.3Low76.4Confident14 Ų1431 Ų3114%0.14417%0.169CC..SBendtrans86.6-6.9-179.500000115.4Q152 N153 S154Q152-G156 PolarHBondContact NE2-O 3.48Å; N153-G156 WeakPolarHBondContact O-CA 2.78Å; N153-G156 PolarHBondContact O-N 3.1Å; S154-G156 PolarHBondContact O-N 3.23Å
157E80.1Confident76.7Confident46 Ų4626.8 Ų26.822%0.21515%0.15CC..  trans-69.7149177.7-54.7177.8128.700112.6Q152 N153 A155 V331Q152-E157 CarbonylContact C-O 3.56Å; Q152-E157 WeakPolarHBondContact CA-O 3.5Å; N153-E157 PolarHBondContact N-O 2.77Å; A155-E157 VanDerWaalsContact C-N 3.34Å; A155-E157 HydrophobicContact CB-CG 4.29Å; E157-V331 HydrophobicContact CB-CG1 4.29Å
158Y79.4Confident76.3Confident45 Ų4524.6 Ų24.618%0.17614%0.137CC..EExtended strand (participates in β ladder)trans-100.3126.6176.8-58.6-73.9000111.8V25 V150 F151 Q152 Y332 M338V25-Y158 HydrophobicContact CG1-CE1 4.3Å; V25-Y158 HydrophobicContact CG2-CD1 4.15Å; V25-Y158 HydrophobicContact CG2-CE1 4.06Å; V150-Y158 HydrophobicContact CG1-CD1 4.04Å; V150-Y158 HydrophobicContact CG1-CG 4.44Å; F151-Y158 CarbonylContact O-C 3.48Å; F151-Y158 WeakPolarHBondContact O-CA 3.45Å; Q152-Y158 HydrophobicContact CB-CD1 4.12Å; Q152-Y158 HydrophobicContact CB-CE1 4.2Å; Q152-Y158 HydrophobicContact CG-CD1 4.17Å; Q152-Y158 HydrophobicContact CG-CE1 4.04Å; Q152-Y158 PolarHBondContact NE2-OH 3.22Å; Y158-Y332 PolarHBondContact N-O 3.49Å; Y158-Y332 PolarHBondContact O-N 3.04Å; Y158-M338 HydrophobicContact CD2-CG 4.05Å; Y158-M338 HydrophobicContact CD2-SD 4.05Å; Y158-M338 HydrophobicContact CE2-CG 4.27Å; Y158-M338 HydrophobicContact CG-CE 4.04Å; Y158-M338 HydrophobicContact CG-CG 4.35Å; Y158-M338 HydrophobicContact CG-SD 4.18Å
159L81.4Confident75.3Confident11 Ų1131.5 Ų31.56%0.05817%0.167CC..EExtended strand (participates in β ladder)trans-106.3117.7177.2-57.4179.3000109.8L22 V150 F151 V329 V331L22-L159 HydrophobicContact CD2-CD1 3.82Å; V150-L159 WeakPolarHBondContact CA-O 3.44Å; F151-L159 HydrophobicContact CB-CB 4.48Å; F151-L159 PolarHBondContact N-O 2.6Å; F151-L159 PolarHBondContact O-N 2.9Å; L159-V329 HydrophobicContact CB-CG1 4.11Å; L159-V329 HydrophobicContact CD2-CG1 4.2Å; L159-V331 HydrophobicContact CD2-CB 4.31Å; L159-V331 HydrophobicContact CD2-CG1 4.08Å; L159-V331 HydrophobicContact CD2-CG2 3.8Å
160S82.8Confident73.9Confident2 Ų234.6 Ų34.61%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-104.3123.8177.5-161.70000112.1K148 V149 Q330K148-S160 WeakPolarHBondContact CD-OG 3.43Å; V149-S160 WeakPolarHBondContact O-CA 3.39Å; S160-Q330 PolarHBondContact N-O 3.35Å; S160-Q330 PolarHBondContact O-N 3.26Å; S160-Q330 VanDerWaalsContact O-N 3.12Å
161I82.6Confident72.5Confident1 Ų138 Ų381%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-131.2143.1-173.9-52.8-175.2000109.6I10 L13 K148 V149 F151 R163 A165 L166 L181 V329I10-I161 HydrophobicContact CD1-CG2 3.78Å; L13-I161 HydrophobicContact CD1-CD1 4.14Å; K148-I161 CarbonylContact C-O 3.56Å; K148-I161 WeakPolarHBondContact CA-O 3.49Å; V149-I161 PolarHBondContact N-O 2.7Å; V149-I161 PolarHBondContact O-N 2.82Å; F151-I161 HydrophobicContact CD2-CD1 4.12Å; F151-I161 HydrophobicContact CD2-CG1 4.44Å; F151-I161 HydrophobicContact CE2-CB 4.47Å; F151-I161 HydrophobicContact CE2-CD1 4.02Å; F151-I161 HydrophobicContact CE2-CG1 4.41Å; I161-R163 PolarHBondContact O-N 2.87Å; I161-A165 HydrophobicContact CG2-CB 4.43Å; I161-L166 HydrophobicContact CB-CD1 4.4Å; I161-L166 HydrophobicContact CG2-CD1 3.99Å; I161-L166 HydrophobicContact CG2-CG 4.2Å; I161-L181 HydrophobicContact CD1-CD1 3.91Å; I161-L181 HydrophobicContact CD1-CD2 4.3Å; I161-V329 HydrophobicContact CD1-CG1 4.22Å; I161-V329 HydrophobicContact CD1-CG2 4.07Å; I161-V329 HydrophobicContact CG1-CB 4.48Å; I161-V329 HydrophobicContact CG1-CG1 3.94Å; I161-V329 HydrophobicContact CG1-CG2 4.08Å
162Y82.8Confident71.1Confident36 Ų3642.3 Ų42.314%0.14124%0.241CC..EExtended strand (participates in β ladder)trans-68128.1176.7-77.6-79000112.2S147 K148 C164 A165 P308 I309 V325 L326S147-Y162 WeakPolarHBondContact O-CA 3.38Å; S147-Y162 WeakPolarHBondContact O-CD1 3.39Å; K148-Y162 HydrophobicContact CD-CE1 4.47Å; K148-Y162 VanDerWaalsContact CE-CZ 3.4Å; K148-Y162 WeakPolarHBondContact CE-OH 3.23Å; K148-Y162 HydrophobicContact CG-CD1 3.88Å; K148-Y162 HydrophobicContact CG-CE1 3.97Å; K148-Y162 HydrophobicContact CG-CG 4.33Å; Y162-C164 PolarHBondContact O-N 3.16Å; Y162-C164 VanDerWaalsContact O-N 3.15Å; Y162-A165 VanDerWaalsContact O-CB 3.31Å; Y162-A165 WeakPolarHBondContact O-CB 3.15Å; Y162-A165 PolarHBondContact O-N 3.14Å; Y162-P308 HydrophobicContact CD1-CG 3.96Å; Y162-P308 HydrophobicContact CE1-CG 4.41Å; Y162-I309 HydrophobicContact CD1-CG2 4.43Å; Y162-I309 HydrophobicContact CE1-CG2 3.64Å; Y162-I309 HydrophobicContact CE2-CG2 4.49Å; Y162-V325 WeakPolarHBondContact CD2-O 3.23Å; Y162-V325 HydrophobicContact CE2-CG1 3.81Å; Y162-V325 VanDerWaalsContact CE2-O 3.23Å; Y162-V325 WeakPolarHBondContact CE2-O 3.39Å; Y162-L326 HydrophobicContact CD2-CD2 4.46Å; Y162-L326 HydrophobicContact CG-CD2 4.33Å
163R79.2Confident69.4Low64 Ų6445.8 Ų45.824%0.24226%0.262CS..Hα-helixtrans-58.1-34.9-176.8-170.7169.6171.9147.8-3112.4S147 V149 I161 A165 L166 M167S147-R163 PolarHBondContact O-N 2.94Å; V149-R163 HydrophobicContact CG2-CB 3.92Å; V149-R163 HydrophobicContact CG2-CG 3.98Å; I161-R163 PolarHBondContact O-N 2.87Å; R163-A165 VanDerWaalsContact C-N 3.26Å; R163-A165 PolarHBondContact O-N 3.07Å; R163-L166 PolarHBondContact O-N 3.11Å; R163-L166 VanDerWaalsContact O-N 3.09Å; R163-M167 HydrophobicContact CG-CB 4.43Å; R163-M167 HydrophobicContact CG-CG 4.4Å; R163-M167 HydrophobicContact CG-SD 3.97Å; R163-M167 VanDerWaalsContact CZ-SD 3.5Å; R163-M167 PolarHBondContact NE-SD 3.39Å; R163-M167 PolarHBondContact NH2-SD 2.96Å; R163-M167 VanDerWaalsContact NH2-SD 3.43Å; R163-M167 PolarHBondContact O-N 2.88Å
164C77.9Confident68Low18 Ų1854.5 Ų54.512%0.12230%0.302CS..Hα-helixtrans-67.7-17.2175.761.50000114.7Y162 L166 F278 R305 P308 L326Y162-C164 PolarHBondContact O-N 3.16Å; Y162-C164 VanDerWaalsContact O-N 3.15Å; C164-L166 VanDerWaalsContact C-N 3.27Å; C164-F278 HydrophobicContact CB-CE1 4.28Å; C164-F278 VanDerWaalsContact O-CE1 3.24Å; C164-F278 WeakPolarHBondContact O-CE1 3.35Å; C164-R305 WeakPolarHBondContact O-CD 3.38Å; C164-R305 PolarHBondContact O-NH1 2.81Å; C164-P308 WeakPolarHBondContact SG-CD 3.31Å; C164-L326 VanDerWaalsContact SG-CD2 3.59Å
165A79Confident67Low2 Ų258.4 Ų58.42%0.01731%0.311CS..Hα-helixtrans-71.9-28.2171.400000111I10 I161 Y162 R163 W190 R305I10-A165 HydrophobicContact CD1-CB 4.14Å; I161-A165 HydrophobicContact CG2-CB 4.43Å; Y162-A165 VanDerWaalsContact O-CB 3.31Å; Y162-A165 WeakPolarHBondContact O-CB 3.15Å; Y162-A165 PolarHBondContact O-N 3.14Å; R163-A165 VanDerWaalsContact C-N 3.26Å; R163-A165 PolarHBondContact O-N 3.07Å; A165-W190 HydrophobicContact CB-CH2 3.97Å; A165-W190 HydrophobicContact CB-CZ2 4.32Å; A165-R305 PolarHBondContact O-NH1 2.85Å
166L73.1Confident66.4Low7 Ų762.3 Ų62.34%0.03733%0.325CS..Hα-helixtrans-103.2-44.5-171.9-57.9177.7000113.2I10 F151 I161 R163 C164 I177 L181 R305I10-L166 HydrophobicContact CD1-CD2 4.01Å; F151-L166 HydrophobicContact CE2-CD1 3.87Å; F151-L166 HydrophobicContact CZ-CD1 3.88Å; I161-L166 HydrophobicContact CB-CD1 4.4Å; I161-L166 HydrophobicContact CG2-CD1 3.99Å; I161-L166 HydrophobicContact CG2-CG 4.2Å; R163-L166 PolarHBondContact O-N 3.11Å; R163-L166 VanDerWaalsContact O-N 3.09Å; C164-L166 VanDerWaalsContact C-N 3.27Å; L166-I177 HydrophobicContact CB-CG2 3.87Å; L166-I177 HydrophobicContact CD1-CG2 3.64Å; L166-I177 HydrophobicContact CG-CG2 4.37Å; L166-L181 HydrophobicContact CD2-CB 4.07Å; L166-L181 HydrophobicContact CD2-CD1 3.8Å; L166-R305 PolarHBondContact O-NH2 3.11Å
167M65.9Low66.3Low15 Ų1562 Ų627%0.07432%0.321CS..  trans-115.4145.9-169.8-56.1178.494.300112.9R163 D171 I177 R305R163-M167 HydrophobicContact CG-CB 4.43Å; R163-M167 HydrophobicContact CG-CG 4.4Å; R163-M167 HydrophobicContact CG-SD 3.97Å; R163-M167 VanDerWaalsContact CZ-SD 3.5Å; R163-M167 PolarHBondContact NE-SD 3.39Å; R163-M167 PolarHBondContact NH2-SD 2.96Å; R163-M167 VanDerWaalsContact NH2-SD 3.43Å; R163-M167 PolarHBondContact O-N 2.88Å; M167-D171 HydrophobicContact CB-CB 4.42Å; M167-D171 HydrophobicContact CE-CB 3.91Å; M167-D171 WeakPolarHBondContact CE-O 3.43Å; M167-I177 HydrophobicContact CE-CD1 4.45Å; M167-I177 HydrophobicContact CE-CG1 4.19Å; M167-I177 HydrophobicContact CG-CG2 4.23Å; M167-I177 HydrophobicContact SD-CD1 3.75Å; M167-I177 HydrophobicContact SD-CG1 3.97Å; M167-I177 HydrophobicContact SD-CG2 4.27Å; M167-R305 VanDerWaalsContact O-CD 3.29Å; M167-R305 WeakPolarHBondContact O-CD 3.47Å; M167-R305 PolarHBondContact O-NE 2.81Å
168G59.6Low65.6Low15 Ų1561.1 Ų61.116%0.15532%0.318CS..  trans-76.2-171.9165.900000112.6D171 P302G168-D171 WeakPolarHBondContact CA-OD2 3.16Å; G168-D171 PolarHBondContact N-OD2 3.46Å; G168-P302 VanDerWaalsContact CA-O 3.29Å; G168-P302 WeakPolarHBondContact CA-O 3.37Å
169K55.6Low65.1Low185 Ų18562 Ų6280%0.80433%0.33SS*.SBendtrans-90.7-9.5178.1-153.1-141.7169.4-154.90113.6
170A47.7Very low64.5Low68 Ų6863.9 Ų63.956%0.56234%0.343SS*.SBendtrans-85.5-30.8176.700000112S172 P302A170-S172 PolarHBondContact O-N 3.22Å; A170-P302 HydrophobicContact CB-CB 4.18Å
171D52.4Low63.8Low72 Ų7264 Ų6439%0.38534%0.344SS..  trans-75.859.8-174.5-33.3-36.3000111.6M167 G168M167-D171 HydrophobicContact CB-CB 4.42Å; M167-D171 HydrophobicContact CE-CB 3.91Å; M167-D171 WeakPolarHBondContact CE-O 3.43Å; G168-D171 WeakPolarHBondContact CA-OD2 3.16Å; G168-D171 PolarHBondContact N-OD2 3.46Å
172S48.1Very low63.1Low91 Ų9169.2 Ų69.264%0.63637%0.367SS*.  trans-87.5-26.5-178.8-59.50000112.5A170A170-S172 PolarHBondContact O-N 3.22Å
173D43.4Very low62.6Low132 Ų13271.9 Ų71.971%0.70639%0.387SS*.SBendtrans-88.6162.8-179.5-54.2-49.9000111.8H175D173-H175 PolarHBondContact O-N 3.21Å
174E49.9Very low62.4Low195 Ų19569.1 Ų69.191%0.91138%0.377SS*.  trans-75.384.5-167.5-60-172.8142.900112.7
175H48.8Very low62.5Low164 Ų16471.7 Ų71.776%0.75939%0.389SS*.  trans-121140.1166.6-81.420.6000110.7D173 I177D173-H175 PolarHBondContact O-N 3.21Å; H175-I177 PolarHBondContact O-N 3.17Å
176D57.7Low62.5Low125 Ų12576.8 Ų76.867%0.66841%0.413SS*.  trans-53126.1-166.9-74.5-63.9000113.2V178 P179D176-V178 PolarHBondContact O-N 3.29Å; D176-P179 HydrophobicContact CB-CG 3.89Å; D176-P179 WeakPolarHBondContact O-CD 3.24Å
177I65.6Low62.9Low9 Ų984.3 Ų84.35%0.04645%0.445CS..Hα-helixtrans-73.2-17.5174.1-40-173.3000110.7E24 V149 F151 L166 M167 H175 S180 L181E24-I177 WeakPolarHBondContact OE2-CD1 3.26Å; V149-I177 HydrophobicContact CG1-CD1 4.17Å; V149-I177 HydrophobicContact CG2-CD1 4.05Å; F151-I177 HydrophobicContact CE1-CB 4.23Å; F151-I177 HydrophobicContact CZ-CB 4.11Å; F151-I177 HydrophobicContact CZ-CG2 3.92Å; L166-I177 HydrophobicContact CB-CG2 3.87Å; L166-I177 HydrophobicContact CD1-CG2 3.64Å; L166-I177 HydrophobicContact CG-CG2 4.37Å; M167-I177 HydrophobicContact CE-CD1 4.45Å; M167-I177 HydrophobicContact CE-CG1 4.19Å; M167-I177 HydrophobicContact CG-CG2 4.23Å; M167-I177 HydrophobicContact SD-CD1 3.75Å; M167-I177 HydrophobicContact SD-CG1 3.97Å; M167-I177 HydrophobicContact SD-CG2 4.27Å; H175-I177 PolarHBondContact O-N 3.17Å; I177-S180 PolarHBondContact O-N 2.95Å; I177-L181 PolarHBondContact O-N 3.47Å
178V64.6Low63.9Low26 Ų2684.2 Ų84.216%0.15845%0.446CS..Hα-helixtrans-71.3-46.2-175.3177.50000113.6L22 F151 D176 S180 L181 K182L22-V178 HydrophobicContact CB-CG2 4.48Å; F151-V178 HydrophobicContact CD1-CG2 4.32Å; F151-V178 HydrophobicContact CE1-CG2 4.06Å; D176-V178 PolarHBondContact O-N 3.29Å; V178-S180 VanDerWaalsContact C-N 3.33Å; V178-S180 PolarHBondContact O-N 2.91Å; V178-L181 WeakPolarHBondContact O-CB 3.47Å; V178-L181 PolarHBondContact O-N 3.43Å; V178-K182 WeakPolarHBondContact O-CG 3.02Å; V178-K182 PolarHBondContact O-N 2.91Å
179P68.6Low65.4Low65 Ų6584.4 Ų84.442%0.42244%0.443SS..Hα-helixtrans-53.5-44.6166.2-29.236.5000113.5D176 L181 K182 T183D176-P179 HydrophobicContact CB-CG 3.89Å; D176-P179 WeakPolarHBondContact O-CD 3.24Å; P179-L181 VanDerWaalsContact C-N 3.26Å; P179-L181 PolarHBondContact O-N 3.12Å; P179-K182 WeakPolarHBondContact O-CA 3.25Å; P179-K182 WeakPolarHBondContact O-CB 3.25Å; P179-K182 PolarHBondContact O-N 2.82Å; P179-T183 PolarHBondContact O-N 3.09Å; P179-T183 PolarHBondContact O-OG1 2.9Å; P179-T183 VanDerWaalsContact O-OG1 3.13Å
180S68.9Low67.2Low49 Ų4975.6 Ų75.634%0.34341%0.405SS..Hα-helixtrans-63.5-31.5178.6-62.20000112.9I177 V178I177-S180 PolarHBondContact O-N 2.95Å; V178-S180 VanDerWaalsContact C-N 3.33Å; V178-S180 PolarHBondContact O-N 2.91Å
181L69.5Low69.4Low6 Ų672.4 Ų72.43%0.03138%0.379CS..Hα-helixtrans-69.2-41.7169.3179.865.3000112I10 L13 L22 I161 L166 I177 V178 P179 T183 V184I10-L181 HydrophobicContact CD1-CD1 4.14Å; I10-L181 HydrophobicContact CG1-CD1 3.86Å; L13-L181 HydrophobicContact CD1-CD1 4.29Å; L22-L181 HydrophobicContact CD1-CD2 3.61Å; I161-L181 HydrophobicContact CD1-CD1 3.91Å; I161-L181 HydrophobicContact CD1-CD2 4.3Å; L166-L181 HydrophobicContact CD2-CB 4.07Å; L166-L181 HydrophobicContact CD2-CD1 3.8Å; I177-L181 PolarHBondContact O-N 3.47Å; V178-L181 WeakPolarHBondContact O-CB 3.47Å; V178-L181 PolarHBondContact O-N 3.43Å; P179-L181 VanDerWaalsContact C-N 3.26Å; P179-L181 PolarHBondContact O-N 3.12Å; L181-T183 VanDerWaalsContact C-N 3.26Å; L181-T183 PolarHBondContact O-N 3.27Å; L181-V184 WeakPolarHBondContact O-CB 3.06Å; L181-V184 PolarHBondContact O-N 2.96Å
182K66.4Low71.4Confident110 Ų11069 Ų6948%0.47836%0.36SS..Hα-helixtrans-63.3-28.9177.4-70.2173.7178.2179.40113.4V178 P179 V184V178-K182 WeakPolarHBondContact O-CG 3.02Å; V178-K182 PolarHBondContact O-N 2.91Å; P179-K182 WeakPolarHBondContact O-CA 3.25Å; P179-K182 WeakPolarHBondContact O-CB 3.25Å; P179-K182 PolarHBondContact O-N 2.82Å; K182-V184 PolarHBondContact O-N 2.88Å
183T71.9Confident73.5Confident92 Ų9264.6 Ų64.656%0.56433%0.33SS*.THydrogen-bonded Turntrans-70.1-19.3174.4-530000112.7P179 L181 N185 T188P179-T183 PolarHBondContact O-N 3.09Å; P179-T183 PolarHBondContact O-OG1 2.9Å; P179-T183 VanDerWaalsContact O-OG1 3.13Å; L181-T183 VanDerWaalsContact C-N 3.26Å; L181-T183 PolarHBondContact O-N 3.27Å; T183-N185 PolarHBondContact O-N 3.12Å; T183-T188 WeakPolarHBondContact O-CG2 3.46Å
184V76.9Confident75.9Confident6 Ų658.5 Ų58.54%0.03630%0.297CS..  trans-79.1119.2176.3-178.40000110.1I10 F11 C14 L181 K182I10-V184 HydrophobicContact CG1-CG1 4.19Å; I10-V184 HydrophobicContact CG2-CG1 4.13Å; F11-V184 HydrophobicContact CD1-CG1 3.59Å; F11-V184 HydrophobicContact CE1-CG1 3.89Å; C14-V184 PolarHBondContact SG-O 2.81Å; L181-V184 WeakPolarHBondContact O-CB 3.06Å; L181-V184 PolarHBondContact O-N 2.96Å; K182-V184 PolarHBondContact O-N 2.88Å
185N78.6Confident77.9Confident71 Ų7149.6 Ų49.638%0.3826%0.256SS..  trans-142.7175.1178.86841.6000110.7F11 T183 K187 T188F11-N185 WeakPolarHBondContact CD1-O 3.45Å; T183-N185 PolarHBondContact O-N 3.12Å; N185-K187 PolarHBondContact O-N 3.4Å; N185-K187 WeakPolarHBondContact OD1-CA 3.41Å; N185-K187 WeakPolarHBondContact OD1-CB 3.5Å; N185-K187 PolarHBondContact OD1-N 3.11Å; N185-T188 PolarHBondContact O-N 3.24Å; N185-T188 PolarHBondContact O-OG1 3.03Å; N185-T188 PolarHBondContact OD1-N 3.46Å
186Q79Confident79.8Confident110 Ų11042.9 Ų42.951%0.51423%0.231SC..THydrogen-bonded Turntrans-62.8-13.9-176.9-65.6-179.2-13.400115F11 D12 G207F11-Q186 HydrophobicContact CB-CG 4.18Å; D12-Q186 PolarHBondContact OD1-NE2 3.05Å; D12-Q186 VanDerWaalsContact OD1-NE2 3.1Å; Q186-G207 WeakPolarHBondContact O-CA 3.33Å; Q186-G207 PolarHBondContact O-N 3.35Å
187K82.6Confident81Confident164 Ų16438.1 Ų38.171%0.71321%0.212SC*.THydrogen-bonded Turntrans-98.24.9174.1-58.9-170.2177.9-171.90113.9N185 V189 E206N185-K187 PolarHBondContact O-N 3.4Å; N185-K187 WeakPolarHBondContact OD1-CA 3.41Å; N185-K187 WeakPolarHBondContact OD1-CB 3.5Å; N185-K187 PolarHBondContact OD1-N 3.11Å; K187-V189 PolarHBondContact O-N 3.26Å; K187-E206 WeakPolarHBondContact CA-OE1 3.5Å
188T86.3Confident82Confident14 Ų1437.9 Ų37.99%0.08621%0.211CC..  trans-74.3125179.149.30000111.7F11 T183 N185 G207F11-T188 WeakPolarHBondContact CE1-OG1 3.31Å; T183-T188 WeakPolarHBondContact O-CG2 3.46Å; N185-T188 PolarHBondContact O-N 3.24Å; N185-T188 PolarHBondContact O-OG1 3.03Å; N185-T188 PolarHBondContact OD1-N 3.46Å; T188-G207 PolarHBondContact O-N 3.25Å
189V90.6Very high83.2Confident18 Ų1837.7 Ų37.711%0.10921%0.209CC..EExtended strand (participates in β ladder)trans-86.3120.5-179.71790000110.3K187 V204 F205 A274 S275K187-V189 PolarHBondContact O-N 3.26Å; V189-V204 HydrophobicContact CG1-CG1 3.74Å; V189-F205 CarbonylContact C-O 3.57Å; V189-F205 VanDerWaalsContact CA-O 3.24Å; V189-F205 WeakPolarHBondContact CA-O 3.38Å; V189-A274 HydrophobicContact CG1-CB 4.47Å; V189-A274 WeakPolarHBondContact O-CA 3.49Å; V189-S275 PolarHBondContact O-N 2.82Å
190W93.1Very high84.5Confident1 Ų134.7 Ų34.70%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-117.1129.5175.4-76.86.9000110I10 F11 A165 F205 F278 H323 L326I10-W190 HydrophobicContact CG2-CH2 4.02Å; F11-W190 HydrophobicContact CE1-CD2 4.33Å; F11-W190 HydrophobicContact CE1-CH2 4.34Å; F11-W190 HydrophobicContact CE1-CZ2 4.1Å; F11-W190 HydrophobicContact CZ-CD2 4.02Å; F11-W190 AromaticContact CZ-CE3 3.83Å; F11-W190 HydrophobicContact CZ-CE3 3.83Å; F11-W190 HydrophobicContact CZ-CH2 4.01Å; F11-W190 HydrophobicContact CZ-CZ2 4.18Å; F11-W190 AromaticContact CZ-CZ3 3.83Å; F11-W190 HydrophobicContact CZ-CZ3 3.83Å; A165-W190 HydrophobicContact CB-CH2 3.97Å; A165-W190 HydrophobicContact CB-CZ2 4.32Å; W190-F205 PolarHBondContact N-O 2.92Å; W190-F205 PolarHBondContact O-N 2.85Å; W190-F278 HydrophobicContact CB-CE2 4.37Å; W190-F278 AromaticContact CD2-CE2 3.84Å; W190-F278 HydrophobicContact CD2-CE2 3.84Å; W190-F278 HydrophobicContact CD2-CZ 4.47Å; W190-F278 AromaticContact CE3-CE2 3.95Å; W190-F278 HydrophobicContact CE3-CE2 3.95Å; W190-F278 HydrophobicContact CE3-CZ 4.49Å; W190-F278 HydrophobicContact CG-CE2 4.04Å; W190-H323 AromaticContact CE3-CD2 3.83Å; W190-H323 AromaticContact CE3-NE2 3.76Å; W190-L326 HydrophobicContact CZ3-CB 3.98Å
191V93.8Very high85.7Confident0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-109.7131.5177.2-175.80000109.4L193 A203 V204 L271 A274 A276 V277 F278V191-L193 HydrophobicContact CG1-CD1 4.46Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; V191-L193 HydrophobicContact CG1-CG 4.05Å; V191-A203 WeakPolarHBondContact CA-O 3.41Å; V191-V204 HydrophobicContact CG1-CG2 4.48Å; V191-V204 HydrophobicContact CG2-CG1 4.27Å; V191-V204 HydrophobicContact CG2-CG2 4.18Å; V191-L271 HydrophobicContact CB-CD2 4.38Å; V191-L271 HydrophobicContact CG1-CD2 3.96Å; V191-L271 HydrophobicContact CG2-CD2 4.32Å; V191-A274 HydrophobicContact CG2-CB 3.77Å; V191-A276 PolarHBondContact N-O 2.94Å; V191-V277 HydrophobicContact CB-CG1 4.41Å; V191-V277 HydrophobicContact CB-CG2 4.4Å; V191-V277 CarbonylContact O-C 3.51Å; V191-V277 WeakPolarHBondContact O-CA 3.32Å; V191-F278 PolarHBondContact O-N 3.08Å
192I94.1Very high87Confident0 Ų032.1 Ų32.10%017%0.172CC..EExtended strand (participates in β ladder)trans-123.2121.6-178.8-52.5-175.2000109.3M194 G202 A203 F205 F278 V319 V322 H323I192-M194 HydrophobicContact CG2-CG 4.22Å; I192-G202 CarbonylContact O-C 3.6Å; I192-G202 VanDerWaalsContact O-CA 3.27Å; I192-G202 WeakPolarHBondContact O-CA 3.44Å; I192-A203 PolarHBondContact N-O 3.48Å; I192-A203 PolarHBondContact O-N 3.03Å; I192-F205 HydrophobicContact CB-CE2 4.4Å; I192-F205 HydrophobicContact CD1-CD2 4.14Å; I192-F205 HydrophobicContact CD1-CE2 3.74Å; I192-F205 HydrophobicContact CG1-CD2 4.24Å; I192-F205 HydrophobicContact CG1-CE2 4.05Å; I192-F278 HydrophobicContact CG1-CB 4.24Å; I192-F278 HydrophobicContact CG1-CD2 4.11Å; I192-F278 HydrophobicContact CG2-CB 4.37Å; I192-V319 HydrophobicContact CB-CG1 3.88Å; I192-V319 HydrophobicContact CG2-CG1 3.97Å; I192-V322 HydrophobicContact CD1-CG1 4.12Å; I192-V322 HydrophobicContact CG2-CG1 4.04Å; I192-H323 HydrophobicContact CD1-CB 3.72Å
193L93.9Very high88.4Confident0 Ų026.9 Ų26.90%015%0.149CC..EExtended strand (participates in β ladder)trans-124114.2-173.4-57.8175000110.5V191 F200 L264 W267 V277 F278 V279 R280 F289 L297V191-L193 HydrophobicContact CG1-CD1 4.46Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; V191-L193 HydrophobicContact CG1-CG 4.05Å; L193-F200 HydrophobicContact CD2-CE2 4.49Å; L193-F200 HydrophobicContact CD2-CZ 4.1Å; L193-L264 HydrophobicContact CD1-CD2 3.79Å; L193-L264 HydrophobicContact CD2-CD2 4.12Å; L193-W267 HydrophobicContact CD2-CZ3 4.35Å; L193-V277 HydrophobicContact CD1-CG1 4.03Å; L193-F278 PolarHBondContact N-O 3.34Å; L193-V279 HydrophobicContact CD1-CG2 4.36Å; L193-R280 PolarHBondContact O-N 3.34Å; L193-F289 HydrophobicContact CB-CE1 4.05Å; L193-F289 HydrophobicContact CB-CZ 4.2Å; L193-F289 HydrophobicContact CD1-CD1 4.25Å; L193-F289 HydrophobicContact CD1-CE1 3.89Å; L193-F289 HydrophobicContact CG-CE1 4.5Å; L193-L297 HydrophobicContact CD1-CD1 4.04Å
194M94Very high89.5Confident3 Ų322.5 Ų22.52%0.01512%0.122CC..EExtended strand (participates in β ladder)trans-122.1129.6-174.9-59.2-172.765.100112I192 F200 A201 R280 T311 A314 E318 V319 V322I192-M194 HydrophobicContact CG2-CG 4.22Å; M194-F200 WeakPolarHBondContact O-CA 3.41Å; M194-A201 PolarHBondContact N-O 3.18Å; M194-A201 PolarHBondContact O-N 2.86Å; M194-R280 HydrophobicContact CE-CG 4.42Å; M194-R280 HydrophobicContact CG-CB 4.19Å; M194-T311 HydrophobicContact CE-CG2 3.7Å; M194-A314 HydrophobicContact CB-CB 3.85Å; M194-E318 HydrophobicContact CE-CG 3.73Å; M194-E318 HydrophobicContact SD-CG 4.19Å; M194-V319 HydrophobicContact CB-CG2 4.47Å; M194-V319 HydrophobicContact CG-CG2 4.01Å; M194-V319 HydrophobicContact SD-CB 4.44Å; M194-V319 HydrophobicContact SD-CG2 3.59Å; M194-V319 VanDerWaalsContact SD-CG2 3.59Å; M194-V322 HydrophobicContact CE-CG2 4.32Å; M194-V322 HydrophobicContact SD-CG2 4.08Å
195T91.3Very high90.3Very high8 Ų822.4 Ų22.45%0.04912%0.121CC..EExtended strand (participates in β ladder)trans-130.6147.3174.675.70000112.4H199 F200 I260 R280 P282 N285 F289T195-H199 WeakPolarHBondContact CA-O 3.32Å; T195-F200 HydrophobicContact CG2-CD2 3.93Å; T195-I260 HydrophobicContact CG2-CD1 4.34Å; T195-R280 PolarHBondContact N-O 3.2Å; T195-P282 VanDerWaalsContact O-CD 3.31Å; T195-P282 WeakPolarHBondContact O-CD 3.44Å; T195-N285 WeakPolarHBondContact CB-ND2 3.37Å; T195-N285 PolarHBondContact OG1-ND2 3.1Å; T195-F289 HydrophobicContact CG2-CE2 3.65Å; T195-F289 HydrophobicContact CG2-CZ 3.56Å
196G87.6Confident90.9Very high23 Ų2321.9 Ų21.924%0.23712%0.117CC..EExtended strand (participates in β ladder)trans177.3131170.300000113.8G198 H199G196-G198 PolarHBondContact O-N 2.74Å; G196-H199 PolarHBondContact N-O 3.43Å; G196-H199 PolarHBondContact O-N 3.5Å
197G83Confident91.3Very high26 Ų2616.7 Ų16.727%0.2689%0.093SC..THydrogen-bonded Turntrans58.830.2171.400000115.4
198G86.4Confident91.4Very high3 Ų314.5 Ų14.53%0.0318%0.083CC..THydrogen-bonded Turntrans96.3-8.1-178.500000115.1G196 H217 R218 T220G196-G198 PolarHBondContact O-N 2.74Å; G198-H217 WeakPolarHBondContact O-CA 3.45Å; G198-H217 PolarHBondContact O-CD2 3.16Å; G198-R218 VanDerWaalsContact CA-O 3.28Å; G198-R218 WeakPolarHBondContact CA-O 3.44Å; G198-R218 PolarHBondContact O-N 2.85Å; G198-T220 WeakPolarHBondContact CA-OG1 3.45Å; G198-T220 PolarHBondContact N-OG1 2.89Å; G198-T220 VanDerWaalsContact N-OG1 3.16Å
199H91.4Very high91.5Very high23 Ų2320.8 Ų20.811%0.10611%0.112CC..EExtended strand (participates in β ladder)trans-90.6139.4173.1-63.1-89.4000111.5T195 G196 H217 R313 A314T195-H199 WeakPolarHBondContact CA-O 3.32Å; G196-H199 PolarHBondContact N-O 3.43Å; G196-H199 PolarHBondContact O-N 3.5Å; H199-H217 AromaticContact CD2-CD2 3.61Å; H199-H217 AromaticContact CE1-CD2 3.21Å; H199-H217 PolarHBondContact CE1-CD2 3.27Å; H199-H217 AromaticContact CE1-CG 3.55Å; H199-H217 AromaticContact CE1-NE2 3.88Å; H199-H217 AromaticContact CG-CD2 3.71Å; H199-H217 AromaticContact ND1-CD2 3.49Å; H199-H217 PolarHBondContact ND1-CD2 3.15Å; H199-H217 AromaticContact ND1-CG 3.71Å; H199-H217 AromaticContact NE2-CD2 3.33Å; H199-H217 PolarHBondContact NE2-CD2 3.11Å; H199-H217 VanDerWaalsContact NE2-CD2 3.33Å; H199-H217 AromaticContact NE2-NE2 3.73Å; H199-R313 PolarHBondContact NE2-NE 3.3Å; H199-R313 PolarHBondContact NE2-NH1 3.46Å; H199-R313 VanDerWaalsContact NE2-NH1 3.17Å; H199-R313 PolarHBondContact NE2-NH2 2.82Å; H199-A314 HydrophobicContact CB-CB 4.03Å
200F94.6Very high91.6Very high1 Ų122.5 Ų22.50%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-118.2139.1162.2175.4-91.3000109.6L193 M194 T195 G202 T215 F216 I260 L263 F289L193-F200 HydrophobicContact CD2-CE2 4.49Å; L193-F200 HydrophobicContact CD2-CZ 4.1Å; M194-F200 WeakPolarHBondContact O-CA 3.41Å; T195-F200 HydrophobicContact CG2-CD2 3.93Å; F200-G202 VanDerWaalsContact CE1-N 3.29Å; F200-T215 WeakPolarHBondContact O-CA 3.32Å; F200-F216 HydrophobicContact CB-CD2 4.01Å; F200-F216 HydrophobicContact CB-CE1 4.38Å; F200-F216 HydrophobicContact CB-CE2 3.75Å; F200-F216 HydrophobicContact CB-CG 4.44Å; F200-F216 HydrophobicContact CB-CZ 3.96Å; F200-F216 AromaticContact CD1-CD1 3.91Å; F200-F216 HydrophobicContact CD1-CD1 3.91Å; F200-F216 AromaticContact CD1-CE1 3.38Å; F200-F216 HydrophobicContact CD1-CE1 3.38Å; F200-F216 HydrophobicContact CD1-CE2 4.24Å; F200-F216 AromaticContact CD1-CZ 3.58Å; F200-F216 HydrophobicContact CD1-CZ 3.58Å; F200-F216 AromaticContact CE1-CE1 3.9Å; F200-F216 HydrophobicContact CE1-CE1 3.9Å; F200-F216 HydrophobicContact CE1-CZ 4.22Å; F200-F216 HydrophobicContact CG-CE1 4.06Å; F200-F216 HydrophobicContact CG-CE2 4.1Å; F200-F216 AromaticContact CG-CZ 3.78Å; F200-F216 HydrophobicContact CG-CZ 3.78Å; F200-F216 PolarHBondContact N-O 3.3Å; F200-F216 PolarHBondContact O-N 2.91Å; F200-F216 VanDerWaalsContact O-N 3.11Å; F200-I260 HydrophobicContact CB-CD1 4.09Å; F200-I260 HydrophobicContact CB-CG1 4.21Å; F200-I260 HydrophobicContact CD2-CB 4.45Å; F200-I260 HydrophobicContact CD2-CD1 3.52Å; F200-I260 HydrophobicContact CD2-CG1 3.47Å; F200-I260 VanDerWaalsContact CD2-CG1 3.47Å; F200-I260 HydrophobicContact CD2-CG2 4.17Å; F200-I260 HydrophobicContact CE2-CD1 4.3Å; F200-I260 HydrophobicContact CE2-CG1 3.97Å; F200-I260 HydrophobicContact CE2-CG2 3.84Å; F200-I260 HydrophobicContact CG-CD1 4.08Å; F200-I260 HydrophobicContact CG-CG1 3.86Å; F200-L263 HydrophobicContact CD1-CD2 4.42Å; F200-L263 HydrophobicContact CE1-CD2 3.47Å; F200-L263 VanDerWaalsContact CE1-CD2 3.47Å; F200-L263 HydrophobicContact CZ-CD2 3.84Å; F200-F289 HydrophobicContact CE2-CE1 4.47Å; F200-F289 HydrophobicContact CE2-CZ 4.37Å
201A95.8Very high91.6Very high0 Ų025.7 Ų25.70%014%0.139CC..EExtended strand (participates in β ladder)trans-140.5121.116500000109.3M194 T215 A314 V319M194-A201 PolarHBondContact N-O 3.18Å; M194-A201 PolarHBondContact O-N 2.86Å; A201-T215 HydrophobicContact CB-CG2 3.78Å; A201-A314 HydrophobicContact CB-CB 3.97Å; A201-V319 HydrophobicContact CB-CG2 3.64Å
202G95.6Very high91.5Very high1 Ų129.9 Ų29.91%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-121.9146.117300000110.5I192 F200 H213 K214I192-G202 CarbonylContact O-C 3.6Å; I192-G202 VanDerWaalsContact O-CA 3.27Å; I192-G202 WeakPolarHBondContact O-CA 3.44Å; F200-G202 VanDerWaalsContact CE1-N 3.29Å; G202-H213 WeakPolarHBondContact O-CA 3.44Å; G202-K214 PolarHBondContact N-O 3.45Å; G202-K214 PolarHBondContact O-N 3Å
203A96.2Very high91.5Very high0 Ų034.3 Ų34.30%018%0.178CC..EExtended strand (participates in β ladder)trans-148151.9165.200000112.1V191 I192 F205 H212 H213 F316 V319V191-A203 WeakPolarHBondContact CA-O 3.41Å; I192-A203 PolarHBondContact N-O 3.48Å; I192-A203 PolarHBondContact O-N 3.03Å; A203-F205 HydrophobicContact CB-CD2 4.3Å; A203-F205 HydrophobicContact CB-CE2 3.68Å; A203-F205 HydrophobicContact CB-CZ 4.11Å; A203-H212 CarbonylContact C-O 3.59Å; A203-H212 VanDerWaalsContact CA-O 3.26Å; A203-H212 WeakPolarHBondContact CA-O 3.48Å; A203-H213 HydrophobicContact CB-CB 3.87Å; A203-F316 HydrophobicContact CB-CE2 4.36Å; A203-V319 HydrophobicContact CB-CG1 3.7Å
204V94.9Very high91.6Very high0 Ų039.8 Ų39.80%020%0.202CC..EExtended strand (participates in β ladder)trans-109.2122.7171.9-1760000106.9V189 V191 L211 H212 W267 H270V189-V204 HydrophobicContact CG1-CG1 3.74Å; V191-V204 HydrophobicContact CG1-CG2 4.48Å; V191-V204 HydrophobicContact CG2-CG1 4.27Å; V191-V204 HydrophobicContact CG2-CG2 4.18Å; V204-L211 HydrophobicContact CB-CB 4.45Å; V204-L211 HydrophobicContact CG1-CB 4.28Å; V204-L211 HydrophobicContact CG1-CD1 4.18Å; V204-L211 PolarHBondContact O-N 3Å; V204-H212 HydrophobicContact CB-CB 4.45Å; V204-H212 HydrophobicContact CG2-CB 4.44Å; V204-H212 PolarHBondContact N-O 3.24Å; V204-H212 PolarHBondContact O-N 3Å; V204-W267 HydrophobicContact CG2-CD2 4.11Å; V204-W267 HydrophobicContact CG2-CE3 3.82Å; V204-W267 HydrophobicContact CG2-CH2 4.27Å; V204-W267 HydrophobicContact CG2-CZ3 3.91Å; V204-H270 HydrophobicContact CG1-CB 4.03Å; V204-H270 HydrophobicContact CG2-CB 4.06Å
205F93.1Very high91.6Very high4 Ų443 Ų432%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-111.3145.5176.9-62.7-98.6000110V189 W190 I192 A203 Q209 V210 V319 H323V189-F205 CarbonylContact C-O 3.57Å; V189-F205 VanDerWaalsContact CA-O 3.24Å; V189-F205 WeakPolarHBondContact CA-O 3.38Å; W190-F205 PolarHBondContact N-O 2.92Å; W190-F205 PolarHBondContact O-N 2.85Å; I192-F205 HydrophobicContact CB-CE2 4.4Å; I192-F205 HydrophobicContact CD1-CD2 4.14Å; I192-F205 HydrophobicContact CD1-CE2 3.74Å; I192-F205 HydrophobicContact CG1-CD2 4.24Å; I192-F205 HydrophobicContact CG1-CE2 4.05Å; A203-F205 HydrophobicContact CB-CD2 4.3Å; A203-F205 HydrophobicContact CB-CE2 3.68Å; A203-F205 HydrophobicContact CB-CZ 4.11Å; F205-Q209 CarbonylContact C-O 3.57Å; F205-Q209 WeakPolarHBondContact CA-O 3.32Å; F205-V210 HydrophobicContact CD1-CG2 3.76Å; F205-V210 HydrophobicContact CE1-CG2 3.56Å; F205-V210 HydrophobicContact CZ-CG2 4.4Å; F205-V319 HydrophobicContact CE2-CG1 3.78Å; F205-V319 HydrophobicContact CZ-CG1 3.96Å; F205-H323 HydrophobicContact CD1-CB 4.22Å; F205-H323 AromaticContact CD1-CD2 3.71Å; F205-H323 AromaticContact CD1-CE1 3.84Å; F205-H323 AromaticContact CD1-CG 3.56Å; F205-H323 AromaticContact CD1-ND1 3.64Å; F205-H323 AromaticContact CD1-NE2 3.92Å; F205-H323 HydrophobicContact CD2-CB 4.39Å; F205-H323 AromaticContact CD2-CD2 3.72Å; F205-H323 HydrophobicContact CE1-CB 3.69Å; F205-H323 AromaticContact CE1-CG 3.52Å; F205-H323 AromaticContact CE1-ND1 3.77Å; F205-H323 HydrophobicContact CE2-CB 3.89Å; F205-H323 AromaticContact CG-CD2 3.51Å; F205-H323 AromaticContact CG-CG 3.83Å; F205-H323 AromaticContact CG-NE2 3.8Å; F205-H323 HydrophobicContact CZ-CB 3.51Å; F205-H323 AromaticContact CZ-CG 3.79Å
206E91.6Very high91.7Very high61 Ų6144.9 Ų44.929%0.28523%0.23SC..EExtended strand (participates in β ladder)trans-118.3108.7164.3-177.1179.1-171.400108K187 K208 Q209 L211K187-E206 WeakPolarHBondContact CA-OE1 3.5Å; E206-K208 PolarHBondContact O-N 2.87Å; E206-Q209 PolarHBondContact N-O 3.22Å; E206-Q209 PolarHBondContact O-N 2.98Å; E206-L211 HydrophobicContact CB-CD1 3.93Å; E206-L211 HydrophobicContact CB-CD2 4.18Å; E206-L211 HydrophobicContact CB-CG 3.92Å
207G86.7Confident91.9Very high1 Ų147 Ų471%0.0123%0.233CC..THydrogen-bonded Turntrans54.2-113.8-168.900000110.8F11 Q186 T188 H323F11-G207 WeakPolarHBondContact CE2-O 3.39Å; F11-G207 WeakPolarHBondContact CZ-O 3.34Å; Q186-G207 WeakPolarHBondContact O-CA 3.33Å; Q186-G207 PolarHBondContact O-N 3.35Å; T188-G207 PolarHBondContact O-N 3.25Å; G207-H323 PolarHBondContact O-CE1 3.48Å; G207-H323 PolarHBondContact O-NE2 2.94Å
208K85.6Confident92.1Very high118 Ų11848.6 Ų48.651%0.51323%0.231SC..THydrogen-bonded Turntrans-89.4-16.4176.7-68.5167.3179.6155.60114.4S9 F11 D12 E206S9-K208 WeakPolarHBondContact OG-CE 3.37Å; F11-K208 HydrophobicContact CD2-CG 4.21Å; D12-K208 IonicContact OD1-NZ 2.62Å; D12-K208 PolarHBondContact OD1-NZ 3.38Å; D12-K208 WeakPolarHBondContact OD2-CE 3.45Å; D12-K208 IonicContact OD2-NZ 3.05Å; D12-K208 PolarHBondContact OD2-NZ 3.38Å; E206-K208 PolarHBondContact O-N 2.87Å
209Q88.7Confident92Very high146 Ų14656.9 Ų56.968%0.68226%0.263SS*.EExtended strand (participates in β ladder)trans-86.7153.2-172.1-59-163.568.700111.5F205 E206F205-Q209 CarbonylContact C-O 3.57Å; F205-Q209 WeakPolarHBondContact CA-O 3.32Å; E206-Q209 PolarHBondContact N-O 3.22Å; E206-Q209 PolarHBondContact O-N 2.98Å
210V92.9Very high91.5Very high53 Ų5356 Ų5632%0.32126%0.259SS..EExtended strand (participates in β ladder)trans-101.2110.8174.9179.60000108.2F205 H213 F316F205-V210 HydrophobicContact CD1-CG2 3.76Å; F205-V210 HydrophobicContact CE1-CG2 3.56Å; F205-V210 HydrophobicContact CZ-CG2 4.4Å; V210-H213 HydrophobicContact CG1-CB 4.2Å; V210-F316 HydrophobicContact CG1-CE2 4.01Å; V210-F316 HydrophobicContact CG1-CZ 4.03Å; V210-F316 HydrophobicContact CG2-CE2 4.3Å; V210-F316 HydrophobicContact CG2-CZ 4.07Å
211L91.4Very high90.7Very high69 Ų6957.9 Ų57.936%0.36127%0.271SS..EExtended strand (participates in β ladder)trans-72.8-54174.3-64.9-177.8000110.2V204 E206V204-L211 HydrophobicContact CB-CB 4.45Å; V204-L211 HydrophobicContact CG1-CB 4.28Å; V204-L211 HydrophobicContact CG1-CD1 4.18Å; V204-L211 PolarHBondContact O-N 3Å; E206-L211 HydrophobicContact CB-CD1 3.93Å; E206-L211 HydrophobicContact CB-CD2 4.18Å; E206-L211 HydrophobicContact CB-CG 3.92Å
212H92.6Very high89.4Confident87 Ų8764 Ų6440%0.40329%0.294SS..EExtended strand (participates in β ladder)trans-142.5145.1-178.8-63.3-44.6000111.5A203 V204 W267 H270A203-H212 CarbonylContact C-O 3.59Å; A203-H212 VanDerWaalsContact CA-O 3.26Å; A203-H212 WeakPolarHBondContact CA-O 3.48Å; V204-H212 HydrophobicContact CB-CB 4.45Å; V204-H212 HydrophobicContact CG2-CB 4.44Å; V204-H212 PolarHBondContact N-O 3.24Å; V204-H212 PolarHBondContact O-N 3Å; H212-W267 HydrophobicContact CB-CZ2 3.95Å; H212-H270 AromaticContact CD2-CD2 3.82Å; H212-H270 AromaticContact CD2-CE1 3.55Å; H212-H270 AromaticContact CD2-NE2 3.22Å; H212-H270 PolarHBondContact CD2-NE2 2.8Å; H212-H270 AromaticContact NE2-CE1 3.57Å; H212-H270 AromaticContact NE2-NE2 3.42Å; H212-H270 PolarHBondContact NE2-NE2 2.88Å
213H94.9Very high87Confident93 Ų9368.2 Ų68.243%0.43133%0.328SS..EExtended strand (participates in β ladder)trans-139.7149.2169.468.591.2000111.4G202 A203 V210 F316G202-H213 WeakPolarHBondContact O-CA 3.44Å; A203-H213 HydrophobicContact CB-CB 3.87Å; V210-H213 HydrophobicContact CG1-CB 4.2Å; H213-F316 HydrophobicContact CB-CD2 3.62Å; H213-F316 HydrophobicContact CB-CE2 3.46Å; H213-F316 VanDerWaalsContact CB-CE2 3.46Å; H213-F316 HydrophobicContact CB-CG 4.49Å; H213-F316 HydrophobicContact CB-CZ 4.22Å; H213-F316 AromaticContact CD2-CE2 3.89Å; H213-F316 AromaticContact CD2-CZ 3.72Å; H213-F316 AromaticContact CG-CD2 3.75Å; H213-F316 AromaticContact CG-CE2 3.57Å; H213-F316 AromaticContact CG-CZ 3.85Å; H213-F316 AromaticContact ND1-CD2 3.95Å; H213-F316 AromaticContact ND1-CG 3.97Å
214K95.2Very high84.8Confident116 Ų11678.6 Ų78.650%0.50437%0.373SS..EExtended strand (participates in β ladder)trans-143.8130.7173.1-152.975.2175.5-175.30110.4G202 F216 L263 W267G202-K214 PolarHBondContact N-O 3.45Å; G202-K214 PolarHBondContact O-N 3Å; K214-F216 HydrophobicContact CG-CD1 4.19Å; K214-F216 HydrophobicContact CG-CE1 4.35Å; K214-L263 HydrophobicContact CB-CD1 4.19Å; K214-L263 HydrophobicContact CB-CD2 3.71Å; K214-L263 HydrophobicContact CG-CD1 4.2Å; K214-L263 HydrophobicContact CG-CD2 4.07Å; K214-W267 HydrophobicContact CB-CH2 4.32Å; K214-W267 HydrophobicContact CB-CZ2 4.12Å
215T94.7Very high83Confident69 Ų6987.2 Ų87.242%0.42341%0.406SS..EExtended strand (participates in β ladder)trans-132.3132.7175.759.20000109.8F200 A201 F316F200-T215 WeakPolarHBondContact O-CA 3.32Å; A201-T215 HydrophobicContact CB-CG2 3.78Å; T215-F316 HydrophobicContact CG2-CB 3.86Å
216F93.3Very high81.4Confident49 Ų4989.9 Ų89.922%0.21544%0.435CS..EExtended strand (participates in β ladder)trans-148.4164174.549.3-92.9000110.8F200 K214 L256 D259 I260 L263F200-F216 HydrophobicContact CB-CD2 4.01Å; F200-F216 HydrophobicContact CB-CE1 4.38Å; F200-F216 HydrophobicContact CB-CE2 3.75Å; F200-F216 HydrophobicContact CB-CG 4.44Å; F200-F216 HydrophobicContact CB-CZ 3.96Å; F200-F216 AromaticContact CD1-CD1 3.91Å; F200-F216 HydrophobicContact CD1-CD1 3.91Å; F200-F216 AromaticContact CD1-CE1 3.38Å; F200-F216 HydrophobicContact CD1-CE1 3.38Å; F200-F216 HydrophobicContact CD1-CE2 4.24Å; F200-F216 AromaticContact CD1-CZ 3.58Å; F200-F216 HydrophobicContact CD1-CZ 3.58Å; F200-F216 AromaticContact CE1-CE1 3.9Å; F200-F216 HydrophobicContact CE1-CE1 3.9Å; F200-F216 HydrophobicContact CE1-CZ 4.22Å; F200-F216 HydrophobicContact CG-CE1 4.06Å; F200-F216 HydrophobicContact CG-CE2 4.1Å; F200-F216 AromaticContact CG-CZ 3.78Å; F200-F216 HydrophobicContact CG-CZ 3.78Å; F200-F216 PolarHBondContact N-O 3.3Å; F200-F216 PolarHBondContact O-N 2.91Å; F200-F216 VanDerWaalsContact O-N 3.11Å; K214-F216 HydrophobicContact CG-CD1 4.19Å; K214-F216 HydrophobicContact CG-CE1 4.35Å; F216-L256 HydrophobicContact CD2-CD1 3.7Å; F216-L256 HydrophobicContact CE2-CD1 3.66Å; F216-D259 HydrophobicContact CD2-CB 4.28Å; F216-D259 HydrophobicContact CE2-CB 3.52Å; F216-D259 HydrophobicContact CZ-CB 3.72Å; F216-I260 HydrophobicContact CE2-CG1 3.77Å; F216-I260 HydrophobicContact CZ-CG1 3.59Å; F216-L263 HydrophobicContact CE1-CD2 4.04Å
217H90.8Very high80.2Confident68 Ų6890.3 Ų90.332%0.31544%0.441SS..EExtended strand (participates in β ladder)trans-146125.5-175.5163.2-99.7000110.9G198 H199 Y219G198-H217 WeakPolarHBondContact O-CA 3.45Å; G198-H217 PolarHBondContact O-CD2 3.16Å; H199-H217 AromaticContact CD2-CD2 3.61Å; H199-H217 AromaticContact CE1-CD2 3.21Å; H199-H217 PolarHBondContact CE1-CD2 3.27Å; H199-H217 AromaticContact CE1-CG 3.55Å; H199-H217 AromaticContact CE1-NE2 3.88Å; H199-H217 AromaticContact CG-CD2 3.71Å; H199-H217 AromaticContact ND1-CD2 3.49Å; H199-H217 PolarHBondContact ND1-CD2 3.15Å; H199-H217 AromaticContact ND1-CG 3.71Å; H199-H217 AromaticContact NE2-CD2 3.33Å; H199-H217 PolarHBondContact NE2-CD2 3.11Å; H199-H217 VanDerWaalsContact NE2-CD2 3.33Å; H199-H217 AromaticContact NE2-NE2 3.73Å; H217-Y219 AromaticContact CE1-CD1 3.63Å; H217-Y219 AromaticContact CE1-CD2 3.8Å; H217-Y219 AromaticContact CE1-CE1 3.61Å; H217-Y219 AromaticContact CE1-CE2 3.77Å; H217-Y219 AromaticContact CE1-CG 3.73Å; H217-Y219 AromaticContact CE1-CZ 3.68Å
218R88.6Confident79.2Confident59 Ų5990.5 Ų90.522%0.22344%0.443CS..  trans-112.9141.8167.7-63.9-168.1-178.1-112.66.3109.8G198 T220 N252 A255 L256 D259G198-R218 VanDerWaalsContact CA-O 3.28Å; G198-R218 WeakPolarHBondContact CA-O 3.44Å; G198-R218 PolarHBondContact O-N 2.85Å; R218-T220 PolarHBondContact O-N 3.47Å; R218-N252 HydrophobicContact CB-CB 4.03Å; R218-N252 WeakPolarHBondContact CD-O 3.46Å; R218-A255 VanDerWaalsContact CZ-CB 3.46Å; R218-L256 HydrophobicContact CB-CB 4.48Å; R218-L256 HydrophobicContact CB-CD1 4.27Å; R218-L256 HydrophobicContact CG-CD1 4.17Å; R218-D259 IonicContact CZ-OD1 2.66Å; R218-D259 IonicContact CZ-OD2 3.06Å; R218-D259 IonicContact NE-OD1 2.86Å; R218-D259 IonicContact NE-OD2 3.32Å; R218-D259 PolarHBondContact NE-OD2 2.84Å; R218-D259 IonicContact NH2-OD1 3.51Å; R218-D259 PolarHBondContact NH2-OD1 3.46Å; R218-D259 IonicContact NH2-OD2 2.75Å; R218-D259 PolarHBondContact NH2-OD2 3.32Å
219Y82.4Confident78.6Confident177 Ų17785.5 Ų85.569%0.69442%0.421SS*.  trans-74.585.8-178.4-70.2-90.1000111.4H217 N252H217-Y219 AromaticContact CE1-CD1 3.63Å; H217-Y219 AromaticContact CE1-CD2 3.8Å; H217-Y219 AromaticContact CE1-CE1 3.61Å; H217-Y219 AromaticContact CE1-CE2 3.77Å; H217-Y219 AromaticContact CE1-CG 3.73Å; H217-Y219 AromaticContact CE1-CZ 3.68Å; Y219-N252 PolarHBondContact O-ND2 2.8Å
220T82.7Confident77.6Confident5 Ų580.1 Ų80.13%0.03141%0.405CS..  trans-96.4-21.1-18064.10000114.2G198 R218 R249 N252 E253 L256G198-T220 WeakPolarHBondContact CA-OG1 3.45Å; G198-T220 PolarHBondContact N-OG1 2.89Å; G198-T220 VanDerWaalsContact N-OG1 3.16Å; R218-T220 PolarHBondContact O-N 3.47Å; T220-R249 VanDerWaalsContact O-CD 3.22Å; T220-R249 WeakPolarHBondContact O-CD 3.26Å; T220-N252 HydrophobicContact CG2-CB 4.2Å; T220-E253 VanDerWaalsContact CB-CG 3.47Å; T220-E253 HydrophobicContact CG2-CB 4.27Å; T220-E253 HydrophobicContact CG2-CG 3.4Å; T220-E253 VanDerWaalsContact CG2-CG 3.4Å; T220-L256 HydrophobicContact CG2-CD2 4.39Å
221V77.4Confident76.5Confident40 Ų4080.1 Ų80.124%0.24240%0.403CS..BIsolated β-bridgetrans-95.3151.8-175.1171.70000112G226 R249V221-G226 VanDerWaalsContact CG1-C 3.47Å; V221-G226 WeakPolarHBondContact CG1-O 3.35Å; V221-R249 PolarHBondContact O-NE 2.88Å
222R67.4Low75.4Confident128 Ų12881.3 Ų81.348%0.48340%0.403SS..PPolyproline II helixtrans-84.7120.9171.1-163.3174.3-164.5175.25.7111.2R225 G226R222-R225 PolarHBondContact O-N 2.88Å; R222-R225 VanDerWaalsContact O-N 3.11Å; R222-G226 PolarHBondContact O-N 3.18Å
223A45.3Very low74.4Confident89 Ų8978.2 Ų78.274%0.73639%0.39SS*.THydrogen-bonded Turntrans-50.7141172.900000111.6R225A223-R225 PolarHBondContact O-N 3.35Å
224K51.2Low73.1Confident218 Ų21877.3 Ų77.395%0.94839%0.393SS*.THydrogen-bonded Turntrans61.37.4-174.4-52.6-169.7177.6-171.80117
225R57Low71.8Confident182 Ų18278.3 Ų78.369%0.68740%0.4SS*.THydrogen-bonded Turntrans-133.4-9.9171.6-70.5-162.2-177.5-1583.3116.7R222 A223 T227R222-R225 PolarHBondContact O-N 2.88Å; R222-R225 VanDerWaalsContact O-N 3.11Å; A223-R225 PolarHBondContact O-N 3.35Å; R225-T227 PolarHBondContact O-N 2.91Å
226G58.6Low70.3Confident60 Ų6078.2 Ų78.262%0.61940%0.397SS*.  trans74.9-21.8161.800000117.9V221 R222V221-G226 VanDerWaalsContact CG1-C 3.47Å; V221-G226 WeakPolarHBondContact CG1-O 3.35Å; R222-G226 PolarHBondContact O-N 3.18Å
227T65.7Low68.6Low69 Ų6986.1 Ų86.142%0.42343%0.425SS..  trans-81.1146.4178490000113.4R225R225-T227 PolarHBondContact O-N 2.91Å
228A67Low67Low6 Ų687.7 Ų87.75%0.0544%0.444CS..BIsolated β-bridgetrans-68.4155.617100000111.1Y284A228-Y284 HydrophobicContact CB-CE2 4.01Å
229Q72.8Confident65.6Low12 Ų1292.1 Ų92.16%0.05647%0.467CS..Hα-helixtrans-76.4-45.9-175.4-17862.158.700111.2L231 R232 D233 R249 R250 E253Q229-L231 VanDerWaalsContact C-N 3.33Å; Q229-L231 PolarHBondContact O-N 3.28Å; Q229-R232 WeakPolarHBondContact O-CB 3.48Å; Q229-R232 PolarHBondContact O-N 3.16Å; Q229-D233 WeakPolarHBondContact CG-OD2 3.42Å; Q229-D233 VanDerWaalsContact NE2-CG 3.32Å; Q229-D233 PolarHBondContact NE2-OD1 3.44Å; Q229-D233 PolarHBondContact NE2-OD2 2.98Å; Q229-D233 PolarHBondContact O-N 3Å; Q229-R249 HydrophobicContact CB-CB 3.61Å; Q229-R249 HydrophobicContact CB-CG 4.43Å; Q229-R249 HydrophobicContact CG-CB 3.83Å; Q229-R250 HydrophobicContact CG-CG 4.08Å; Q229-E253 PolarHBondContact N-OE1 3.37Å
230G67.8Low64.6Low34 Ų3486.3 Ų86.335%0.35145%0.449SS..Hα-helixtrans-55.6-41.417700000114R232 D233 S234 E253G230-R232 VanDerWaalsContact C-N 3.33Å; G230-R232 PolarHBondContact O-N 2.69Å; G230-D233 PolarHBondContact O-N 3.24Å; G230-S234 PolarHBondContact O-N 3.15Å; G230-S234 PolarHBondContact O-OG 3.32Å; G230-E253 PolarHBondContact N-OE1 3.32Å; G230-E253 PolarHBondContact N-OE2 3.24Å
231L69.5Low63.6Low53 Ų5387.9 Ų87.928%0.27746%0.463SS..Hα-helixtrans-61.5-40.8175.8-177.965.3000111.9Q229 S234 Q235 Y284Q229-L231 VanDerWaalsContact C-N 3.33Å; Q229-L231 PolarHBondContact O-N 3.28Å; L231-S234 WeakPolarHBondContact CA-OG 3.33Å; L231-S234 PolarHBondContact O-N 3.09Å; L231-S234 PolarHBondContact O-OG 2.97Å; L231-Q235 WeakPolarHBondContact O-CG 3.42Å; L231-Q235 PolarHBondContact O-N 3.36Å; L231-Q235 VanDerWaalsContact O-N 3.16Å; L231-Y284 HydrophobicContact CD1-CD1 4.48Å; L231-Y284 HydrophobicContact CD2-CD1 4.18Å; L231-Y284 HydrophobicContact CD2-CE1 4.36Å
232R69.3Low63.4Low93 Ų9395 Ų9535%0.35149%0.491SS..Hα-helixtrans-69-38.4176.9-172.6-174.8-179.899.311.2111.8Q229 G230 S234 Q235 N236Q229-R232 WeakPolarHBondContact O-CB 3.48Å; Q229-R232 PolarHBondContact O-N 3.16Å; G230-R232 VanDerWaalsContact C-N 3.33Å; G230-R232 PolarHBondContact O-N 2.69Å; R232-S234 VanDerWaalsContact C-N 3.33Å; R232-Q235 PolarHBondContact O-N 2.97Å; R232-N236 PolarHBondContact O-N 3.37Å
233D70Confident63.9Low23 Ų2391.8 Ų91.812%0.12349%0.488CS..Hα-helixtrans-71-28.4177.4-70.3-48.9000112.1Q229 G230 T240 R250Q229-D233 WeakPolarHBondContact CG-OD2 3.42Å; Q229-D233 VanDerWaalsContact NE2-CG 3.32Å; Q229-D233 PolarHBondContact NE2-OD1 3.44Å; Q229-D233 PolarHBondContact NE2-OD2 2.98Å; Q229-D233 PolarHBondContact O-N 3Å; G230-D233 PolarHBondContact O-N 3.24Å; D233-T240 HydrophobicContact CB-CG2 4.43Å; D233-R250 IonicContact OD1-CZ 3.24Å; D233-R250 IonicContact OD1-NE 3.69Å; D233-R250 IonicContact OD1-NH2 3.66Å; D233-R250 PolarHBondContact OD1-NH2 3.45Å; D233-R250 IonicContact OD2-CZ 3.63Å; D233-R250 VanDerWaalsContact OD2-CZ 3.32Å; D233-R250 IonicContact OD2-NE 3.72Å; D233-R250 PolarHBondContact OD2-NE 2.79Å; D233-R250 IonicContact OD2-NH2 3.77Å; D233-R250 PolarHBondContact OD2-NH2 2.89Å
234S67.8Low65.4Low73 Ų7391.7 Ų91.751%0.5149%0.487SS..Hα-helixtrans-71.4-30.8169.960.70000113.6G230 L231 R232G230-S234 PolarHBondContact O-N 3.15Å; G230-S234 PolarHBondContact O-OG 3.32Å; L231-S234 WeakPolarHBondContact CA-OG 3.33Å; L231-S234 PolarHBondContact O-N 3.09Å; L231-S234 PolarHBondContact O-OG 2.97Å; R232-S234 VanDerWaalsContact C-N 3.33Å
235Q69.4Low66.8Low138 Ų13883 Ų8365%0.64546%0.46SS*.Hα-helixtrans-77.3-44.4176.2-72.9175.2-43.200112.1L231 R232 R237L231-Q235 WeakPolarHBondContact O-CG 3.42Å; L231-Q235 PolarHBondContact O-N 3.36Å; L231-Q235 VanDerWaalsContact O-N 3.16Å; R232-Q235 PolarHBondContact O-N 2.97Å; Q235-R237 PolarHBondContact O-N 3.48Å
236N63.3Low67.8Low66 Ų6674.4 Ų74.435%0.35343%0.427SS..  trans-99.260.6-177.6-75.191.2000112.4R232 S238 H239 T240R232-N236 PolarHBondContact O-N 3.37Å; N236-S238 VanDerWaalsContact C-N 3.27Å; N236-S238 PolarHBondContact O-N 3.38Å; N236-H239 CarbonylContact O-C 3.55Å; N236-H239 PolarHBondContact O-N 2.88Å; N236-T240 PolarHBondContact O-N 3.43Å
237R57.1Low69.1Low216 Ų21675.2 Ų75.282%0.81542%0.42SS*.G310 helixtrans-51.6-41.8-179.2-67.4-173.8-179.8-174.10.5113.3Q235 H239Q235-R237 PolarHBondContact O-N 3.48Å; R237-H239 PolarHBondContact O-N 3.3Å
238S57.5Low70Confident100 Ų10076.7 Ų76.770%0.69943%0.425SS*.G310 helixtrans-68.8-28.8-179.954.20000114.5N236N236-S238 VanDerWaalsContact C-N 3.27Å; N236-S238 PolarHBondContact O-N 3.38Å
239H59.1Low70.9Confident153 Ų15378.7 Ų78.771%0.70843%0.431SS*.G310 helixtrans-135.856.1-171.6-73.7-19.3000112.4N236 R237 A241N236-H239 CarbonylContact O-C 3.55Å; N236-H239 PolarHBondContact O-N 2.88Å; R237-H239 PolarHBondContact O-N 3.3Å; H239-A241 PolarHBondContact O-N 2.83Å
240T61.6Low71.5Confident54 Ų5481.8 Ų81.833%0.33144%0.443SS..  trans-55.2122.8168.355.40000110.5D233 N236 K242D233-T240 HydrophobicContact CB-CG2 4.43Å; N236-T240 PolarHBondContact O-N 3.43Å; T240-K242 WeakPolarHBondContact O-CG 3.48Å; T240-K242 PolarHBondContact O-N 3.17Å
241A61Low72.5Confident38 Ų3886.3 Ų86.331%0.31445%0.45SS..  trans-73.7101-166.700000112.3H239 S243 A246H239-A241 PolarHBondContact O-N 2.83Å; A241-S243 PolarHBondContact O-N 2.91Å; A241-A246 HydrophobicContact CB-CB 4.22Å; A241-A246 VanDerWaalsContact O-CB 3.26Å; A241-A246 WeakPolarHBondContact O-CB 3.2Å
242K72.9Confident73.4Confident189 Ų18984.4 Ų84.482%0.82244%0.44SS*.  trans-73.118.5-176.1-54.8-174.2-177.41790115.3T240T240-K242 WeakPolarHBondContact O-CG 3.48Å; T240-K242 PolarHBondContact O-N 3.17Å
243S77.9Confident74.3Confident62 Ų6281.7 Ų81.743%0.43443%0.432SS..  trans-77.5143.8179.172.30000111.7A241 G245 A246 T247A241-S243 PolarHBondContact O-N 2.91Å; S243-G245 PolarHBondContact O-N 3.16Å; S243-G245 VanDerWaalsContact O-N 3.16Å; S243-A246 WeakPolarHBondContact O-CA 3.47Å; S243-A246 WeakPolarHBondContact O-CB 3.43Å; S243-A246 PolarHBondContact O-N 2.95Å; S243-A246 WeakPolarHBondContact OG-CB 3.43Å; S243-A246 PolarHBondContact OG-N 3.42Å; S243-T247 PolarHBondContact O-N 3.29Å; S243-T247 PolarHBondContact O-OG1 3.47Å
244A77.2Confident75.1Confident86 Ų8683.7 Ų83.771%0.71145%0.451SS*.Hα-helixtrans-53-40.217900000113.2A246 T247 L248A244-A246 PolarHBondContact O-N 3.48Å; A244-T247 PolarHBondContact O-N 3.34Å; A244-L248 WeakPolarHBondContact O-CB 3.23Å; A244-L248 PolarHBondContact O-N 3.42Å
245G81Confident76.2Confident36 Ų3680.9 Ų80.937%0.37143%0.432SS..Hα-helixtrans-73.40175.900000115.5S243 R249S243-G245 PolarHBondContact O-N 3.16Å; S243-G245 VanDerWaalsContact O-N 3.16Å; G245-R249 PolarHBondContact O-NH1 3.43Å; G245-R249 PolarHBondContact O-NH2 3.09Å
246A78.3Confident77.2Confident1 Ų174.6 Ų74.61%0.00840%0.403CS..Hα-helixtrans-103.6-41.7166.900000110.3A241 S243 A244 L248 R249 R250A241-A246 HydrophobicContact CB-CB 4.22Å; A241-A246 VanDerWaalsContact O-CB 3.26Å; A241-A246 WeakPolarHBondContact O-CB 3.2Å; S243-A246 WeakPolarHBondContact O-CA 3.47Å; S243-A246 WeakPolarHBondContact O-CB 3.43Å; S243-A246 PolarHBondContact O-N 2.95Å; S243-A246 WeakPolarHBondContact OG-CB 3.43Å; S243-A246 PolarHBondContact OG-N 3.42Å; A244-A246 PolarHBondContact O-N 3.48Å; A246-L248 VanDerWaalsContact C-N 3.29Å; A246-L248 PolarHBondContact O-N 3.36Å; A246-R249 WeakPolarHBondContact O-CA 3.48Å; A246-R249 WeakPolarHBondContact O-CB 3.44Å; A246-R249 PolarHBondContact O-N 2.61Å; A246-R250 PolarHBondContact O-N 3.1Å
247T84.2Confident78.4Confident77 Ų7773.4 Ų73.447%0.47240%0.398SS..Hα-helixtrans-53.7-45.6170.3-48.20000111.6S243 A244 R249 R250 Y251S243-T247 PolarHBondContact O-N 3.29Å; S243-T247 PolarHBondContact O-OG1 3.47Å; A244-T247 PolarHBondContact O-N 3.34Å; T247-R249 VanDerWaalsContact C-N 3.28Å; T247-R249 PolarHBondContact O-N 2.78Å; T247-R250 PolarHBondContact O-N 3.08Å; T247-Y251 PolarHBondContact O-N 2.72Å
248L84.7Confident79.9Confident101 Ų10168.6 Ų68.653%0.52938%0.383SS..Hα-helixtrans-62.1-32.3175.9-17663.2000112.9A244 A246 N252A244-L248 WeakPolarHBondContact O-CB 3.23Å; A244-L248 PolarHBondContact O-N 3.42Å; A246-L248 VanDerWaalsContact C-N 3.29Å; A246-L248 PolarHBondContact O-N 3.36Å; L248-N252 VanDerWaalsContact O-CB 3.3Å; L248-N252 WeakPolarHBondContact O-CB 3.42Å; L248-N252 PolarHBondContact O-N 2.95Å; L248-N252 PolarHBondContact O-ND2 3.47Å
249R86.1Confident81.5Confident47 Ų4766 Ų6618%0.17736%0.361CS..Hα-helixtrans-71.9-41.9174.1-73.9179.8-166.798.729.5111.6T220 V221 Q229 G245 A246 T247 Y251 N252 E253T220-R249 VanDerWaalsContact O-CD 3.22Å; T220-R249 WeakPolarHBondContact O-CD 3.26Å; V221-R249 PolarHBondContact O-NE 2.88Å; Q229-R249 HydrophobicContact CB-CB 3.61Å; Q229-R249 HydrophobicContact CB-CG 4.43Å; Q229-R249 HydrophobicContact CG-CB 3.83Å; G245-R249 PolarHBondContact O-NH1 3.43Å; G245-R249 PolarHBondContact O-NH2 3.09Å; A246-R249 WeakPolarHBondContact O-CA 3.48Å; A246-R249 WeakPolarHBondContact O-CB 3.44Å; A246-R249 PolarHBondContact O-N 2.61Å; T247-R249 VanDerWaalsContact C-N 3.28Å; T247-R249 PolarHBondContact O-N 2.78Å; R249-Y251 VanDerWaalsContact C-N 3.34Å; R249-Y251 PolarHBondContact O-N 3.43Å; R249-N252 CarbonylContact O-C 3.45Å; R249-N252 PolarHBondContact O-N 2.94Å; R249-E253 WeakPolarHBondContact O-CB 3.41Å; R249-E253 VanDerWaalsContact O-CG 3.3Å; R249-E253 WeakPolarHBondContact O-CG 3.47Å; R249-E253 PolarHBondContact O-N 3.04Å
250R85Confident83Confident77 Ų7758.7 Ų58.729%0.29133%0.328SS..Hα-helixtrans-61.7-42.3174.9-64.9-179-167.6146.26.8111.7Q229 D233 A246 T247 E253 A254Q229-R250 HydrophobicContact CG-CG 4.08Å; D233-R250 IonicContact OD1-CZ 3.24Å; D233-R250 IonicContact OD1-NE 3.69Å; D233-R250 IonicContact OD1-NH2 3.66Å; D233-R250 PolarHBondContact OD1-NH2 3.45Å; D233-R250 IonicContact OD2-CZ 3.63Å; D233-R250 VanDerWaalsContact OD2-CZ 3.32Å; D233-R250 IonicContact OD2-NE 3.72Å; D233-R250 PolarHBondContact OD2-NE 2.79Å; D233-R250 IonicContact OD2-NH2 3.77Å; D233-R250 PolarHBondContact OD2-NH2 2.89Å; A246-R250 PolarHBondContact O-N 3.1Å; T247-R250 PolarHBondContact O-N 3.08Å; R250-E253 PolarHBondContact O-N 3.29Å; R250-A254 WeakPolarHBondContact O-CB 3.3Å; R250-A254 PolarHBondContact O-N 2.91Å
251Y88.6Confident84.3Confident129 Ų12958.5 Ų58.551%0.50632%0.323SS..Hα-helixtrans-61.4-46.6172.8178.6-95.4000111.3T247 R249 E253 A254 A255T247-Y251 PolarHBondContact O-N 2.72Å; R249-Y251 VanDerWaalsContact C-N 3.34Å; R249-Y251 PolarHBondContact O-N 3.43Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 3.09Å; Y251-A254 PolarHBondContact O-N 3.15Å; Y251-A255 WeakPolarHBondContact O-CB 3.5Å; Y251-A255 PolarHBondContact O-N 2.89Å
252N89.7Confident85.7Confident14 Ų1459.9 Ų59.98%0.07533%0.325CS..Hα-helixtrans-62.5-33.2174.6-77.7-14000113.4R218 Y219 T220 L248 R249 L256R218-N252 HydrophobicContact CB-CB 4.03Å; R218-N252 WeakPolarHBondContact CD-O 3.46Å; Y219-N252 PolarHBondContact O-ND2 2.8Å; T220-N252 HydrophobicContact CG2-CB 4.2Å; L248-N252 VanDerWaalsContact O-CB 3.3Å; L248-N252 WeakPolarHBondContact O-CB 3.42Å; L248-N252 PolarHBondContact O-N 2.95Å; L248-N252 PolarHBondContact O-ND2 3.47Å; R249-N252 CarbonylContact O-C 3.45Å; R249-N252 PolarHBondContact O-N 2.94Å; N252-L256 WeakPolarHBondContact O-CB 3.35Å; N252-L256 PolarHBondContact O-N 3.47Å
253E87Confident86.6Confident36 Ų3651.9 Ų51.917%0.16829%0.291CS..Hα-helixtrans-70.7-48.7175.4-75.6171.2163.300110.6T220 Q229 G230 R249 R250 Y251 L256 V257T220-E253 VanDerWaalsContact CB-CG 3.47Å; T220-E253 HydrophobicContact CG2-CB 4.27Å; T220-E253 HydrophobicContact CG2-CG 3.4Å; T220-E253 VanDerWaalsContact CG2-CG 3.4Å; Q229-E253 PolarHBondContact N-OE1 3.37Å; G230-E253 PolarHBondContact N-OE1 3.32Å; G230-E253 PolarHBondContact N-OE2 3.24Å; R249-E253 WeakPolarHBondContact O-CB 3.41Å; R249-E253 VanDerWaalsContact O-CG 3.3Å; R249-E253 WeakPolarHBondContact O-CG 3.47Å; R249-E253 PolarHBondContact O-N 3.04Å; R250-E253 PolarHBondContact O-N 3.29Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-E253 PolarHBondContact O-N 3.09Å; E253-L256 WeakPolarHBondContact O-CB 3.46Å; E253-L256 PolarHBondContact O-N 3.26Å; E253-V257 WeakPolarHBondContact O-CG2 3.25Å; E253-V257 PolarHBondContact O-N 2.92Å
254A88Confident87.2Confident64 Ų6449 Ų4953%0.52927%0.271SS..Hα-helixtrans-64.4-41.6178.200000112.3R250 Y251 V257 K258R250-A254 WeakPolarHBondContact O-CB 3.3Å; R250-A254 PolarHBondContact O-N 2.91Å; Y251-A254 PolarHBondContact O-N 3.15Å; A254-V257 WeakPolarHBondContact O-CB 3.41Å; A254-V257 PolarHBondContact O-N 2.76Å; A254-K258 PolarHBondContact O-N 2.88Å
255A90.6Very high87.8Confident14 Ų1450.1 Ų50.112%0.11626%0.264CS..Hα-helixtrans-67.8-35.6175.100000111.8R218 Y251 V257 K258 D259R218-A255 VanDerWaalsContact CZ-CB 3.46Å; Y251-A255 WeakPolarHBondContact O-CB 3.5Å; Y251-A255 PolarHBondContact O-N 2.89Å; A255-V257 VanDerWaalsContact C-N 3.32Å; A255-V257 PolarHBondContact O-N 2.82Å; A255-K258 PolarHBondContact O-N 3.01Å; A255-D259 PolarHBondContact O-N 2.86Å
256L90.2Very high88.3Confident6 Ų653.4 Ų53.43%0.03128%0.277CS..Hα-helixtrans-63.7-38171.9-171.577.6000111.3F216 R218 T220 N252 E253 I260F216-L256 HydrophobicContact CD2-CD1 3.7Å; F216-L256 HydrophobicContact CE2-CD1 3.66Å; R218-L256 HydrophobicContact CB-CB 4.48Å; R218-L256 HydrophobicContact CB-CD1 4.27Å; R218-L256 HydrophobicContact CG-CD1 4.17Å; T220-L256 HydrophobicContact CG2-CD2 4.39Å; N252-L256 WeakPolarHBondContact O-CB 3.35Å; N252-L256 PolarHBondContact O-N 3.47Å; E253-L256 WeakPolarHBondContact O-CB 3.46Å; E253-L256 PolarHBondContact O-N 3.26Å; L256-I260 HydrophobicContact CG-CD1 4.01Å; L256-I260 WeakPolarHBondContact O-CD1 3.43Å; L256-I260 WeakPolarHBondContact O-CG1 3.31Å; L256-I260 PolarHBondContact O-N 2.73Å
257V88.8Confident88.9Confident42 Ų4254.2 Ų54.226%0.25528%0.28SS..Hα-helixtrans-61.2-48173.1-179.10000110.2E253 A254 A255 I260 Q261 I288E253-V257 WeakPolarHBondContact O-CG2 3.25Å; E253-V257 PolarHBondContact O-N 2.92Å; A254-V257 WeakPolarHBondContact O-CB 3.41Å; A254-V257 PolarHBondContact O-N 2.76Å; A255-V257 VanDerWaalsContact C-N 3.32Å; A255-V257 PolarHBondContact O-N 2.82Å; V257-I260 PolarHBondContact O-N 3.15Å; V257-Q261 HydrophobicContact CG1-CG 4.44Å; V257-Q261 WeakPolarHBondContact O-CG 3.41Å; V257-Q261 PolarHBondContact O-N 3.1Å; V257-I288 HydrophobicContact CG1-CG1 4.46Å; V257-I288 HydrophobicContact CG1-CG2 4.3Å; V257-I288 HydrophobicContact CG2-CD1 4.31Å; V257-I288 HydrophobicContact CG2-CG1 3.86Å
258K89.3Confident89.1Confident115 Ų11553.3 Ų53.350%0.527%0.274SS..Hα-helixtrans-61.4-49.8178.9-163.9-166.4-177.3-54.50112.1A254 A255 I260 Q261 D262A254-K258 PolarHBondContact O-N 2.88Å; A255-K258 PolarHBondContact O-N 3.01Å; K258-I260 PolarHBondContact O-N 3.47Å; K258-Q261 PolarHBondContact O-N 3.46Å; K258-D262 IonicContact NZ-OD1 3.42Å; K258-D262 PolarHBondContact NZ-OD1 3.05Å; K258-D262 IonicContact NZ-OD2 2.71Å; K258-D262 PolarHBondContact NZ-OD2 3.03Å; K258-D262 WeakPolarHBondContact O-CB 3.23Å; K258-D262 VanDerWaalsContact O-CG 3.26Å; K258-D262 PolarHBondContact O-N 3Å
259D91Very high89.3Confident45 Ų4556 Ų5624%0.24128%0.284CS..Hα-helixtrans-55.7-36.9178.5-60.5-18.7000112.1F216 R218 A255 L263F216-D259 HydrophobicContact CD2-CB 4.28Å; F216-D259 HydrophobicContact CE2-CB 3.52Å; F216-D259 HydrophobicContact CZ-CB 3.72Å; R218-D259 IonicContact CZ-OD1 2.66Å; R218-D259 IonicContact CZ-OD2 3.06Å; R218-D259 IonicContact NE-OD1 2.86Å; R218-D259 IonicContact NE-OD2 3.32Å; R218-D259 PolarHBondContact NE-OD2 2.84Å; R218-D259 IonicContact NH2-OD1 3.51Å; R218-D259 PolarHBondContact NH2-OD1 3.46Å; R218-D259 IonicContact NH2-OD2 2.75Å; R218-D259 PolarHBondContact NH2-OD2 3.32Å; A255-D259 PolarHBondContact O-N 2.86Å; D259-L263 VanDerWaalsContact O-CB 3.31Å; D259-L263 WeakPolarHBondContact O-CB 3.37Å; D259-L263 PolarHBondContact O-N 2.85Å; D259-L263 VanDerWaalsContact O-N 3.13Å
260I90.9Very high89.4Confident0 Ų055.9 Ų55.90%029%0.286CS..Hα-helixtrans-73.1-41.1177.8-66.2167.1000110.9T195 F200 F216 L256 V257 K258 L263 L264 I288 F289T195-I260 HydrophobicContact CG2-CD1 4.34Å; F200-I260 HydrophobicContact CB-CD1 4.09Å; F200-I260 HydrophobicContact CB-CG1 4.21Å; F200-I260 HydrophobicContact CD2-CB 4.45Å; F200-I260 HydrophobicContact CD2-CD1 3.52Å; F200-I260 HydrophobicContact CD2-CG1 3.47Å; F200-I260 VanDerWaalsContact CD2-CG1 3.47Å; F200-I260 HydrophobicContact CD2-CG2 4.17Å; F200-I260 HydrophobicContact CE2-CD1 4.3Å; F200-I260 HydrophobicContact CE2-CG1 3.97Å; F200-I260 HydrophobicContact CE2-CG2 3.84Å; F200-I260 HydrophobicContact CG-CD1 4.08Å; F200-I260 HydrophobicContact CG-CG1 3.86Å; F216-I260 HydrophobicContact CE2-CG1 3.77Å; F216-I260 HydrophobicContact CZ-CG1 3.59Å; L256-I260 HydrophobicContact CG-CD1 4.01Å; L256-I260 WeakPolarHBondContact O-CD1 3.43Å; L256-I260 WeakPolarHBondContact O-CG1 3.31Å; L256-I260 PolarHBondContact O-N 2.73Å; V257-I260 PolarHBondContact O-N 3.15Å; K258-I260 PolarHBondContact O-N 3.47Å; I260-L263 PolarHBondContact O-N 3.22Å; I260-L264 HydrophobicContact CG2-CD1 3.82Å; I260-L264 HydrophobicContact CG2-CG 4.4Å; I260-L264 WeakPolarHBondContact O-CB 3.2Å; I260-L264 VanDerWaalsContact O-CG 3.23Å; I260-L264 WeakPolarHBondContact O-CG 3.18Å; I260-L264 PolarHBondContact O-N 2.91Å; I260-I288 HydrophobicContact CB-CG2 3.87Å; I260-I288 HydrophobicContact CD1-CD1 4.31Å; I260-I288 HydrophobicContact CD1-CG2 3.83Å; I260-I288 HydrophobicContact CG1-CG2 4.46Å; I260-I288 HydrophobicContact CG2-CG2 3.63Å; I260-F289 HydrophobicContact CG2-CE1 4.02Å; I260-F289 HydrophobicContact CG2-CZ 4.41Å
261Q89.1Confident89.4Confident50 Ų5052.6 Ų52.623%0.23427%0.274CS..Hα-helixtrans-69.2-44.2179-71.1177.1-18.300111.5V257 K258 L263 L264 L265 I288 P296V257-Q261 HydrophobicContact CG1-CG 4.44Å; V257-Q261 WeakPolarHBondContact O-CG 3.41Å; V257-Q261 PolarHBondContact O-N 3.1Å; K258-Q261 PolarHBondContact O-N 3.46Å; Q261-L263 VanDerWaalsContact C-N 3.32Å; Q261-L263 PolarHBondContact O-N 2.72Å; Q261-L264 PolarHBondContact O-N 2.92Å; Q261-L265 WeakPolarHBondContact O-CG 3.28Å; Q261-L265 PolarHBondContact O-N 2.95Å; Q261-I288 PolarHBondContact NE2-O 3.36Å; Q261-I288 VanDerWaalsContact NE2-O 3.1Å; Q261-P296 HydrophobicContact CG-CG 4.19Å
262D89.9Confident89.4Confident67 Ų6751.7 Ų51.736%0.35828%0.278SS..Hα-helixtrans-58.3-42.2173.3-65.4-16.5000111.3K258 L265 T266K258-D262 IonicContact NZ-OD1 3.42Å; K258-D262 PolarHBondContact NZ-OD1 3.05Å; K258-D262 IonicContact NZ-OD2 2.71Å; K258-D262 PolarHBondContact NZ-OD2 3.03Å; K258-D262 WeakPolarHBondContact O-CB 3.23Å; K258-D262 VanDerWaalsContact O-CG 3.26Å; K258-D262 PolarHBondContact O-N 3Å; D262-L265 PolarHBondContact O-N 2.97Å; D262-T266 PolarHBondContact O-N 3.23Å; D262-T266 VanDerWaalsContact O-N 3.16Å
263L91.6Very high89.3Confident20 Ų2054.3 Ų54.311%0.10530%0.297CS..Hα-helixtrans-66.7-41.3175.4177.968.3000112.7F200 K214 F216 D259 I260 Q261 L265 T266 W267F200-L263 HydrophobicContact CD1-CD2 4.42Å; F200-L263 HydrophobicContact CE1-CD2 3.47Å; F200-L263 VanDerWaalsContact CE1-CD2 3.47Å; F200-L263 HydrophobicContact CZ-CD2 3.84Å; K214-L263 HydrophobicContact CB-CD1 4.19Å; K214-L263 HydrophobicContact CB-CD2 3.71Å; K214-L263 HydrophobicContact CG-CD1 4.2Å; K214-L263 HydrophobicContact CG-CD2 4.07Å; F216-L263 HydrophobicContact CE1-CD2 4.04Å; D259-L263 VanDerWaalsContact O-CB 3.31Å; D259-L263 WeakPolarHBondContact O-CB 3.37Å; D259-L263 PolarHBondContact O-N 2.85Å; D259-L263 VanDerWaalsContact O-N 3.13Å; I260-L263 PolarHBondContact O-N 3.22Å; Q261-L263 VanDerWaalsContact C-N 3.32Å; Q261-L263 PolarHBondContact O-N 2.72Å; L263-L265 VanDerWaalsContact C-N 3.26Å; L263-L265 PolarHBondContact O-N 3.16Å; L263-T266 PolarHBondContact O-N 3.06Å; L263-T266 PolarHBondContact O-OG1 2.81Å; L263-W267 HydrophobicContact CD1-CD2 4.23Å; L263-W267 HydrophobicContact CD1-CG 4.45Å; L263-W267 HydrophobicContact CD1-CZ2 4.2Å; L263-W267 HydrophobicContact CG-CD2 4.3Å; L263-W267 WeakPolarHBondContact O-CB 3.42Å; L263-W267 PolarHBondContact O-N 3.11Å
264L89.4Confident89.3Confident1 Ų152.8 Ų52.81%0.00529%0.291CS..Hα-helixtrans-68-30.4179-70168.5000111.3L193 I260 Q261 W267 T268 L271 F289 P296L193-L264 HydrophobicContact CD1-CD2 3.79Å; L193-L264 HydrophobicContact CD2-CD2 4.12Å; I260-L264 HydrophobicContact CG2-CD1 3.82Å; I260-L264 HydrophobicContact CG2-CG 4.4Å; I260-L264 WeakPolarHBondContact O-CB 3.2Å; I260-L264 VanDerWaalsContact O-CG 3.23Å; I260-L264 WeakPolarHBondContact O-CG 3.18Å; I260-L264 PolarHBondContact O-N 2.91Å; Q261-L264 PolarHBondContact O-N 2.92Å; L264-W267 CarbonylContact O-C 3.53Å; L264-W267 PolarHBondContact O-N 3.13Å; L264-T268 PolarHBondContact O-N 2.82Å; L264-T268 VanDerWaalsContact O-N 3.15Å; L264-T268 PolarHBondContact O-OG1 3.47Å; L264-L271 HydrophobicContact CB-CD1 4.25Å; L264-L271 HydrophobicContact CD2-CD1 3.88Å; L264-L271 HydrophobicContact CD2-CD2 4.49Å; L264-L271 WeakPolarHBondContact O-CD1 3.33Å; L264-F289 HydrophobicContact CD1-CD1 3.71Å; L264-F289 HydrophobicContact CD1-CE1 3.92Å; L264-P296 HydrophobicContact CB-CB 3.84Å; L264-P296 HydrophobicContact CB-CG 3.88Å; L264-P296 HydrophobicContact CD1-CB 4.4Å; L264-P296 HydrophobicContact CD1-CG 3.63Å; L264-P296 HydrophobicContact CG-CG 4.42Å
265L89.6Confident89.2Confident111 Ų11152 Ų5258%0.58128%0.282SS*.Hα-helixtrans-64.8-44170-70.8169.5000111.9Q261 D262 L263 W267 T268Q261-L265 WeakPolarHBondContact O-CG 3.28Å; Q261-L265 PolarHBondContact O-N 2.95Å; D262-L265 PolarHBondContact O-N 2.97Å; L263-L265 VanDerWaalsContact C-N 3.26Å; L263-L265 PolarHBondContact O-N 3.16Å; L265-W267 PolarHBondContact O-N 3.42Å; L265-T268 WeakPolarHBondContact O-CB 3.31Å; L265-T268 PolarHBondContact O-N 2.77Å; L265-T268 PolarHBondContact O-OG1 3.45Å
266T91.6Very high89.1Confident104 Ų10451.4 Ų51.464%0.63828%0.276SS*.Hα-helixtrans-70.6-16.4174.460.90000113.4D262 L263D262-T266 PolarHBondContact O-N 3.23Å; D262-T266 VanDerWaalsContact O-N 3.16Å; L263-T266 PolarHBondContact O-N 3.06Å; L263-T266 PolarHBondContact O-OG1 2.81Å
267W91.7Very high89.1Confident18 Ų1851.1 Ų51.17%0.06828%0.275CS..THydrogen-bonded Turntrans-97.39.7173.7-73.55.8000114.1L193 V204 H212 K214 L263 L264 L265 E269 H270 L271L193-W267 HydrophobicContact CD2-CZ3 4.35Å; V204-W267 HydrophobicContact CG2-CD2 4.11Å; V204-W267 HydrophobicContact CG2-CE3 3.82Å; V204-W267 HydrophobicContact CG2-CH2 4.27Å; V204-W267 HydrophobicContact CG2-CZ3 3.91Å; H212-W267 HydrophobicContact CB-CZ2 3.95Å; K214-W267 HydrophobicContact CB-CH2 4.32Å; K214-W267 HydrophobicContact CB-CZ2 4.12Å; L263-W267 HydrophobicContact CD1-CD2 4.23Å; L263-W267 HydrophobicContact CD1-CG 4.45Å; L263-W267 HydrophobicContact CD1-CZ2 4.2Å; L263-W267 HydrophobicContact CG-CD2 4.3Å; L263-W267 WeakPolarHBondContact O-CB 3.42Å; L263-W267 PolarHBondContact O-N 3.11Å; L264-W267 CarbonylContact O-C 3.53Å; L264-W267 PolarHBondContact O-N 3.13Å; L265-W267 PolarHBondContact O-N 3.42Å; W267-E269 VanDerWaalsContact C-N 3.27Å; W267-E269 PolarHBondContact O-N 2.81Å; W267-H270 PolarHBondContact O-N 2.89Å; W267-H270 VanDerWaalsContact O-N 3.1Å; W267-L271 HydrophobicContact CB-CD1 4.36Å; W267-L271 HydrophobicContact CB-CG 4.42Å; W267-L271 WeakPolarHBondContact O-CG 3.44Å; W267-L271 PolarHBondContact O-N 3.06Å
268T88.5Confident89.3Confident58 Ų5849.1 Ų49.136%0.35626%0.263SS..Hα-helixtrans-53.7-40.7-175.9-58.80000113L264 L265 L271 N272L264-T268 PolarHBondContact O-N 2.82Å; L264-T268 VanDerWaalsContact O-N 3.15Å; L264-T268 PolarHBondContact O-OG1 3.47Å; L265-T268 WeakPolarHBondContact O-CB 3.31Å; L265-T268 PolarHBondContact O-N 2.77Å; L265-T268 PolarHBondContact O-OG1 3.45Å; T268-L271 PolarHBondContact O-N 2.97Å; T268-N272 WeakPolarHBondContact O-CB 3.47Å; T268-N272 VanDerWaalsContact O-CG 3.23Å; T268-N272 PolarHBondContact O-N 2.83Å; T268-N272 PolarHBondContact O-ND2 2.59Å
269E88.6Confident89.4Confident158 Ų15844.4 Ų44.474%0.73824%0.243SC*.Hα-helixtrans-64.6-46178.9-63.1-179.4177.800111.9W267 L271 N272 S273W267-E269 VanDerWaalsContact C-N 3.27Å; W267-E269 PolarHBondContact O-N 2.81Å; E269-L271 VanDerWaalsContact C-N 3.34Å; E269-L271 PolarHBondContact O-N 3Å; E269-N272 PolarHBondContact O-N 2.67Å; E269-S273 PolarHBondContact O-N 3.17Å; E269-S273 PolarHBondContact O-OG 2.93Å
270H87.6Confident89.3Confident44 Ų4446.4 Ų46.420%0.20425%0.248CC..Hα-helixtrans-66.9-33.5175.6-51.7-62000112.8V204 H212 W267 N272 S273 A274V204-H270 HydrophobicContact CG1-CB 4.03Å; V204-H270 HydrophobicContact CG2-CB 4.06Å; H212-H270 AromaticContact CD2-CD2 3.82Å; H212-H270 AromaticContact CD2-CE1 3.55Å; H212-H270 AromaticContact CD2-NE2 3.22Å; H212-H270 PolarHBondContact CD2-NE2 2.8Å; H212-H270 AromaticContact NE2-CE1 3.57Å; H212-H270 AromaticContact NE2-NE2 3.42Å; H212-H270 PolarHBondContact NE2-NE2 2.88Å; W267-H270 PolarHBondContact O-N 2.89Å; W267-H270 VanDerWaalsContact O-N 3.1Å; H270-N272 VanDerWaalsContact C-N 3.34Å; H270-S273 WeakPolarHBondContact CA-OG 3Å; H270-S273 PolarHBondContact O-OG 3.19Å; H270-A274 WeakPolarHBondContact O-CB 3.29Å; H270-A274 PolarHBondContact O-N 3.46Å
271L86.9Confident89.1Confident8 Ų846.9 Ų46.94%0.04225%0.252CS..Hα-helixtrans-71-30.1174.6-69.6169.1000112V191 L264 W267 T268 E269 V277 L297 R303V191-L271 HydrophobicContact CB-CD2 4.38Å; V191-L271 HydrophobicContact CG1-CD2 3.96Å; V191-L271 HydrophobicContact CG2-CD2 4.32Å; L264-L271 HydrophobicContact CB-CD1 4.25Å; L264-L271 HydrophobicContact CD2-CD1 3.88Å; L264-L271 HydrophobicContact CD2-CD2 4.49Å; L264-L271 WeakPolarHBondContact O-CD1 3.33Å; W267-L271 HydrophobicContact CB-CD1 4.36Å; W267-L271 HydrophobicContact CB-CG 4.42Å; W267-L271 WeakPolarHBondContact O-CG 3.44Å; W267-L271 PolarHBondContact O-N 3.06Å; T268-L271 PolarHBondContact O-N 2.97Å; E269-L271 VanDerWaalsContact C-N 3.34Å; E269-L271 PolarHBondContact O-N 3Å; L271-V277 HydrophobicContact CD2-CG1 4.4Å; L271-V277 HydrophobicContact CD2-CG2 4.41Å; L271-L297 HydrophobicContact CD1-CD2 4.34Å; L271-L297 HydrophobicContact CD2-CD2 4.33Å; L271-R303 PolarHBondContact O-NH1 2.72Å
272N86.8Confident88.8Confident110 Ų11045.9 Ų45.959%0.58825%0.249SC*.Hα-helixtrans-75.5-40.1174-73.3-19.6000111.7T268 E269 H270 A274 R303T268-N272 WeakPolarHBondContact O-CB 3.47Å; T268-N272 VanDerWaalsContact O-CG 3.23Å; T268-N272 PolarHBondContact O-N 2.83Å; T268-N272 PolarHBondContact O-ND2 2.59Å; E269-N272 PolarHBondContact O-N 2.67Å; H270-N272 VanDerWaalsContact C-N 3.34Å; N272-A274 VanDerWaalsContact C-N 3.3Å; N272-A274 PolarHBondContact O-N 2.97Å; N272-R303 PolarHBondContact O-NH1 3.41Å; N272-R303 VanDerWaalsContact O-NH1 3.16Å
273S87.8Confident88.1Confident70 Ų7047.3 Ų47.349%0.4927%0.265SS..Hα-helixtrans-75.6-13.4174.666.10000114.5E269 H270 S275E269-S273 PolarHBondContact O-N 3.17Å; E269-S273 PolarHBondContact O-OG 2.93Å; H270-S273 WeakPolarHBondContact CA-OG 3Å; H270-S273 PolarHBondContact O-OG 3.19Å; S273-S275 PolarHBondContact O-N 3.16Å
274A87.8Confident87.2Confident4 Ų450.3 Ų50.33%0.03328%0.275CS..  trans-63126.4-179.500000113.1V189 V191 H270 N272 V277 R303V189-A274 HydrophobicContact CG1-CB 4.47Å; V189-A274 WeakPolarHBondContact O-CA 3.49Å; V191-A274 HydrophobicContact CG2-CB 3.77Å; H270-A274 WeakPolarHBondContact O-CB 3.29Å; H270-A274 PolarHBondContact O-N 3.46Å; N272-A274 VanDerWaalsContact C-N 3.3Å; N272-A274 PolarHBondContact O-N 2.97Å; A274-V277 HydrophobicContact CB-CG2 3.86Å; A274-R303 WeakPolarHBondContact O-CD 3.27Å; A274-R303 PolarHBondContact O-NH1 2.74Å
275S86.5Confident86.7Confident48 Ų4851.4 Ų51.434%0.33628%0.281SS..SBendtrans-73.3-33.8169.4175.60000111.7V189 S273V189-S275 PolarHBondContact O-N 2.82Å; S273-S275 PolarHBondContact O-N 3.16Å
276A87.9Confident86.2Confident0 Ų051.5 Ų51.50%028%0.277CS..EExtended strand (participates in β ladder)trans-146.1139.7177.300000111.8V191 F278V191-A276 PolarHBondContact N-O 2.94Å; A276-F278 HydrophobicContact CB-CD2 4.32Å; A276-F278 HydrophobicContact CB-CE2 3.62Å; A276-F278 HydrophobicContact CB-CZ 3.89Å
277V90.9Very high85.4Confident1 Ų150.9 Ų50.91%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-121.3100.3178.1-175.30000109.2V191 L193 L271 A274 V279 L297 R303 I304 R305V191-V277 HydrophobicContact CB-CG1 4.41Å; V191-V277 HydrophobicContact CB-CG2 4.4Å; V191-V277 CarbonylContact O-C 3.51Å; V191-V277 WeakPolarHBondContact O-CA 3.32Å; L193-V277 HydrophobicContact CD1-CG1 4.03Å; L271-V277 HydrophobicContact CD2-CG1 4.4Å; L271-V277 HydrophobicContact CD2-CG2 4.41Å; A274-V277 HydrophobicContact CB-CG2 3.86Å; V277-V279 HydrophobicContact CG1-CG2 4.09Å; V277-V279 PolarHBondContact O-N 3.42Å; V277-L297 HydrophobicContact CG1-CD1 4.38Å; V277-R303 PolarHBondContact N-O 3.39Å; V277-I304 HydrophobicContact CB-CG1 4.29Å; V277-I304 WeakPolarHBondContact O-CA 3.24Å; V277-R305 PolarHBondContact O-N 3.43Å
278F91.6Very high85Confident0 Ų050.3 Ų50.30%027%0.271CS..EExtended strand (participates in β ladder)trans-85.9108-176.8-63.5-83.6000111.6C164 W190 V191 I192 L193 A276 R305 L307 L326C164-F278 HydrophobicContact CB-CE1 4.28Å; C164-F278 VanDerWaalsContact O-CE1 3.24Å; C164-F278 WeakPolarHBondContact O-CE1 3.35Å; W190-F278 HydrophobicContact CB-CE2 4.37Å; W190-F278 AromaticContact CD2-CE2 3.84Å; W190-F278 HydrophobicContact CD2-CE2 3.84Å; W190-F278 HydrophobicContact CD2-CZ 4.47Å; W190-F278 AromaticContact CE3-CE2 3.95Å; W190-F278 HydrophobicContact CE3-CE2 3.95Å; W190-F278 HydrophobicContact CE3-CZ 4.49Å; W190-F278 HydrophobicContact CG-CE2 4.04Å; V191-F278 PolarHBondContact O-N 3.08Å; I192-F278 HydrophobicContact CG1-CB 4.24Å; I192-F278 HydrophobicContact CG1-CD2 4.11Å; I192-F278 HydrophobicContact CG2-CB 4.37Å; L193-F278 PolarHBondContact N-O 3.34Å; A276-F278 HydrophobicContact CB-CD2 4.32Å; A276-F278 HydrophobicContact CB-CE2 3.62Å; A276-F278 HydrophobicContact CB-CZ 3.89Å; F278-R305 CarbonylContact C-O 3.56Å; F278-R305 WeakPolarHBondContact CA-O 3.39Å; F278-R305 HydrophobicContact CD1-CB 4.07Å; F278-R305 HydrophobicContact CE1-CB 4.21Å; F278-L307 HydrophobicContact CB-CD2 3.84Å; F278-L307 HydrophobicContact CB-CG 4.47Å; F278-L307 HydrophobicContact CD1-CD2 3.9Å; F278-L307 HydrophobicContact CG-CD2 4.15Å; F278-L326 HydrophobicContact CD1-CD1 3.81Å; F278-L326 HydrophobicContact CD2-CD1 4.21Å; F278-L326 HydrophobicContact CE1-CD1 3.77Å; F278-L326 HydrophobicContact CE2-CD1 4.18Å; F278-L326 HydrophobicContact CG-CD1 4.02Å; F278-L326 HydrophobicContact CZ-CD1 3.96Å
279V90.8Very high84.6Confident15 Ų1547.5 Ų47.59%0.09125%0.254CS..EExtended strand (participates in β ladder)trans-106.7122.7-176-176.30000111.9L193 V277 F289 F290 I304 R305L193-V279 HydrophobicContact CD1-CG2 4.36Å; V277-V279 HydrophobicContact CG1-CG2 4.09Å; V277-V279 PolarHBondContact O-N 3.42Å; V279-F289 HydrophobicContact CG1-CD2 3.94Å; V279-F289 HydrophobicContact CG1-CE2 4.05Å; V279-F289 HydrophobicContact CG1-CG 4.3Å; V279-F289 HydrophobicContact CG1-CZ 4.49Å; V279-F290 HydrophobicContact CG1-CZ 4.44Å; V279-I304 HydrophobicContact CB-CG2 4.43Å; V279-I304 HydrophobicContact CG2-CG2 3.85Å; V279-R305 PolarHBondContact N-O 2.88Å
280R90.1Very high84.1Confident88 Ų8843 Ų4333%0.33223%0.232SC..EExtended strand (participates in β ladder)trans-11895.7173.5179.966.8-176.199.41.3110.6L193 M194 T195 L307 T311L193-R280 PolarHBondContact O-N 3.34Å; M194-R280 HydrophobicContact CE-CG 4.42Å; M194-R280 HydrophobicContact CG-CB 4.19Å; T195-R280 PolarHBondContact N-O 3.2Å; R280-L307 HydrophobicContact CB-CD1 3.87Å; R280-L307 HydrophobicContact CB-CG 4.4Å; R280-L307 HydrophobicContact CG-CD1 4.39Å; R280-T311 HydrophobicContact CG-CG2 4.02Å; R280-T311 PolarHBondContact NE-OG1 3.17Å
281A87.2Confident82.9Confident10 Ų1042 Ų428%0.08323%0.234CC..  trans-126.3140.5171.900000111.3N285 K286 F289A281-N285 HydrophobicContact CB-CB 4.05Å; A281-K286 HydrophobicContact CB-CG 4.02Å; A281-F289 HydrophobicContact CB-CD2 4.38Å; A281-F289 HydrophobicContact CB-CE2 4.12Å
282P81.4Confident81.6Confident28 Ų2845 Ų4518%0.18227%0.267CS..  trans-53.9155.8156-24.333.7000111.4T195 Y284 N285 K286T195-P282 VanDerWaalsContact O-CD 3.31Å; T195-P282 WeakPolarHBondContact O-CD 3.44Å; P282-Y284 VanDerWaalsContact C-N 3.34Å; P282-Y284 HydrophobicContact CB-CD1 3.86Å; P282-Y284 HydrophobicContact CB-CE1 3.41Å; P282-Y284 VanDerWaalsContact CB-CE1 3.41Å; P282-Y284 HydrophobicContact CB-CE2 4.17Å; P282-Y284 HydrophobicContact CB-CG 4.41Å; P282-Y284 HydrophobicContact CG-CE1 4.19Å; P282-Y284 HydrophobicContact CG-CE2 4.49Å; P282-Y284 PolarHBondContact O-N 2.82Å; P282-N285 HydrophobicContact CB-CB 4.47Å; P282-N285 WeakPolarHBondContact O-CA 3.37Å; P282-N285 PolarHBondContact O-N 3.07Å; P282-K286 PolarHBondContact O-N 2.95Å
283S74.8Confident79.5Confident98 Ų9852.6 Ų52.669%0.68529%0.287SS*.G310 helixtrans-50-50.5-178.846.80000113N285 K286S283-N285 PolarHBondContact O-N 2.99Å; S283-K286 WeakPolarHBondContact O-CB 3.5Å; S283-K286 PolarHBondContact O-N 2.92Å; S283-K286 VanDerWaalsContact O-N 3.15Å
284Y73.1Confident77.8Confident83 Ų8352.7 Ų52.733%0.32530%0.299SS..G310 helixtrans-64-16.9178.462.8-98.7000114.8A228 L231 P282 T287A228-Y284 HydrophobicContact CB-CE2 4.01Å; L231-Y284 HydrophobicContact CD1-CD1 4.48Å; L231-Y284 HydrophobicContact CD2-CD1 4.18Å; L231-Y284 HydrophobicContact CD2-CE1 4.36Å; P282-Y284 VanDerWaalsContact C-N 3.34Å; P282-Y284 HydrophobicContact CB-CD1 3.86Å; P282-Y284 HydrophobicContact CB-CE1 3.41Å; P282-Y284 VanDerWaalsContact CB-CE1 3.41Å; P282-Y284 HydrophobicContact CB-CE2 4.17Å; P282-Y284 HydrophobicContact CB-CG 4.41Å; P282-Y284 HydrophobicContact CG-CE1 4.19Å; P282-Y284 HydrophobicContact CG-CE2 4.49Å; P282-Y284 PolarHBondContact O-N 2.82Å; Y284-T287 PolarHBondContact O-OG1 3.5Å
285N79.3Confident76.6Confident23 Ų2353.6 Ų53.612%0.12331%0.309CS..G310 helixtrans-100.1-8.1178-9523.3000113T195 A281 P282 S283 T287 I288T195-N285 WeakPolarHBondContact CB-ND2 3.37Å; T195-N285 PolarHBondContact OG1-ND2 3.1Å; A281-N285 HydrophobicContact CB-CB 4.05Å; P282-N285 HydrophobicContact CB-CB 4.47Å; P282-N285 WeakPolarHBondContact O-CA 3.37Å; P282-N285 PolarHBondContact O-N 3.07Å; S283-N285 PolarHBondContact O-N 2.99Å; N285-T287 PolarHBondContact O-N 3.15Å; N285-I288 HydrophobicContact CB-CD1 4.03Å; N285-I288 WeakPolarHBondContact O-CB 3.23Å; N285-I288 WeakPolarHBondContact O-CG1 3.45Å; N285-I288 PolarHBondContact O-N 2.88Å; N285-I288 VanDerWaalsContact O-N 3.15Å
286K78.8Confident75.7Confident114 Ų11453 Ų5350%0.49630%0.304SS..THydrogen-bonded Turntrans-63-30.7179.2-74-173.5175.3-172.10112.2A281 P282 S283 I288 F289 F290A281-K286 HydrophobicContact CB-CG 4.02Å; P282-K286 PolarHBondContact O-N 2.95Å; S283-K286 WeakPolarHBondContact O-CB 3.5Å; S283-K286 PolarHBondContact O-N 2.92Å; S283-K286 VanDerWaalsContact O-N 3.15Å; K286-I288 PolarHBondContact O-N 2.61Å; K286-F289 PolarHBondContact O-N 3.29Å; K286-F289 VanDerWaalsContact O-N 3.16Å; K286-F290 HydrophobicContact CB-CD2 4.18Å; K286-F290 HydrophobicContact CB-CE2 4.49Å; K286-F290 WeakPolarHBondContact O-CD2 3.33Å; K286-F290 PolarHBondContact O-N 3.25Å; K286-F290 VanDerWaalsContact O-N 3.13Å
287T75.8Confident75.1Confident90 Ų9053.5 Ų53.555%0.55231%0.306SS*.Hα-helixtrans-59.6-20.3174.646.40000114.2Y284 N285 F289 G291Y284-T287 PolarHBondContact O-OG1 3.5Å; N285-T287 PolarHBondContact O-N 3.15Å; T287-F289 VanDerWaalsContact C-N 3.31Å; T287-F289 PolarHBondContact O-N 3.18Å; T287-G291 WeakPolarHBondContact O-CA 3.35Å; T287-G291 PolarHBondContact O-N 3.01Å
288I82.2Confident74.4Confident6 Ų660.7 Ų60.73%0.03134%0.34CS..Hα-helixtrans-64.1-39.7175.4-59.9174.9000110.8V257 I260 Q261 N285 K286V257-I288 HydrophobicContact CG1-CG1 4.46Å; V257-I288 HydrophobicContact CG1-CG2 4.3Å; V257-I288 HydrophobicContact CG2-CD1 4.31Å; V257-I288 HydrophobicContact CG2-CG1 3.86Å; I260-I288 HydrophobicContact CB-CG2 3.87Å; I260-I288 HydrophobicContact CD1-CD1 4.31Å; I260-I288 HydrophobicContact CD1-CG2 3.83Å; I260-I288 HydrophobicContact CG1-CG2 4.46Å; I260-I288 HydrophobicContact CG2-CG2 3.63Å; Q261-I288 PolarHBondContact NE2-O 3.36Å; Q261-I288 VanDerWaalsContact NE2-O 3.1Å; N285-I288 HydrophobicContact CB-CD1 4.03Å; N285-I288 WeakPolarHBondContact O-CB 3.23Å; N285-I288 WeakPolarHBondContact O-CG1 3.45Å; N285-I288 PolarHBondContact O-N 2.88Å; N285-I288 VanDerWaalsContact O-N 3.15Å; K286-I288 PolarHBondContact O-N 2.61Å
289F80.9Confident73.3Confident0 Ų069 Ų690%038%0.376CS..Hα-helixtrans-90.3-42.2-176.7-60.1-77.8000112.5L193 T195 F200 I260 L264 V279 A281 K286 T287 L297L193-F289 HydrophobicContact CB-CE1 4.05Å; L193-F289 HydrophobicContact CB-CZ 4.2Å; L193-F289 HydrophobicContact CD1-CD1 4.25Å; L193-F289 HydrophobicContact CD1-CE1 3.89Å; L193-F289 HydrophobicContact CG-CE1 4.5Å; T195-F289 HydrophobicContact CG2-CE2 3.65Å; T195-F289 HydrophobicContact CG2-CZ 3.56Å; F200-F289 HydrophobicContact CE2-CE1 4.47Å; F200-F289 HydrophobicContact CE2-CZ 4.37Å; I260-F289 HydrophobicContact CG2-CE1 4.02Å; I260-F289 HydrophobicContact CG2-CZ 4.41Å; L264-F289 HydrophobicContact CD1-CD1 3.71Å; L264-F289 HydrophobicContact CD1-CE1 3.92Å; V279-F289 HydrophobicContact CG1-CD2 3.94Å; V279-F289 HydrophobicContact CG1-CE2 4.05Å; V279-F289 HydrophobicContact CG1-CG 4.3Å; V279-F289 HydrophobicContact CG1-CZ 4.49Å; A281-F289 HydrophobicContact CB-CD2 4.38Å; A281-F289 HydrophobicContact CB-CE2 4.12Å; K286-F289 PolarHBondContact O-N 3.29Å; K286-F289 VanDerWaalsContact O-N 3.16Å; T287-F289 VanDerWaalsContact C-N 3.31Å; T287-F289 PolarHBondContact O-N 3.18Å; F289-L297 HydrophobicContact CB-CD1 4.39Å; F289-L297 HydrophobicContact CD1-CD1 4.11Å; F289-L297 PolarHBondContact O-N 2.87Å
290F78.2Confident72.4Confident64 Ų6474.9 Ų74.928%0.28141%0.407SS..Hα-helixtrans-112.96.7-168.8-46.1-67.3000114.6V279 K286 L297 I304V279-F290 HydrophobicContact CG1-CZ 4.44Å; K286-F290 HydrophobicContact CB-CD2 4.18Å; K286-F290 HydrophobicContact CB-CE2 4.49Å; K286-F290 WeakPolarHBondContact O-CD2 3.33Å; K286-F290 PolarHBondContact O-N 3.25Å; K286-F290 VanDerWaalsContact O-N 3.13Å; F290-L297 HydrophobicContact CD1-CB 4.31Å; F290-L297 HydrophobicContact CE1-CB 4.21Å; F290-I304 HydrophobicContact CE1-CD1 3.82Å; F290-I304 HydrophobicContact CE1-CG2 3.98Å; F290-I304 HydrophobicContact CZ-CG2 3.81Å
291G62.4Low72Confident23 Ų2372.1 Ų72.124%0.23740%0.399CS..  trans-118.4141.2-169.900000113.9T287T287-G291 WeakPolarHBondContact O-CA 3.35Å; T287-G291 PolarHBondContact O-N 3.01Å
292G59.2Low71.4Confident71 Ų7174.9 Ų74.973%0.73242%0.416SS*.SBendtrans103.1161.9178.900000113.5G294 G295G292-G294 VanDerWaalsContact C-N 3.32Å; G292-G294 PolarHBondContact O-N 3.03Å; G292-G295 PolarHBondContact O-N 3.04Å
293R42.4Very low71.5Confident268 Ų26876.8 Ų76.8100%1.01142%0.42SS*.THydrogen-bonded Turntrans-73.587.1171.1-74.3-167.2-76.1-140.20.1108.8
294G53.1Low72.1Confident73 Ų7373.3 Ų73.375%0.75339%0.393SS*.THydrogen-bonded Turntrans11729.5-174.100000115G292G292-G294 VanDerWaalsContact C-N 3.32Å; G292-G294 PolarHBondContact O-N 3.03Å
295G62.3Low72.7Confident23 Ų2370.8 Ų70.824%0.23738%0.383CS..  trans-59.3131.1169.400000111G292 L297G292-G295 PolarHBondContact O-N 3.04Å; G295-L297 PolarHBondContact O-N 2.7Å; G295-L297 VanDerWaalsContact O-N 3.15Å
296P66.3Low73Confident35 Ų3574.1 Ų74.123%0.22741%0.408CS..SBendtrans-72.6-7-16929.3-37.3000114.5Q261 L264Q261-P296 HydrophobicContact CG-CG 4.19Å; L264-P296 HydrophobicContact CB-CB 3.84Å; L264-P296 HydrophobicContact CB-CG 3.88Å; L264-P296 HydrophobicContact CD1-CB 4.4Å; L264-P296 HydrophobicContact CD1-CG 3.63Å; L264-P296 HydrophobicContact CG-CG 4.42Å
297L75.8Confident73.3Confident10 Ų1069.5 Ų69.55%0.05239%0.389CS..SBendtrans-127.8128.1173.8-68.7176.4000109.9L193 L271 V277 F289 F290 G295 I304L193-L297 HydrophobicContact CD1-CD1 4.04Å; L271-L297 HydrophobicContact CD1-CD2 4.34Å; L271-L297 HydrophobicContact CD2-CD2 4.33Å; V277-L297 HydrophobicContact CG1-CD1 4.38Å; F289-L297 HydrophobicContact CB-CD1 4.39Å; F289-L297 HydrophobicContact CD1-CD1 4.11Å; F289-L297 PolarHBondContact O-N 2.87Å; F290-L297 HydrophobicContact CD1-CB 4.31Å; F290-L297 HydrophobicContact CE1-CB 4.21Å; G295-L297 PolarHBondContact O-N 2.7Å; G295-L297 VanDerWaalsContact O-N 3.15Å; L297-I304 HydrophobicContact CB-CD1 3.81Å; L297-I304 HydrophobicContact CD1-CD1 4.23Å; L297-I304 HydrophobicContact CD2-CD1 4.23Å; L297-I304 HydrophobicContact CG-CD1 4.31Å
298Q75.9Confident73.4Confident152 Ų15268.1 Ų68.171%0.7138%0.381SS*.  trans-70135.4177.8-63.6-165.51000110.9N300 D301Q298-N300 PolarHBondContact O-N 3.13Å; Q298-N300 VanDerWaalsContact O-N 3.11Å; Q298-D301 HydrophobicContact CB-CB 4.48Å; Q298-D301 PolarHBondContact O-N 2.92Å
299K70.1Confident73.5Confident174 Ų17469 Ų6976%0.75739%0.386SS*.THydrogen-bonded Turntrans-59.5-24.1-178.3-173.7-172.6170.7-162.90113.7
300N71.3Confident73.7Confident140 Ų14073.4 Ų73.475%0.74942%0.423SS*.THydrogen-bonded Turntrans-106.96.6-173.6-62.94.4000113.4Q298 P302Q298-N300 PolarHBondContact O-N 3.13Å; Q298-N300 VanDerWaalsContact O-N 3.11Å; N300-P302 WeakPolarHBondContact O-CD 3.39Å
301D80.7Confident74.1Confident30 Ų3071.9 Ų71.916%0.1642%0.419CS..  trans-68.1118.9-179.9-176.3-25000111Q298 R303 I304Q298-D301 HydrophobicContact CB-CB 4.48Å; Q298-D301 PolarHBondContact O-N 2.92Å; D301-R303 PolarHBondContact O-N 2.97Å; D301-R303 WeakPolarHBondContact OD1-CB 3.3Å; D301-R303 VanDerWaalsContact OD1-CG 3.3Å; D301-R303 WeakPolarHBondContact OD1-CG 3.2Å; D301-R303 PolarHBondContact OD1-N 3.43Å; D301-R303 IonicContact OD1-NE 2.82Å; D301-R303 PolarHBondContact OD1-NE 2.77Å; D301-R303 IonicContact OD2-CZ 3.22Å; D301-R303 IonicContact OD2-NE 3.57Å; D301-R303 PolarHBondContact OD2-NE 3.13Å; D301-R303 VanDerWaalsContact OD2-NE 3.16Å; D301-R303 IonicContact OD2-NH2 3.6Å; D301-R303 PolarHBondContact OD2-NH2 2.92Å; D301-I304 HydrophobicContact CB-CD1 3.79Å; D301-I304 HydrophobicContact CB-CG1 3.92Å; D301-I304 WeakPolarHBondContact O-CB 3.37Å; D301-I304 PolarHBondContact O-N 2.87Å; D301-I304 VanDerWaalsContact O-N 3.15Å
302P75.8Confident75.4Confident67 Ų6780 Ų8044%0.43544%0.442SS..THydrogen-bonded Turntrans-67.7-18.5-175.428.6-35.9000113.5G168 A170 N300 I304G168-P302 VanDerWaalsContact CA-O 3.29Å; G168-P302 WeakPolarHBondContact CA-O 3.37Å; A170-P302 HydrophobicContact CB-CB 4.18Å; N300-P302 WeakPolarHBondContact O-CD 3.39Å; P302-I304 PolarHBondContact O-N 3.47Å
303R83.7Confident76.8Confident68 Ų6884.6 Ų84.626%0.25744%0.437SS..THydrogen-bonded Turntrans-71.1-14.2176.5-54.7175-64.8161.11.8112.2L271 N272 A274 V277 D301 R305L271-R303 PolarHBondContact O-NH1 2.72Å; N272-R303 PolarHBondContact O-NH1 3.41Å; N272-R303 VanDerWaalsContact O-NH1 3.16Å; A274-R303 WeakPolarHBondContact O-CD 3.27Å; A274-R303 PolarHBondContact O-NH1 2.74Å; V277-R303 PolarHBondContact N-O 3.39Å; D301-R303 PolarHBondContact O-N 2.97Å; D301-R303 WeakPolarHBondContact OD1-CB 3.3Å; D301-R303 VanDerWaalsContact OD1-CG 3.3Å; D301-R303 WeakPolarHBondContact OD1-CG 3.2Å; D301-R303 PolarHBondContact OD1-N 3.43Å; D301-R303 IonicContact OD1-NE 2.82Å; D301-R303 PolarHBondContact OD1-NE 2.77Å; D301-R303 IonicContact OD2-CZ 3.22Å; D301-R303 IonicContact OD2-NE 3.57Å; D301-R303 PolarHBondContact OD2-NE 3.13Å; D301-R303 VanDerWaalsContact OD2-NE 3.16Å; D301-R303 IonicContact OD2-NH2 3.6Å; D301-R303 PolarHBondContact OD2-NH2 2.92Å; R303-R305 PolarHBondContact O-N 3.23Å
304I86.1Confident79.1Confident25 Ų2572.1 Ų72.113%0.12839%0.392CS..EExtended strand (participates in β ladder)trans-87.5110.2-175.7-58.8-175000110.7V277 V279 F290 L297 D301 P302V277-I304 HydrophobicContact CB-CG1 4.29Å; V277-I304 WeakPolarHBondContact O-CA 3.24Å; V279-I304 HydrophobicContact CB-CG2 4.43Å; V279-I304 HydrophobicContact CG2-CG2 3.85Å; F290-I304 HydrophobicContact CE1-CD1 3.82Å; F290-I304 HydrophobicContact CE1-CG2 3.98Å; F290-I304 HydrophobicContact CZ-CG2 3.81Å; L297-I304 HydrophobicContact CB-CD1 3.81Å; L297-I304 HydrophobicContact CD1-CD1 4.23Å; L297-I304 HydrophobicContact CD2-CD1 4.23Å; L297-I304 HydrophobicContact CG-CD1 4.31Å; D301-I304 HydrophobicContact CB-CD1 3.79Å; D301-I304 HydrophobicContact CB-CG1 3.92Å; D301-I304 WeakPolarHBondContact O-CB 3.37Å; D301-I304 PolarHBondContact O-N 2.87Å; D301-I304 VanDerWaalsContact O-N 3.15Å; P302-I304 PolarHBondContact O-N 3.47Å
305R85.9Confident81Confident30 Ų3071.4 Ų71.411%0.11337%0.373CS..EExtended strand (participates in β ladder)trans-119.4142.6-169.3-56.7-179.9-168.2177-2.3111.2C164 A165 L166 M167 V277 F278 V279 R303C164-R305 WeakPolarHBondContact O-CD 3.38Å; C164-R305 PolarHBondContact O-NH1 2.81Å; A165-R305 PolarHBondContact O-NH1 2.85Å; L166-R305 PolarHBondContact O-NH2 3.11Å; M167-R305 VanDerWaalsContact O-CD 3.29Å; M167-R305 WeakPolarHBondContact O-CD 3.47Å; M167-R305 PolarHBondContact O-NE 2.81Å; V277-R305 PolarHBondContact O-N 3.43Å; F278-R305 CarbonylContact C-O 3.56Å; F278-R305 WeakPolarHBondContact CA-O 3.39Å; F278-R305 HydrophobicContact CD1-CB 4.07Å; F278-R305 HydrophobicContact CE1-CB 4.21Å; V279-R305 PolarHBondContact N-O 2.88Å; R303-R305 PolarHBondContact O-N 3.23Å
306S85.4Confident82.6Confident93 Ų9372.6 Ų72.665%0.6537%0.372SS*.EExtended strand (participates in β ladder)trans-92.5137177.253.30000111.4P308S306-P308 WeakPolarHBondContact O-CD 3.23Å
307L84.9Confident83.8Confident18 Ų1881.1 Ų81.19%0.09440%0.399CS..  trans-67.8123175.8-65.4-177.6000111.3F278 R280 I309 T311 V322 L326F278-L307 HydrophobicContact CB-CD2 3.84Å; F278-L307 HydrophobicContact CB-CG 4.47Å; F278-L307 HydrophobicContact CD1-CD2 3.9Å; F278-L307 HydrophobicContact CG-CD2 4.15Å; R280-L307 HydrophobicContact CB-CD1 3.87Å; R280-L307 HydrophobicContact CB-CG 4.4Å; R280-L307 HydrophobicContact CG-CD1 4.39Å; L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 HydrophobicContact CB-CG1 4.4Å; L307-T311 HydrophobicContact CD1-CG2 3.8Å; L307-V322 HydrophobicContact CD1-CG1 3.57Å; L307-V322 HydrophobicContact CD1-CG2 4.15Å; L307-V322 HydrophobicContact CD2-CG1 3.69Å; L307-V322 HydrophobicContact CG-CG1 4.31Å; L307-L326 HydrophobicContact CD2-CD1 3.71Å
308P78.1Confident84.7Confident61 Ų6180.9 Ų80.940%0.39640%0.398SS..  trans-84.5-3.6175.435.3-36.3000113.1Y162 C164 S306Y162-P308 HydrophobicContact CD1-CG 3.96Å; Y162-P308 HydrophobicContact CE1-CG 4.41Å; C164-P308 WeakPolarHBondContact SG-CD 3.31Å; S306-P308 WeakPolarHBondContact O-CD 3.23Å
309I84.3Confident85.6Confident23 Ų2373.7 Ų73.712%0.11836%0.364CS..SBendtrans-96.7152.1-176.460.4174.8000112.4Y162 L307 T311 V322 V325Y162-I309 HydrophobicContact CD1-CG2 4.43Å; Y162-I309 HydrophobicContact CE1-CG2 3.64Å; Y162-I309 HydrophobicContact CE2-CG2 4.49Å; L307-I309 VanDerWaalsContact C-N 3.3Å; L307-I309 HydrophobicContact CB-CG1 4.4Å; I309-T311 PolarHBondContact O-N 3.27Å; I309-V322 HydrophobicContact CD1-CB 4.42Å; I309-V322 HydrophobicContact CD1-CG1 4.27Å; I309-V322 HydrophobicContact CD1-CG2 4.1Å; I309-V325 HydrophobicContact CD1-CB 4.18Å; I309-V325 HydrophobicContact CD1-CG1 3.85Å; I309-V325 HydrophobicContact CG2-CG1 4.17Å
310A85.3Confident86.7Confident94 Ų9468.1 Ų68.178%0.77734%0.341SS*.  trans-68127.3173.600000110.6R321A310-R321 PolarHBondContact O-NH2 2.68Å; A310-R321 VanDerWaalsContact O-NH2 3.13Å
311T87Confident87.7Confident32 Ų3264.1 Ų64.120%0.19632%0.315CS..  trans-112.2136-176.357.50000111.9M194 R280 L307 I309 E318 V322M194-T311 HydrophobicContact CE-CG2 3.7Å; R280-T311 HydrophobicContact CG-CG2 4.02Å; R280-T311 PolarHBondContact NE-OG1 3.17Å; L307-T311 HydrophobicContact CD1-CG2 3.8Å; I309-T311 PolarHBondContact O-N 3.27Å; T311-E318 VanDerWaalsContact CA-OE1 3.31Å; T311-E318 WeakPolarHBondContact CA-OE1 3.28Å; T311-V322 HydrophobicContact CG2-CG2 4.28Å
312R89.4Confident88.2Confident193 Ų19362.7 Ų62.773%0.72831%0.308SS*.  trans-78.9-164172.4-51.5-179.9175.8178.4-1.1110.4A314 E318R312-A314 PolarHBondContact O-N 3.33Å; R312-E318 HydrophobicContact CB-CG 4.07Å; R312-E318 WeakPolarHBondContact CB-OE2 3.4Å; R312-E318 WeakPolarHBondContact CD-OE2 3.44Å; R312-E318 WeakPolarHBondContact CG-OE2 3.46Å; R312-E318 PolarHBondContact N-OE1 3.5Å
313R87.9Confident89Confident167 Ų16759.9 Ų59.963%0.6329%0.289SS*.SBendtrans-62.7130.6173.8174.7176.5-79.4-154.2-14.4110.3H199 T315 E318H199-R313 PolarHBondContact NE2-NE 3.3Å; H199-R313 PolarHBondContact NE2-NH1 3.46Å; H199-R313 VanDerWaalsContact NE2-NH1 3.17Å; H199-R313 PolarHBondContact NE2-NH2 2.82Å; R313-T315 HydrophobicContact CG-CG2 4.25Å; R313-T315 PolarHBondContact O-N 3.21Å; R313-T315 PolarHBondContact O-OG1 3.49Å; R313-T315 VanDerWaalsContact O-OG1 3.1Å; R313-E318 WeakPolarHBondContact O-CB 3.4Å
314A91.9Very high89.3Confident7 Ų761.5 Ų61.56%0.05830%0.299CS..SBendtrans-54.2111.2174.200000110.5M194 H199 A201 R312M194-A314 HydrophobicContact CB-CB 3.85Å; H199-A314 HydrophobicContact CB-CB 4.03Å; A201-A314 HydrophobicContact CB-CB 3.97Å; R312-A314 PolarHBondContact O-N 3.33Å
315T93.4Very high89.4Confident58 Ų5862.1 Ų62.136%0.35630%0.304SS..  trans-155.3157.5-178.950.70000107.3R313 R317 E318 V319R313-T315 HydrophobicContact CG-CG2 4.25Å; R313-T315 PolarHBondContact O-N 3.21Å; R313-T315 PolarHBondContact O-OG1 3.49Å; R313-T315 VanDerWaalsContact O-OG1 3.1Å; T315-R317 PolarHBondContact O-N 3.36Å; T315-E318 PolarHBondContact O-N 3.15Å; T315-E318 WeakPolarHBondContact OG1-CB 3.38Å; T315-E318 PolarHBondContact OG1-N 2.91Å; T315-V319 PolarHBondContact O-N 2.97Å
316F94.3Very high89.5Confident48 Ų4860.7 Ų60.721%0.21130%0.299CS..Hα-helixtrans-59.1-45-177.9179.6-129.4000112.2A203 V210 H213 T215 E318 V319 Q320A203-F316 HydrophobicContact CB-CE2 4.36Å; V210-F316 HydrophobicContact CG1-CE2 4.01Å; V210-F316 HydrophobicContact CG1-CZ 4.03Å; V210-F316 HydrophobicContact CG2-CE2 4.3Å; V210-F316 HydrophobicContact CG2-CZ 4.07Å; H213-F316 HydrophobicContact CB-CD2 3.62Å; H213-F316 HydrophobicContact CB-CE2 3.46Å; H213-F316 VanDerWaalsContact CB-CE2 3.46Å; H213-F316 HydrophobicContact CB-CG 4.49Å; H213-F316 HydrophobicContact CB-CZ 4.22Å; H213-F316 AromaticContact CD2-CE2 3.89Å; H213-F316 AromaticContact CD2-CZ 3.72Å; H213-F316 AromaticContact CG-CD2 3.75Å; H213-F316 AromaticContact CG-CE2 3.57Å; H213-F316 AromaticContact CG-CZ 3.85Å; H213-F316 AromaticContact ND1-CD2 3.95Å; H213-F316 AromaticContact ND1-CG 3.97Å; T215-F316 HydrophobicContact CG2-CB 3.86Å; F316-E318 PolarHBondContact O-N 3.01Å; F316-V319 CarbonylContact O-C 3.55Å; F316-V319 WeakPolarHBondContact O-CA 3.48Å; F316-V319 WeakPolarHBondContact O-CB 3.44Å; F316-V319 PolarHBondContact O-N 3.06Å; F316-Q320 HydrophobicContact CD2-CG 4.17Å; F316-Q320 VanDerWaalsContact CE1-CD 3.5Å; F316-Q320 HydrophobicContact CE1-CG 4.24Å; F316-Q320 HydrophobicContact CE2-CG 3.84Å; F316-Q320 HydrophobicContact CZ-CG 3.88Å; F316-Q320 WeakPolarHBondContact O-CG 3.36Å; F316-Q320 PolarHBondContact O-N 3.05Å
317R93.3Very high89.6Confident213 Ų21356.7 Ų56.780%0.80427%0.27SS*.Hα-helixtrans-57.8-32.8174.2-63.9-175.3-176.7-179.80.9113.8T315 R321T315-R317 PolarHBondContact O-N 3.36Å; R317-R321 VanDerWaalsContact O-CB 3.32Å; R317-R321 WeakPolarHBondContact O-CB 3.36Å; R317-R321 PolarHBondContact O-N 3.31Å
318E94.4Very high89.5Confident6 Ų658.1 Ų58.13%0.02828%0.28CS..Hα-helixtrans-76.5-33.6174.7177.663.1-174.400111.8M194 T311 R312 R313 T315 F316 R321 V322M194-E318 HydrophobicContact CE-CG 3.73Å; M194-E318 HydrophobicContact SD-CG 4.19Å; T311-E318 VanDerWaalsContact CA-OE1 3.31Å; T311-E318 WeakPolarHBondContact CA-OE1 3.28Å; R312-E318 HydrophobicContact CB-CG 4.07Å; R312-E318 WeakPolarHBondContact CB-OE2 3.4Å; R312-E318 WeakPolarHBondContact CD-OE2 3.44Å; R312-E318 WeakPolarHBondContact CG-OE2 3.46Å; R312-E318 PolarHBondContact N-OE1 3.5Å; R313-E318 WeakPolarHBondContact O-CB 3.4Å; T315-E318 PolarHBondContact O-N 3.15Å; T315-E318 WeakPolarHBondContact OG1-CB 3.38Å; T315-E318 PolarHBondContact OG1-N 2.91Å; F316-E318 PolarHBondContact O-N 3.01Å; E318-R321 PolarHBondContact O-N 3.1Å; E318-R321 IonicContact OE1-CZ 3.82Å; E318-R321 IonicContact OE1-NE 3.36Å; E318-R321 IonicContact OE1-NH2 3.16Å; E318-R321 PolarHBondContact OE1-NH2 2.87Å; E318-R321 IonicContact OE2-CZ 2.6Å; E318-R321 IonicContact OE2-NE 3.55Å; E318-R321 PolarHBondContact OE2-NE 3.38Å; E318-R321 IonicContact OE2-NH2 3.06Å; E318-V322 WeakPolarHBondContact O-CB 3.43Å; E318-V322 VanDerWaalsContact O-CG2 3.23Å; E318-V322 WeakPolarHBondContact O-CG2 3.01Å; E318-V322 PolarHBondContact O-N 3.26Å
319V93.9Very high89.8Confident1 Ų155.2 Ų55.21%0.00626%0.261CS..Hα-helixtrans-67-43.3173174.60000110.9I192 M194 A201 A203 F205 T315 F316 V322 H323I192-V319 HydrophobicContact CB-CG1 3.88Å; I192-V319 HydrophobicContact CG2-CG1 3.97Å; M194-V319 HydrophobicContact CB-CG2 4.47Å; M194-V319 HydrophobicContact CG-CG2 4.01Å; M194-V319 HydrophobicContact SD-CB 4.44Å; M194-V319 HydrophobicContact SD-CG2 3.59Å; M194-V319 VanDerWaalsContact SD-CG2 3.59Å; A201-V319 HydrophobicContact CB-CG2 3.64Å; A203-V319 HydrophobicContact CB-CG1 3.7Å; F205-V319 HydrophobicContact CE2-CG1 3.78Å; F205-V319 HydrophobicContact CZ-CG1 3.96Å; T315-V319 PolarHBondContact O-N 2.97Å; F316-V319 CarbonylContact O-C 3.55Å; F316-V319 WeakPolarHBondContact O-CA 3.48Å; F316-V319 WeakPolarHBondContact O-CB 3.44Å; F316-V319 PolarHBondContact O-N 3.06Å; V319-V322 PolarHBondContact O-N 3.18Å; V319-H323 PolarHBondContact O-N 3.01Å
320Q93Very high89.7Confident57 Ų5756.4 Ų56.427%0.26627%0.266SS..Hα-helixtrans-58-50.5171.2-67.7173.2-69.100111F316 V322 H323 E324F316-Q320 HydrophobicContact CD2-CG 4.17Å; F316-Q320 VanDerWaalsContact CE1-CD 3.5Å; F316-Q320 HydrophobicContact CE1-CG 4.24Å; F316-Q320 HydrophobicContact CE2-CG 3.84Å; F316-Q320 HydrophobicContact CZ-CG 3.88Å; F316-Q320 WeakPolarHBondContact O-CG 3.36Å; F316-Q320 PolarHBondContact O-N 3.05Å; Q320-V322 VanDerWaalsContact C-N 3.27Å; Q320-V322 PolarHBondContact O-N 2.99Å; Q320-H323 CarbonylContact O-C 3.58Å; Q320-H323 WeakPolarHBondContact O-CA 3.27Å; Q320-H323 VanDerWaalsContact O-CB 3.32Å; Q320-H323 WeakPolarHBondContact O-CB 3.4Å; Q320-H323 PolarHBondContact O-N 3.19Å; Q320-E324 WeakPolarHBondContact O-CG 3.35Å; Q320-E324 PolarHBondContact O-N 3.01Å
321R93.3Very high89.5Confident56 Ų5651.9 Ų51.921%0.21123%0.229CC..Hα-helixtrans-60.4-32.2176.3-165.1-15764.171.6-4.2113.8A310 R317 E318 E324 V325A310-R321 PolarHBondContact O-NH2 2.68Å; A310-R321 VanDerWaalsContact O-NH2 3.13Å; R317-R321 VanDerWaalsContact O-CB 3.32Å; R317-R321 WeakPolarHBondContact O-CB 3.36Å; R317-R321 PolarHBondContact O-N 3.31Å; E318-R321 PolarHBondContact O-N 3.1Å; E318-R321 IonicContact OE1-CZ 3.82Å; E318-R321 IonicContact OE1-NE 3.36Å; E318-R321 IonicContact OE1-NH2 3.16Å; E318-R321 PolarHBondContact OE1-NH2 2.87Å; E318-R321 IonicContact OE2-CZ 2.6Å; E318-R321 IonicContact OE2-NE 3.55Å; E318-R321 PolarHBondContact OE2-NE 3.38Å; E318-R321 IonicContact OE2-NH2 3.06Å; R321-E324 WeakPolarHBondContact CA-OE2 3.06Å; R321-V325 WeakPolarHBondContact O-CB 3.5Å; R321-V325 VanDerWaalsContact O-CG2 3.28Å; R321-V325 WeakPolarHBondContact O-CG2 3.49Å; R321-V325 PolarHBondContact O-N 2.62Å; R321-V325 VanDerWaalsContact O-N 3.15Å
322V91.3Very high89.1Confident0 Ų051.2 Ų51.20%022%0.223CC..Hα-helixtrans-69.6-44172.7164.30000110.3I192 M194 L307 I309 T311 E318 V319 Q320 V325 L326I192-V322 HydrophobicContact CD1-CG1 4.12Å; I192-V322 HydrophobicContact CG2-CG1 4.04Å; M194-V322 HydrophobicContact CE-CG2 4.32Å; M194-V322 HydrophobicContact SD-CG2 4.08Å; L307-V322 HydrophobicContact CD1-CG1 3.57Å; L307-V322 HydrophobicContact CD1-CG2 4.15Å; L307-V322 HydrophobicContact CD2-CG1 3.69Å; L307-V322 HydrophobicContact CG-CG1 4.31Å; I309-V322 HydrophobicContact CD1-CB 4.42Å; I309-V322 HydrophobicContact CD1-CG1 4.27Å; I309-V322 HydrophobicContact CD1-CG2 4.1Å; T311-V322 HydrophobicContact CG2-CG2 4.28Å; E318-V322 WeakPolarHBondContact O-CB 3.43Å; E318-V322 VanDerWaalsContact O-CG2 3.23Å; E318-V322 WeakPolarHBondContact O-CG2 3.01Å; E318-V322 PolarHBondContact O-N 3.26Å; V319-V322 PolarHBondContact O-N 3.18Å; Q320-V322 VanDerWaalsContact C-N 3.27Å; Q320-V322 PolarHBondContact O-N 2.99Å; V322-V325 PolarHBondContact O-N 3.09Å; V322-L326 HydrophobicContact CG1-CD1 4.07Å; V322-L326 WeakPolarHBondContact O-CB 3.28Å; V322-L326 WeakPolarHBondContact O-CG 3.49Å; V322-L326 PolarHBondContact O-N 2.83Å
323H92.2Very high88.4Confident8 Ų843.1 Ų43.14%0.03720%0.2CC..Hα-helixtrans-61.1-48.1176.3-176.9-96.9000112.3F11 W190 I192 F205 G207 V319 Q320 V325 L326 S327F11-H323 AromaticContact CE2-CE1 3.74Å; F11-H323 AromaticContact CE2-NE2 3.79Å; F11-H323 AromaticContact CZ-NE2 3.73Å; W190-H323 AromaticContact CE3-CD2 3.83Å; W190-H323 AromaticContact CE3-NE2 3.76Å; I192-H323 HydrophobicContact CD1-CB 3.72Å; F205-H323 HydrophobicContact CD1-CB 4.22Å; F205-H323 AromaticContact CD1-CD2 3.71Å; F205-H323 AromaticContact CD1-CE1 3.84Å; F205-H323 AromaticContact CD1-CG 3.56Å; F205-H323 AromaticContact CD1-ND1 3.64Å; F205-H323 AromaticContact CD1-NE2 3.92Å; F205-H323 HydrophobicContact CD2-CB 4.39Å; F205-H323 AromaticContact CD2-CD2 3.72Å; F205-H323 HydrophobicContact CE1-CB 3.69Å; F205-H323 AromaticContact CE1-CG 3.52Å; F205-H323 AromaticContact CE1-ND1 3.77Å; F205-H323 HydrophobicContact CE2-CB 3.89Å; F205-H323 AromaticContact CG-CD2 3.51Å; F205-H323 AromaticContact CG-CG 3.83Å; F205-H323 AromaticContact CG-NE2 3.8Å; F205-H323 HydrophobicContact CZ-CB 3.51Å; F205-H323 AromaticContact CZ-CG 3.79Å; G207-H323 PolarHBondContact O-CE1 3.48Å; G207-H323 PolarHBondContact O-NE2 2.94Å; V319-H323 PolarHBondContact O-N 3.01Å; Q320-H323 CarbonylContact O-C 3.58Å; Q320-H323 WeakPolarHBondContact O-CA 3.27Å; Q320-H323 VanDerWaalsContact O-CB 3.32Å; Q320-H323 WeakPolarHBondContact O-CB 3.4Å; Q320-H323 PolarHBondContact O-N 3.19Å; H323-V325 PolarHBondContact O-N 3.11Å; H323-L326 PolarHBondContact O-N 2.85Å; H323-S327 WeakPolarHBondContact O-CB 3.49Å; H323-S327 PolarHBondContact O-N 3.26Å; H323-S327 PolarHBondContact O-OG 3.02Å
324E89.5Confident87.5Confident101 Ų10141.4 Ų41.447%0.47220%0.197SC..Hα-helixtrans-52.7-55.7172.9-70.3155.6-15300110.8Q320 R321 L326 S327 T328Q320-E324 WeakPolarHBondContact O-CG 3.35Å; Q320-E324 PolarHBondContact O-N 3.01Å; R321-E324 WeakPolarHBondContact CA-OE2 3.06Å; E324-L326 VanDerWaalsContact C-N 3.29Å; E324-L326 PolarHBondContact O-N 3.25Å; E324-S327 CarbonylContact O-C 3.5Å; E324-S327 PolarHBondContact O-N 2.98Å; E324-S327 VanDerWaalsContact O-N 3.11Å; E324-S327 PolarHBondContact O-OG 2.94Å; E324-T328 WeakPolarHBondContact O-CG2 3.2Å; E324-T328 PolarHBondContact O-N 2.89Å; E324-T328 PolarHBondContact O-OG1 3.01Å
325V88.9Confident86Confident38 Ų3849 Ų4923%0.2324%0.236CC..Hα-helixtrans-64.7-29.6-177.2169.70000113.3Y162 I309 R321 V322 H323 T328Y162-V325 WeakPolarHBondContact CD2-O 3.23Å; Y162-V325 HydrophobicContact CE2-CG1 3.81Å; Y162-V325 VanDerWaalsContact CE2-O 3.23Å; Y162-V325 WeakPolarHBondContact CE2-O 3.39Å; I309-V325 HydrophobicContact CD1-CB 4.18Å; I309-V325 HydrophobicContact CD1-CG1 3.85Å; I309-V325 HydrophobicContact CG2-CG1 4.17Å; R321-V325 WeakPolarHBondContact O-CB 3.5Å; R321-V325 VanDerWaalsContact O-CG2 3.28Å; R321-V325 WeakPolarHBondContact O-CG2 3.49Å; R321-V325 PolarHBondContact O-N 2.62Å; R321-V325 VanDerWaalsContact O-N 3.15Å; V322-V325 PolarHBondContact O-N 3.09Å; H323-V325 PolarHBondContact O-N 3.11Å; V325-T328 PolarHBondContact O-OG1 3.01Å; V325-T328 VanDerWaalsContact O-OG1 3.11Å
326L87.4Confident84.5Confident1 Ų147.3 Ų47.31%0.00523%0.228CC..Hα-helixtrans-76.9-32.1173.9-73.9177.2000113.3Y162 C164 W190 F278 L307 V322 H323 E324Y162-L326 HydrophobicContact CD2-CD2 4.46Å; Y162-L326 HydrophobicContact CG-CD2 4.33Å; C164-L326 VanDerWaalsContact SG-CD2 3.59Å; W190-L326 HydrophobicContact CZ3-CB 3.98Å; F278-L326 HydrophobicContact CD1-CD1 3.81Å; F278-L326 HydrophobicContact CD2-CD1 4.21Å; F278-L326 HydrophobicContact CE1-CD1 3.77Å; F278-L326 HydrophobicContact CE2-CD1 4.18Å; F278-L326 HydrophobicContact CG-CD1 4.02Å; F278-L326 HydrophobicContact CZ-CD1 3.96Å; L307-L326 HydrophobicContact CD2-CD1 3.71Å; V322-L326 HydrophobicContact CG1-CD1 4.07Å; V322-L326 WeakPolarHBondContact O-CB 3.28Å; V322-L326 WeakPolarHBondContact O-CG 3.49Å; V322-L326 PolarHBondContact O-N 2.83Å; H323-L326 PolarHBondContact O-N 2.85Å; E324-L326 VanDerWaalsContact C-N 3.29Å; E324-L326 PolarHBondContact O-N 3.25Å
327S86.8Confident83Confident8 Ų849.5 Ų49.56%0.05624%0.243CC..Hα-helixtrans-90.8-14.3-179.458.30000113.8S9 I10 F11 H323 E324S9-S327 CarbonylContact C-O 3.5Å; S9-S327 WeakPolarHBondContact CA-O 3.26Å; I10-S327 PolarHBondContact N-O 3.03Å; F11-S327 VanDerWaalsContact CE2-CB 3.47Å; H323-S327 WeakPolarHBondContact O-CB 3.49Å; H323-S327 PolarHBondContact O-N 3.26Å; H323-S327 PolarHBondContact O-OG 3.02Å; E324-S327 CarbonylContact O-C 3.5Å; E324-S327 PolarHBondContact O-N 2.98Å; E324-S327 VanDerWaalsContact O-N 3.11Å; E324-S327 PolarHBondContact O-OG 2.94Å
328T84.8Confident81.4Confident48 Ų4840.1 Ų40.129%0.29421%0.208SC..EExtended strand (participates in β ladder)trans-72125.8170.448.60000112.1E324 V325E324-T328 WeakPolarHBondContact O-CG2 3.2Å; E324-T328 PolarHBondContact O-N 2.89Å; E324-T328 PolarHBondContact O-OG1 3.01Å; V325-T328 PolarHBondContact O-OG1 3.01Å; V325-T328 VanDerWaalsContact O-OG1 3.11Å
329V84.4Confident79.7Confident1 Ų143.3 Ų43.31%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-100.4125.1170.6178.70000107.5L7 R8 I10 L13 L159 I161L7-V329 WeakPolarHBondContact CA-O 3.3Å; R8-V329 PolarHBondContact N-O 3.37Å; R8-V329 PolarHBondContact O-N 3.44Å; I10-V329 HydrophobicContact CB-CG2 3.87Å; I10-V329 HydrophobicContact CG1-CG2 4.27Å; L13-V329 HydrophobicContact CD1-CG1 4.29Å; L13-V329 HydrophobicContact CD1-CG2 3.82Å; L13-V329 HydrophobicContact CG-CG2 4.34Å; L159-V329 HydrophobicContact CB-CG1 4.11Å; L159-V329 HydrophobicContact CD2-CG1 4.2Å; I161-V329 HydrophobicContact CD1-CG1 4.22Å; I161-V329 HydrophobicContact CD1-CG2 4.07Å; I161-V329 HydrophobicContact CG1-CB 4.48Å; I161-V329 HydrophobicContact CG1-CG1 3.94Å; I161-V329 HydrophobicContact CG1-CG2 4.08Å
330Q81.3Confident77.8Confident47 Ų4745.7 Ų45.722%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-94.1121.5-179.8-57.3-165.6-79.100110.3L7 S160 Y332L7-Q330 HydrophobicContact CD2-CB 4.42Å; L7-Q330 HydrophobicContact CD2-CG 3.91Å; S160-Q330 PolarHBondContact N-O 3.35Å; S160-Q330 PolarHBondContact O-N 3.26Å; S160-Q330 VanDerWaalsContact O-N 3.12Å; Q330-Y332 HydrophobicContact CB-CE2 3.82Å
331V81.4Confident76.2Confident0 Ų044.7 Ų44.70%025%0.249CC..EExtended strand (participates in β ladder)trans-95.2136.4177.3-166.70000109.6C4 T5 D6 R8 E157 L159C4-V331 PolarHBondContact SG-O 2.76Å; T5-V331 PolarHBondContact N-O 3.24Å; T5-V331 VanDerWaalsContact N-O 3.09Å; T5-V331 PolarHBondContact OG1-O 3.15Å; D6-V331 HydrophobicContact CB-CB 3.97Å; D6-V331 HydrophobicContact CB-CG2 3.9Å; D6-V331 PolarHBondContact O-N 3.15Å; R8-V331 HydrophobicContact CG-CG2 4.18Å; E157-V331 HydrophobicContact CB-CG1 4.29Å; L159-V331 HydrophobicContact CD2-CB 4.31Å; L159-V331 HydrophobicContact CD2-CG1 4.08Å; L159-V331 HydrophobicContact CD2-CG2 3.8Å
332Y79.3Confident74.3Confident17 Ų1744.1 Ų44.17%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-128134.5172.7-58.1-92.5000109.6C4 Y158 Q330 M338 V341C4-Y332 HydrophobicContact CB-CD1 4.27Å; C4-Y332 HydrophobicContact CB-CE1 3.87Å; Y158-Y332 PolarHBondContact N-O 3.49Å; Y158-Y332 PolarHBondContact O-N 3.04Å; Q330-Y332 HydrophobicContact CB-CE2 3.82Å; Y332-M338 HydrophobicContact CD2-CE 4.32Å; Y332-M338 HydrophobicContact CD2-SD 4.34Å; Y332-M338 HydrophobicContact CG-SD 4.19Å; Y332-V341 HydrophobicContact CE1-CG2 4.16Å; Y332-V341 HydrophobicContact CE2-CG2 4.33Å
333G74.6Confident72Confident23 Ų2347.5 Ų47.524%0.23727%0.271CS..  trans-64.5165.9174.400000113.3D335 A336G333-D335 VanDerWaalsContact C-N 3.26Å; G333-D335 PolarHBondContact O-N 3.25Å; G333-A336 WeakPolarHBondContact O-CB 3.45Å; G333-A336 PolarHBondContact O-N 3.05Å
334K67.9Low69.4Low132 Ų13252.3 Ų52.357%0.57430%0.303SS*.THydrogen-bonded Turntrans-50.4-41.6-174.7-66.1172.6179.61740113.9A155 A336A155-K334 WeakPolarHBondContact O-CE 3.48Å; A155-K334 PolarHBondContact O-NZ 3.33Å; K334-A336 VanDerWaalsContact C-N 3.33Å; K334-A336 PolarHBondContact O-N 3.42Å
335D60.2Low66.8Low165 Ų16551.9 Ų51.988%0.88231%0.311SS*.THydrogen-bonded Turntrans-92.815.4-170.5-43.7-70.5000113.5G333G333-D335 VanDerWaalsContact C-N 3.26Å; G333-D335 PolarHBondContact O-N 3.25Å
336A63.1Low64.2Low23 Ų2360 Ų6019%0.1934%0.343CS..  trans-78.8127.7-179.200000112.3G333 K334 M338G333-A336 WeakPolarHBondContact O-CB 3.45Å; G333-A336 PolarHBondContact O-N 3.05Å; K334-A336 VanDerWaalsContact C-N 3.33Å; K334-A336 PolarHBondContact O-N 3.42Å; A336-M338 PolarHBondContact O-N 2.95Å
337D61.5Low61.5Low95 Ų9565.4 Ų65.451%0.50838%0.377SS..  trans-67.197.9170.817328.2000111.4T2 S339T2-D337 VanDerWaalsContact CG2-O 3.23Å; T2-D337 WeakPolarHBondContact CG2-O 3.33Å; D337-S339 PolarHBondContact O-N 2.76Å; D337-S339 WeakPolarHBondContact OD1-CB 3.46Å; D337-S339 PolarHBondContact OD1-N 3.37Å; D337-S339 PolarHBondContact OD1-OG 3.25Å
338M60.3Low58.7Low16 Ų1668.9 Ų68.98%0.07941%0.406CS..THydrogen-bonded Turntrans-70.9-12.4-179.8-63-60.5-78.200113.3V150 Y158 Y332 A336 A340 V341 F342V150-M338 HydrophobicContact CB-CE 4.48Å; V150-M338 HydrophobicContact CG1-CE 3.67Å; V150-M338 HydrophobicContact CG2-CE 3.94Å; Y158-M338 HydrophobicContact CD2-CG 4.05Å; Y158-M338 HydrophobicContact CD2-SD 4.05Å; Y158-M338 HydrophobicContact CE2-CG 4.27Å; Y158-M338 HydrophobicContact CG-CE 4.04Å; Y158-M338 HydrophobicContact CG-CG 4.35Å; Y158-M338 HydrophobicContact CG-SD 4.18Å; Y332-M338 HydrophobicContact CD2-CE 4.32Å; Y332-M338 HydrophobicContact CD2-SD 4.34Å; Y332-M338 HydrophobicContact CG-SD 4.19Å; A336-M338 PolarHBondContact O-N 2.95Å; M338-A340 PolarHBondContact O-N 3.08Å; M338-V341 HydrophobicContact CE-CG2 4.31Å; M338-V341 WeakPolarHBondContact O-CA 3.36Å; M338-V341 WeakPolarHBondContact O-CB 3.36Å; M338-V341 PolarHBondContact O-N 2.8Å; M338-V341 HydrophobicContact SD-CG2 4.15Å; M338-F342 HydrophobicContact CB-CD2 4.35Å; M338-F342 HydrophobicContact CB-CE2 3.95Å; M338-F342 WeakPolarHBondContact O-CD2 3.41Å; M338-F342 PolarHBondContact O-N 3.14Å
339S57.9Low55.9Low72 Ų7278.5 Ų78.550%0.50344%0.437SS..Hα-helixtrans-57.4-34.1178.8-45.10000112.1D337 V341 S343D337-S339 PolarHBondContact O-N 2.76Å; D337-S339 WeakPolarHBondContact OD1-CB 3.46Å; D337-S339 PolarHBondContact OD1-N 3.37Å; D337-S339 PolarHBondContact OD1-OG 3.25Å; S339-V341 VanDerWaalsContact C-N 3.33Å; S339-S343 VanDerWaalsContact O-CB 3.26Å; S339-S343 WeakPolarHBondContact O-CB 3.29Å; S339-S343 PolarHBondContact O-N 2.76Å; S339-S343 VanDerWaalsContact O-N 3.11Å; S339-S343 PolarHBondContact O-OG 2.97Å
340A55.7Low53.2Low52 Ų5288 Ų8843%0.4348%0.478SS..Hα-helixtrans-72.2-20.4175.200000114.1T2 M338T2-A340 HydrophobicContact CG2-CB 4.17Å; M338-A340 PolarHBondContact O-N 3.08Å
341V57.9Low50.8Low36 Ų3695.2 Ų95.222%0.21851%0.509CS..Hα-helixtrans-82.7-38.1177.3-176.20000110.8Y332 M338 S339Y332-V341 HydrophobicContact CE1-CG2 4.16Å; Y332-V341 HydrophobicContact CE2-CG2 4.33Å; M338-V341 HydrophobicContact CE-CG2 4.31Å; M338-V341 WeakPolarHBondContact O-CA 3.36Å; M338-V341 WeakPolarHBondContact O-CB 3.36Å; M338-V341 PolarHBondContact O-N 2.8Å; M338-V341 HydrophobicContact SD-CG2 4.15Å; S339-V341 VanDerWaalsContact C-N 3.33Å
342F54Low48.3Very low44 Ų44104.7 Ų104.719%0.19355%0.55CS.*Hα-helixtrans-75.8-32.2176.2-64.6-67.8000112.9N26 H146 V150 M338 P344N26-F342 WeakPolarHBondContact OD1-CE1 3.47Å; H146-F342 PolarHBondContact CE1-O 2.67Å; H146-F342 PolarHBondContact ND1-O 3.22Å; H146-F342 VanDerWaalsContact ND1-O 3.12Å; V150-F342 HydrophobicContact CB-CZ 4.21Å; V150-F342 HydrophobicContact CG2-CE1 4.01Å; V150-F342 HydrophobicContact CG2-CZ 3.79Å; M338-F342 HydrophobicContact CB-CD2 4.35Å; M338-F342 HydrophobicContact CB-CE2 3.95Å; M338-F342 WeakPolarHBondContact O-CD2 3.41Å; M338-F342 PolarHBondContact O-N 3.14Å; F342-P344 WeakPolarHBondContact O-CD 3.31Å
343S44Very low46Very low70 Ų70109.9 Ų109.949%0.4959%0.586SS.*SBendtrans-74.9119.3-175.8-66.10000113.4S339 S345S339-S343 VanDerWaalsContact O-CB 3.26Å; S339-S343 WeakPolarHBondContact O-CB 3.29Å; S339-S343 PolarHBondContact O-N 2.76Å; S339-S343 VanDerWaalsContact O-N 3.11Å; S339-S343 PolarHBondContact O-OG 2.97Å; S343-S345 VanDerWaalsContact C-N 3.25Å; S343-S345 PolarHBondContact O-N 2.86Å
344P37.1Very low43.7Very low110 Ų110118.6 Ų118.671%0.71462%0.618SS**  trans-76.773.4176.733-35.8000111.3F342 K346F342-P344 WeakPolarHBondContact O-CD 3.31Å; P344-K346 PolarHBondContact O-N 2.74Å
345S34.4Very low41.7Very low92 Ų92116.7 Ų116.764%0.64363%0.626SS**  trans-59.1119.1-179.361.20000111.5S343 T347S343-S345 VanDerWaalsContact C-N 3.25Å; S343-S345 PolarHBondContact O-N 2.86Å; S345-T347 VanDerWaalsContact C-N 3.33Å; S345-T347 PolarHBondContact O-N 3.11Å
346K33.7Very low40.1Very low207 Ų207113.5 Ų113.590%0.962%0.623SS**  trans-71.188174.4-69178.9-177.2172.80109P344 A348P344-K346 PolarHBondContact O-N 2.74Å; K346-A348 PolarHBondContact O-N 2.82Å
347T32.5Very low38.5Very low115 Ų115117.4 Ų117.471%0.70666%0.655SS**  trans-69.178.2174.343.20000111.1S345 W349S345-T347 VanDerWaalsContact C-N 3.33Å; S345-T347 PolarHBondContact O-N 3.11Å; T347-W349 PolarHBondContact O-N 3.16Å
348A27.2Very low37Very low82 Ų82121.9 Ų121.968%0.67867%0.673SS**  trans-54.2126.5173.400000110K346 K350K346-A348 PolarHBondContact O-N 2.82Å; A348-K350 VanDerWaalsContact C-N 3.32Å; A348-K350 PolarHBondContact O-N 3.12Å
349W25.6Very low35.3Very low250 Ų250130.7 Ų130.795%0.94771%0.711SS**  trans-67.584.7-178.4-72.5-11.9000111.8T347 K351T347-W349 PolarHBondContact O-N 3.16Å; W349-K351 PolarHBondContact O-N 3.47Å; W349-K351 VanDerWaalsContact O-N 3.1Å
350K28.8Very low33.8Very low199 Ų199135.3 Ų135.387%0.86573%0.728SS**  trans-63.9109.2165.6-68.3-168.2177.7-173.90108.6A348 K352A348-K350 VanDerWaalsContact C-N 3.32Å; A348-K350 PolarHBondContact O-N 3.12Å; K350-K352 PolarHBondContact O-N 3.4Å
351K29.2Very low32.3Very low200 Ų200139.1 Ų139.187%0.8775%0.746SS**PPolyproline II helixtrans-58.2120.3169.6-66.6177.8-178.4174.20108.2W349W349-K351 PolarHBondContact O-N 3.47Å; W349-K351 VanDerWaalsContact O-N 3.1Å
352K30.1Very low30.7Very low199 Ų199140.3 Ų140.387%0.86577%0.766SS**PPolyproline II helixtrans-68129.8168.3-72.6-169.8175.2-172.60108.7K350K350-K352 PolarHBondContact O-N 3.4Å
353P31.2Very low29.4Very low126 Ų126147.2 Ų147.282%0.81880%0.799SS**PPolyproline II helixtrans-64.7149.6165.529-33.3000109.6A355P353-A355 PolarHBondContact O-N 3.49Å
354K24.5Very low28.5Very low206 Ų206151.9 Ų151.990%0.89681%0.813SS**  trans-86.7109.2-178.7-171.6-177.1-178.9-172.20109.1
355A27.3Very low28Very low92 Ų92155.8 Ų155.876%0.7682%0.818SS**PPolyproline II helixtrans-64.1149.8173.300000111.1P353P353-A355 PolarHBondContact O-N 3.49Å
356A26.5Very low27.5Very low98 Ų98158.6 Ų158.681%0.8183%0.826SS**PPolyproline II helixtrans-74.2146.4178.200000111.4
357A28.3Very low27.1Very low104 Ų104153.8 Ų153.886%0.8681%0.814SS**PPolyproline II helixtrans-83.5126.717000000109.5
358Q30.7Very low26.7Very low190 Ų190155.2 Ų155.289%0.88882%0.816SS**PPolyproline II helixtrans-88.8147.9168.4-73177.1-38.100109.9
359K25.2Very low26.5Very low200 Ų200158.8 Ų158.887%0.8782%0.824SS**PPolyproline II helixtrans-76.3145.4172.4-68.3-179.7175.2-177.20110.1
360I26.9Very low26.6Very low170 Ų170150.9 Ų150.987%0.87281%0.811SS**  trans-131.9134.5150.1-64.4-177.1000107.4
361T22.8Very low26.6Very low132 Ų132147.7 Ų147.781%0.8181%0.811SS**  trans-97.1155169.945.10000109
362G25.2Very low26.3Very low61 Ų61141.3 Ų141.363%0.62980%0.802SS**  cis177.6-1651.600000108.3
363E25.5Very low26Very low189 Ų189140.7 Ų140.788%0.88380%0.802SS**  trans63.7151.7163.3-69.4159.3-151.700117.9
364E26.7Very low25.7Very low168 Ų168142.9 Ų142.979%0.78580%0.801SS**  cis-162.7177.9-33.8-140.1178.7-140.400110
365K25.3Very low25.6Very low191 Ų191140 Ų14083%0.8380%0.795SS**  trans74.6122.9177.8-53.1174-175.3175.50115.6
366D23.6Very low25.3Very low152 Ų152143.1 Ų143.181%0.81380%0.8SS**  cis98155.617.6-160.525.8000115.8
367V25.4Very low25.1Very low106 Ų106146.6 Ų146.664%0.64280%0.799SS**  trans95.790.4165.8-170.90000119.6
368L24.6Very low24.7Very low144 Ų144147.3 Ų147.375%0.75480%0.797SS**  trans74125.6130.6-56.4179.4000126.2
369L24Very low24.3Very low158 Ų158142.9 Ų142.983%0.82779%0.788SS**  65.6147.4125.5-62.4172.7000124.8
370A26.2Very low24.3Very low84 Ų84140.1 Ų140.169%0.69478%0.783SS**  trans-102.3160.9162.900000110.7
371P29.3Very low24.3Very low132 Ų132141.5 Ų141.586%0.85779%0.785SS**  -113.7-165.785.5-8.929.9000113.6
372G22.6Very low24.5Very low65 Ų65144.6 Ų144.667%0.6779%0.791SS**  cis141.7165.1-5.800000113.8
373E24.6Very low24.6Very low186 Ų186145.2 Ų145.287%0.86980%0.797SS**  trans62.2170.7170.4-65169.3-151.700117.7
374E23.9Very low24.9Very low173 Ų173146 Ų14681%0.80880%0.801SS**  -151.8175.4-70.8-122.6-180-124.700111.4
375N22.5Very low24.9Very low144 Ų144146 Ų14677%0.7780%0.801SS**  trans-42.7148.4-166.8-49.7-63.2000120.3
376N22.3Very low25.2Very low159 Ų159144.5 Ų144.585%0.8580%0.8SS**  -160.2166.2125.9-145.6-6.4000113.9
377E21Very low25.3Very low171 Ų171145.5 Ų145.580%0.79980%0.8SS**  trans-104.8155.6-170.2-55.6171.5103.700114.6
378S20.6Very low25.6Very low118 Ų118148 Ų14883%0.82581%0.808SS**  158.7147.9121.752.30000116.4
379S22.9Very low25.7Very low98 Ų98149.1 Ų149.169%0.68581%0.81SS**  trans51.6114.7160.1-77.60000124.7
380D23.8Very low25.9Very low142 Ų142150 Ų15076%0.75981%0.812SS**  50.1114.1114.7-40.8-48.9000121.1
381E27.3Very low26.1Very low198 Ų198150.4 Ų150.493%0.92581%0.806SS**  -166.3-175.791.1-113.2-174.6-156.100112
382E27.8Very low26Very low198 Ų198151.9 Ų151.993%0.92580%0.801SS**  trans-78.4152.8-160.5-57.8-172.4146.300116.7
383G27.4Very low26.4Very low74 Ų74155.5 Ų155.576%0.76380%0.804SS**  trans-178.9105.2168.300000113.3E385G383-E385 PolarHBondContact O-N 3.22Å
384E32.1Very low26.7Very low205 Ų205151.8 Ų151.896%0.95880%0.795SS**  trans-74.7108.7176.8-67-170.8126.100111.8
385E26.2Very low27.4Very low169 Ų169150.3 Ų150.379%0.7979%0.791SS**  trans-130.9116.5166.1-163.6172.6-126.200111.2G383 Q387G383-E385 PolarHBondContact O-N 3.22Å; E385-Q387 PolarHBondContact O-N 2.66Å
386I30.6Very low28.1Very low159 Ų159145.7 Ų145.782%0.81578%0.777SS**  trans-78.686.2-174.6-57.1177.3000109.9L388I386-L388 PolarHBondContact O-N 3.49Å
387Q26.4Very low28.8Very low173 Ų173145.2 Ų145.281%0.80878%0.78SS**  trans-78.2103.1178.7-158.4169.610200110.8E385 E389E385-Q387 PolarHBondContact O-N 2.66Å; Q387-E389 PolarHBondContact O-N 2.86Å; Q387-E389 VanDerWaalsContact O-N 3.15Å
388L30.8Very low29.5Very low157 Ų157142.9 Ų142.982%0.82277%0.773SS**  trans-71106179.3-75.5172.9000111.6I386 M390I386-L388 PolarHBondContact O-N 3.49Å; L388-M390 PolarHBondContact O-N 3.35Å
389E27.1Very low30.2Very low168 Ų168143.7 Ų143.779%0.78577%0.768SS**  trans-59.5125179.5-170.6-173.6170.900112.7Q387 V391Q387-E389 PolarHBondContact O-N 2.86Å; Q387-E389 VanDerWaalsContact O-N 3.15Å; E389-V391 VanDerWaalsContact C-N 3.31Å; E389-V391 HydrophobicContact CG-CG2 4.19Å; E389-V391 PolarHBondContact O-N 3.09Å
390M28.5Very low30.8Very low178 Ų178145 Ų14588%0.87777%0.766SS**  trans-76.476.7172.8-80.1-178.545.700111.9L388 E392L388-M390 PolarHBondContact O-N 3.35Å; M390-E392 VanDerWaalsContact C-N 3.34Å; M390-E392 PolarHBondContact O-N 3.31Å
391V30.6Very low31.5Very low92 Ų92140.4 Ų140.456%0.55874%0.738SS**  trans-69.590.5167.9-171.40000109.3E389 L393E389-V391 VanDerWaalsContact C-N 3.31Å; E389-V391 HydrophobicContact CG-CG2 4.19Å; E389-V391 PolarHBondContact O-N 3.09Å; V391-L393 VanDerWaalsContact C-N 3.26Å; V391-L393 HydrophobicContact CG1-CD2 3.87Å; V391-L393 HydrophobicContact CG1-CG 3.9Å; V391-L393 PolarHBondContact O-N 3.19Å
392E26.8Very low31.9Very low162 Ų162136.9 Ų136.976%0.75772%0.722SS**  trans-70.880.6176.6-163.8-175.4-161.900110.7M390 T394M390-E392 VanDerWaalsContact C-N 3.34Å; M390-E392 PolarHBondContact O-N 3.31Å; E392-T394 HydrophobicContact CG-CG2 4.02Å; E392-T394 PolarHBondContact O-N 3.18Å
393L31.3Very low32.3Very low141 Ų141134.6 Ų134.674%0.73871%0.711SS**  trans-69.475.1172.9-68.7-179.2000111V391 I395V391-L393 VanDerWaalsContact C-N 3.26Å; V391-L393 HydrophobicContact CG1-CD2 3.87Å; V391-L393 HydrophobicContact CG1-CG 3.9Å; V391-L393 PolarHBondContact O-N 3.19Å; L393-I395 VanDerWaalsContact C-N 3.32Å; L393-I395 PolarHBondContact O-N 2.99Å
394T31.5Very low32.6Very low109 Ų109137.5 Ų137.567%0.66970%0.704SS**  trans-64.693.8163.360.70000108.4E392 G396E392-T394 HydrophobicContact CG-CG2 4.02Å; E392-T394 PolarHBondContact O-N 3.18Å; T394-G396 VanDerWaalsContact C-N 3.32Å; T394-G396 PolarHBondContact O-N 3.15Å
395I38.1Very low32.6Very low142 Ų142136 Ų13673%0.72870%0.699SS**  trans-63.993.8177.3-58177.3000108.7L393L393-I395 VanDerWaalsContact C-N 3.32Å; L393-I395 PolarHBondContact O-N 2.99Å
396G36.3Very low32.7Very low47 Ų47135.2 Ų135.249%0.48570%0.695SS.*  trans-61.9157.1173.600000111T394 L398T394-G396 VanDerWaalsContact C-N 3.32Å; T394-G396 PolarHBondContact O-N 3.15Å; G396-L398 PolarHBondContact O-N 3.15Å
397T38.3Very low32.7Very low148 Ų148133.4 Ų133.491%0.90869%0.694SS**THydrogen-bonded Turntrans-78.161.5-172.961.30000112.9
398L35.5Very low32.9Very low123 Ų123130.4 Ų130.464%0.64469%0.692SS**THydrogen-bonded Turntrans-107.1-30.2178.2-87.5161.9000113.2G396 L400G396-L398 PolarHBondContact O-N 3.15Å; L398-L400 VanDerWaalsContact C-N 3.27Å; L398-L400 PolarHBondContact O-N 3.31Å
399D35.3Very low32.9Very low135 Ų135134.7 Ų134.772%0.72270%0.698SS**  trans-85.849.4-175.2-57.8-51.7000114.5
400L35.1Very low33.1Very low125 Ų125138 Ų13865%0.65470%0.703SS**  trans-128.776.9168.2-76.3179.4000110.1L398L398-L400 VanDerWaalsContact C-N 3.27Å; L398-L400 PolarHBondContact O-N 3.31Å
401R38.4Very low33.3Very low46 Ų46141.3 Ų141.317%0.17471%0.706CS.*  trans-146.353.6-173.7-153.677.5-148-46.94.4114.7E637 Q640 K644R401-E637 IonicContact CZ-OE1 3.69Å; R401-E637 IonicContact NE-OE1 3.76Å; R401-E637 PolarHBondContact NE-OE1 3.24Å; R401-E637 VanDerWaalsContact NE-OE1 3.14Å; R401-E637 PolarHBondContact NH1-O 3.13Å; R401-E637 VanDerWaalsContact NH2-CB 3.3Å; R401-E637 PolarHBondContact NH2-O 3.16Å; R401-E637 IonicContact NH2-OE1 2.99Å; R401-E637 PolarHBondContact NH2-OE1 3.07Å; R401-Q640 HydrophobicContact CG-CB 4.12Å; R401-K644 WeakPolarHBondContact O-CD 3.31Å
402E37Very low33.2Very low123 Ų123146.5 Ų146.558%0.57572%0.721SS**SBendtrans-133.5133.9171.4-73.3179.1-153.400111K644E402-K644 HydrophobicContact CG-CD 3.99Å; E402-K644 IonicContact OE1-NZ 2.72Å; E402-K644 PolarHBondContact OE1-NZ 3.4Å
403H35Very low33.3Very low150 Ų150150.6 Ų150.669%0.69473%0.729SS**  trans61.168168.2-61.589.6000118.6M405H403-M405 PolarHBondContact O-N 3.49Å
404E32.8Very low33.1Very low135 Ų135155.3 Ų155.363%0.63174%0.737SS**  trans-75.7110.4153.8-81.4-152142.600111.8
405M32.4Very low33Very low173 Ų173162.3 Ų162.385%0.85275%0.751SS**PPolyproline II helixtrans-79130.3165.7-71.5-71.2-81.400111H403 P407H403-M405 PolarHBondContact O-N 3.49Å; M405-P407 WeakPolarHBondContact O-CD 3.48Å
406H29.7Very low32.5Very low153 Ų153164.8 Ų164.871%0.70876%0.757SS**PPolyproline II helixtrans-78.8126.4-176.6-71.9-26.5000113.5
407P30.7Very low32.1Very low122 Ų122170.2 Ų170.279%0.79277%0.767SS**PPolyproline II helixtrans-70136.1170.4-17.231.5000111.9M405M405-P407 WeakPolarHBondContact O-CD 3.48Å
408S29.6Very low31.5Very low110 Ų110173 Ų17377%0.76977%0.766SS**PPolyproline II helixtrans-70.7140.9179.265.70000112.8R410S408-R410 PolarHBondContact O-N 2.82Å
409R31.3Very low31Very low246 Ų246173.5 Ų173.593%0.92877%0.766SS**  trans-73.191.3-177.4-74.1176.4165.5178.8-5111.6R411R409-R411 PolarHBondContact O-N 3.19Å
410R30.7Very low30.5Very low237 Ų237176.7 Ų176.789%0.89478%0.776SS**  trans-64.5104.8164.4-78.6-166173.1-145.1-3.2110.3S408 K412S408-R410 PolarHBondContact O-N 2.82Å; R410-K412 PolarHBondContact O-N 2.9Å; R410-K412 VanDerWaalsContact O-N 3.14Å
411R32.5Very low30.1Very low248 Ų248174.6 Ų174.694%0.93678%0.784SS**  trans-56.5111.1169-79176.8164173.6-6.3109.5R409 R413R409-R411 PolarHBondContact O-N 3.19Å; R411-R413 PolarHBondContact O-N 3.16Å
412K29.8Very low29.4Very low201 Ų201181.6 Ų181.687%0.87482%0.816SS**PPolyproline II helixtrans-70.5117.8164.9-77.9-169.9173.3-173.10108.6R410 R414R410-K412 PolarHBondContact O-N 2.9Å; R410-K412 VanDerWaalsContact O-N 3.14Å; K412-R414 PolarHBondContact O-N 3Å
413R27.8Very low28.9Very low249 Ų249182.6 Ų182.694%0.9483%0.825SS**PPolyproline II helixtrans-58.4122166.8-81.1179164.6173.1-6.2108.4R411R411-R413 PolarHBondContact O-N 3.16Å
414R28.5Very low28.3Very low239 Ų239183.4 Ų183.490%0.90283%0.829SS**PPolyproline II helixtrans-73.3121.8163.7-70.1171.475.1174.13.2106.9K412 K416K412-R414 PolarHBondContact O-N 3Å; R414-K416 PolarHBondContact O-N 2.97Å
415R28.5Very low27.9Very low257 Ų257181.8 Ų181.897%0.9782%0.824SS**PPolyproline II helixtrans-63.4123.1155.4-84.6-178.7166.5173.6-5.9106.2
416K28.1Very low27.6Very low193 Ų193181.6 Ų181.684%0.83982%0.821SS**  trans-117.4131.1167.1-167.2-174.4177.6-1700107.1R414R414-K416 PolarHBondContact O-N 2.97Å
417K27.6Very low27.4Very low162 Ų162178 Ų17870%0.70483%0.825SS**  trans-54.2137.4172.2-161.5-173.6-171.6-165.30108.9E419K417-E419 WeakPolarHBondContact CE-OE1 3.37Å; K417-E419 IonicContact NZ-OE1 2.8Å; K417-E419 PolarHBondContact NZ-OE1 3.36Å
418K25.2Very low27.2Very low205 Ų205177.1 Ų177.189%0.89182%0.822SS**  trans-112.799.7172.3-171.7-172.8179.3-170.40108.1
419E25.6Very low26.9Very low134 Ų134177.6 Ų177.663%0.62682%0.821SS**  trans-83168161.2-83.7146.517200110.2K417K417-E419 WeakPolarHBondContact CE-OE1 3.37Å; K417-E419 IonicContact NZ-OE1 2.8Å; K417-E419 PolarHBondContact NZ-OE1 3.36Å
420Q24.6Very low26.6Very low203 Ų203173.2 Ų173.295%0.94982%0.816SS**  trans-80.6152-169.7-58.6175.43.100111.7
421G25.8Very low26.4Very low80 Ų80167 Ų16783%0.82582%0.815SS**  trans-168.9125.1179.400000110.2
422K24.1Very low26Very low193 Ų193158.6 Ų158.684%0.83981%0.806SS**  trans-97.9164.5-158.7-141178.9-174.81760112.8
423L26.6Very low25.9Very low145 Ų145153.7 Ų153.776%0.75980%0.802SS**  trans83.1127.8154-65.7163.4000121.7
424H23Very low25.7Very low167 Ų167147.2 Ų147.277%0.77380%0.795SS**  trans54.8150.7141.9-99.334000120.7
425N24.6Very low25.7Very low100 Ų100145.1 Ų145.154%0.53580%0.796SS.*  cis-148.1-179.39-159.410.2000112.6
426Q26Very low25.7Very low169 Ų169140.5 Ų140.579%0.7979%0.79SS**  trans-16152.1164.4-63.4145.928.500119
427G24.1Very low25.5Very low77 Ų77140 Ų14079%0.79479%0.79SS**  cis144.3116.2-6.400000115.1
428S27.7Very low25.4Very low105 Ų105138.5 Ų138.573%0.73479%0.79SS**  trans-177.5130.8162.756.30000108.5
429T23.3Very low25.5Very low120 Ų120135.6 Ų135.674%0.73679%0.789SS**  cis61.6135.349.271.90000114
430N24.6Very low25.5Very low154 Ų154134.9 Ų134.982%0.82479%0.793SS**  cis-158.2143.7-7.8-107.20.7000110.6
431A26.5Very low26.2Very low107 Ų107130.2 Ų130.288%0.88478%0.781SS**  trans173.7144.7151.800000109.6
432G24.6Very low26.1Very low71 Ų71134 Ų13473%0.73278%0.777SS**  cis157.2127.4-6.600000111
433A26.8Very low26.1Very low97 Ų97129.9 Ų129.980%0.80277%0.768SS**  trans63.8131-169.800000115.2
434S25Very low26Very low114 Ų114128.5 Ų128.580%0.79777%0.766SS**  cis103.2109.51280.40000115.9
435E27.4Very low26.6Very low195 Ų195126.2 Ų126.291%0.91177%0.765SS**  trans-149.1151.8147-116.4165-165.500108.2
436L27.7Very low26.7Very low160 Ų160125.3 Ų125.384%0.83877%0.772SS**  trans-104.2176.6-178.3-69.6159.7000107.9
437E25.8Very low26.6Very low181 Ų181125.8 Ų125.885%0.84677%0.774SS**  cis-143-17629.8-71.1179.8154.300113.3
438D25Very low26.7Very low132 Ų132130.8 Ų130.871%0.70678%0.777SS**  trans-59.8157.4-170-55.9-89.5000117.2
439V26.1Very low26.6Very low143 Ų143134.4 Ų134.487%0.86778%0.782SS**  -163.1132.399.3150.20000110.3
440V25.4Very low26.7Very low119 Ų119137.4 Ų137.472%0.72179%0.788SS**  trans-122.1160.8168.7-120.30000105.2
441P39.7Very low26.7Very low105 Ų105138.6 Ų138.668%0.68279%0.788SS**  cis-141.3-150.425.139.3-13.5000113
442E24.4Very low26.6Very low161 Ų161142.4 Ų142.475%0.75279%0.788SS**  cis-158.6154.89-143.7176.3141.200112.4
443V24.3Very low26.5Very low105 Ų105148.4 Ų148.464%0.63680%0.797SS**  trans41123.7141.8162.90000120.3
444T23.9Very low26.4Very low117 Ų117152.8 Ų152.872%0.71880%0.801SS**  cis76163.139.874.50000115.6
445P36.8Very low26.3Very low118 Ų118156.2 Ų156.277%0.76680%0.804SS**  cis-134.4-149.6-38.935.5-14.1000112.8
446A24.7Very low26Very low81 Ų81153 Ų15367%0.66980%0.798SS**  trans97.7135.316800000116.1
447E25.2Very low26.1Very low180 Ų180151.1 Ų151.184%0.84180%0.795SS**  cis72.6136.827.9-50.1171.2164.400111.2
448E25.2Very low25.9Very low181 Ų181148.8 Ų148.885%0.84679%0.793SS**  cis-121.3171.16-65.9160.4121.300109
449E26Very low26.6Very low181 Ų181147 Ų14785%0.84679%0.789SS**  cis88121.125.3-58.8-177.7172.800114.9
450E25Very low26.5Very low183 Ų183147.3 Ų147.386%0.85578%0.781SS**  cis-150.9-38.1-0.8-168.3161.8-150.700119.9
451E24.8Very low26.4Very low180 Ų180149 Ų14984%0.84178%0.781SS**  trans-124.9168.4-161-49.8176.4119.600115.3
452E24.6Very low25.6Very low186 Ų186150.4 Ų150.487%0.86978%0.778SS**  cis-160.5-172.7-15.6-133.7-161.1176.100111.9
453E23.3Very low25.7Very low197 Ų197149.9 Ų149.992%0.92178%0.776SS**  trans143.9148.2147.5-79-163.4156.700118.6
454E24.5Very low25.6Very low190 Ų190148.1 Ų148.189%0.88877%0.768SS**  trans-98.5159.4176.7-65.7-169.3113.900113.6
455E22.5Very low25.8Very low185 Ų185147.8 Ų147.886%0.86477%0.766SS**  -161.7154129.7-125.5-173.5-164.100114.1
456T20.7Very low25.2Very low128 Ų128150.1 Ų150.179%0.78576%0.764SS**  trans-140.4149.6163.268.60000109.4
457P29.7Very low25Very low120 Ų120151.7 Ų151.778%0.77977%0.766SS**  -149.2-176.1104.236.5-18.1000116
458T22.5Very low24.9Very low132 Ų132153.8 Ų153.881%0.8177%0.766SS**  trans-105.6-164178.959.80000109.6
459P39.9Very low24.8Very low95 Ų95155.2 Ų155.262%0.61777%0.769SS**  cis-142.5-169.2041.9-20.4000116.8
460H22.7Very low24.6Very low150 Ų150156.1 Ų156.169%0.69477%0.77SS**  trans142.1115.9143.6-76.9-70.3000111.3
461Q25Very low24.5Very low153 Ų153156.4 Ų156.472%0.71577%0.769SS**  72.413486.4-108.1174.8-31.100112.9
462E23Very low25.6Very low135 Ų135152.5 Ų152.563%0.63176%0.759SS**  cis-156.1152.438.1-75.7-149.1112.100116.8
463Q25.1Very low25.7Very low151 Ų151153 Ų15371%0.70676%0.761SS**  trans48.4168.9131.6-60.4-163.953.600124.7
464S23.2Very low25.7Very low68 Ų68147.2 Ų147.248%0.47676%0.755SS.*  cis-166.4138.6-43.868.30000114.4K466S464-K466 PolarHBondContact O-NZ 2.88Å
465V27Very low26Very low110 Ų110145.5 Ų145.567%0.66775%0.747SS**  trans22.8131.8144.1-178.60000122
466K24Very low26.3Very low166 Ų166145.1 Ų145.172%0.72274%0.742SS**  trans-160164.8143.7-73.1101-155.3134.70108.1S464S464-K466 PolarHBondContact O-NZ 2.88Å
467T22.3Very low26.5Very low115 Ų115148 Ų14871%0.70675%0.747SS**  cis-159.3142.5-4031.20000106.1
468R22.4Very low26.6Very low223 Ų223149.8 Ų149.884%0.84275%0.749SS**  cis70.8127.150-59.5173.8178.7177.1-1.6112.6
469K23.1Very low26.9Very low212 Ų212150.7 Ų150.792%0.92275%0.749SS**  cis-129.4-136.510.9-132.9163.9-171173.90112
470K21.7Very low26.5Very low199 Ų199155.3 Ų155.387%0.86576%0.762SS**  cis-143.7-125.411.2-159.4-173.3-179.5-177.60113.3
471K22.2Very low27.2Very low189 Ų189153 Ų15382%0.82277%0.769SS**  trans178.1179.8-166.6-110.5-169.3176.4-1750111.9
472P49.1Very low27.9Very low98 Ų98152.2 Ų152.264%0.63677%0.774SS**  cis-146.2-164.1-27.440.3-19000116.8
473Q26.8Very low29Very low196 Ų196151.8 Ų151.892%0.91678%0.776SS**  trans85.2130.6164.6-69.2172.3-18.300117.6
474G22.9Very low29.9Very low76 Ų76152.6 Ų152.678%0.78478%0.78SS**  cis-176.1-170.6-1.300000110.4
475Q30.1Very low31.2Very low154 Ų154154.2 Ų154.272%0.7279%0.792SS**  cis-167.6135.2-4.4-167.4-151.6135.700110.1
476K28.2Very low32.3Very low177 Ų177153.9 Ų153.977%0.7779%0.789SS**  trans66.6157.6170-73.7169.8-175.8162.90117.2
477Q26.1Very low34.1Very low189 Ų189148.4 Ų148.488%0.88377%0.768SS**  cis-109.5-173.19.9-67176-600113.8
478L32.3Very low36.3Very low158 Ų158151.2 Ų151.283%0.82777%0.767SS**  trans-136.6-171.5-170.4-99.2167000110.6
479D27.9Very low38.8Very low151 Ų151142.8 Ų142.881%0.80775%0.749SS**  trans89.6119.3168.1-46.2-21.9000114.4
480E32.2Very low41.4Very low192 Ų192135.8 Ų135.890%0.89772%0.721SS**  cis-133.2147.6-8.7-61.7-177.6108.300109.3
481A36.4Very low43.9Very low101 Ų101130.2 Ų130.284%0.83570%0.695SS**  trans-142.4106.5179.400000111.7
482V40.4Very low46.7Very low137 Ų137125.2 Ų125.283%0.8368%0.677SS**  trans-137119.8177.3-176.60000109.2
483D44.8Very low48.3Very low126 Ų126122.2 Ų122.267%0.67466%0.661SS**SBendtrans64.442.4163.1-150.629.1000120.3
484E45.9Very low51Low167 Ų167113.3 Ų113.378%0.7862%0.619SS**  trans-84.7-16.5171.8-74.6-164.2122.300115.5V486 Y488E484-V486 PolarHBondContact O-N 3.4Å; E484-Y488 PolarHBondContact O-N 3.41Å
485S50.4Low53.9Low103 Ų103111.6 Ų111.672%0.7259%0.59SS**Hα-helixtrans-75.1-25.5-165.759.50000114.9
486V49.9Very low56.6Low102 Ų102107.2 Ų107.262%0.61858%0.575SS**Hα-helixtrans-85.7-38.9179.9-172.90000111.3E484 Y488 G489 L490E484-V486 PolarHBondContact O-N 3.4Å; V486-Y488 PolarHBondContact O-N 2.83Å; V486-G489 PolarHBondContact O-N 2.88Å; V486-L490 PolarHBondContact O-N 3.39Å
487D60.9Low59.3Low51 Ų5199.1 Ų99.127%0.27354%0.54SS..Hα-helixtrans-62.6-39.9-179.7-170.74.2000111.7G489 L490 R491D487-G489 VanDerWaalsContact C-N 3.33Å; D487-G489 PolarHBondContact O-N 3.37Å; D487-L490 PolarHBondContact O-N 2.77Å; D487-R491 VanDerWaalsContact O-CG 3.31Å; D487-R491 WeakPolarHBondContact O-CG 3.33Å; D487-R491 PolarHBondContact O-N 3.02Å; D487-R491 IonicContact OD1-CZ 2.87Å; D487-R491 IonicContact OD1-NE 3.74Å; D487-R491 PolarHBondContact OD1-NE 2.92Å; D487-R491 IonicContact OD1-NH2 2.62Å; D487-R491 IonicContact OD2-CZ 2.82Å; D487-R491 VanDerWaalsContact OD2-CZ 3.31Å; D487-R491 IonicContact OD2-NE 2.62Å; D487-R491 PolarHBondContact OD2-NE 2.71Å; D487-R491 IonicContact OD2-NH2 3.47Å; D487-R491 PolarHBondContact OD2-NH2 2.97Å
488Y69Low62.2Low175 Ų17590.1 Ų90.169%0.68650%0.498SS*.Hα-helixtrans-57-43.6177.3-169.3-83.7000112.9E484 V486 R491 D492E484-Y488 PolarHBondContact O-N 3.41Å; V486-Y488 PolarHBondContact O-N 2.83Å; Y488-R491 PolarHBondContact O-N 2.94Å; Y488-D492 PolarHBondContact O-N 3.41Å
489G75.4Confident64.8Low45 Ų4588.2 Ų88.246%0.46448%0.483SS..Hα-helixtrans-66.6-39.2179.500000113.1V486 D487 A493V486-G489 PolarHBondContact O-N 2.88Å; D487-G489 VanDerWaalsContact C-N 3.33Å; D487-G489 PolarHBondContact O-N 3.37Å; G489-A493 WeakPolarHBondContact O-CB 3.48Å; G489-A493 PolarHBondContact O-N 3.28Å; G489-A493 VanDerWaalsContact O-N 3.12Å
490L76.6Confident67.6Low65 Ų6585.9 Ų85.934%0.3447%0.474SS..Hα-helixtrans-63.7-44.4174.6-169.783.4000111.2V486 D487 A493 L494 L509 L534V486-L490 PolarHBondContact O-N 3.39Å; D487-L490 PolarHBondContact O-N 2.77Å; L490-A493 PolarHBondContact O-N 3.25Å; L490-L494 HydrophobicContact CD2-CD1 4.34Å; L490-L494 HydrophobicContact CG-CD1 4.12Å; L490-L494 WeakPolarHBondContact O-CB 3.37Å; L490-L494 VanDerWaalsContact O-CG 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.5Å; L490-L494 PolarHBondContact O-N 3.31Å; L490-L509 HydrophobicContact CD1-CD2 4.32Å; L490-L534 HydrophobicContact CD2-CD1 4.03Å
491R75.1Confident70.1Confident82 Ų8277.7 Ų77.731%0.30944%0.441SS..Hα-helixtrans-64-42.7179.7-69.9175.4-172-15813.6112.5D487 Y488 L494 F495D487-R491 VanDerWaalsContact O-CG 3.31Å; D487-R491 WeakPolarHBondContact O-CG 3.33Å; D487-R491 PolarHBondContact O-N 3.02Å; D487-R491 IonicContact OD1-CZ 2.87Å; D487-R491 IonicContact OD1-NE 3.74Å; D487-R491 PolarHBondContact OD1-NE 2.92Å; D487-R491 IonicContact OD1-NH2 2.62Å; D487-R491 IonicContact OD2-CZ 2.82Å; D487-R491 VanDerWaalsContact OD2-CZ 3.31Å; D487-R491 IonicContact OD2-NE 2.62Å; D487-R491 PolarHBondContact OD2-NE 2.71Å; D487-R491 IonicContact OD2-NH2 3.47Å; D487-R491 PolarHBondContact OD2-NH2 2.97Å; Y488-R491 PolarHBondContact O-N 2.94Å; R491-L494 PolarHBondContact O-N 2.91Å; R491-F495 VanDerWaalsContact O-CB 3.3Å; R491-F495 WeakPolarHBondContact O-CB 3.48Å; R491-F495 PolarHBondContact O-N 3.38Å
492D81.3Confident72.4Confident84 Ų8476.6 Ų76.645%0.44942%0.421SS..Hα-helixtrans-67.7-38.3177.8-17362.4000112.3Y488 F495 T496Y488-D492 PolarHBondContact O-N 3.41Å; D492-F495 PolarHBondContact O-N 2.9Å; D492-T496 VanDerWaalsContact O-CB 3.28Å; D492-T496 WeakPolarHBondContact O-CB 3.32Å; D492-T496 PolarHBondContact O-N 3.12Å; D492-T496 PolarHBondContact O-OG1 3.41Å
493A82.1Confident74.4Confident36 Ų3672.5 Ų72.530%0.29840%0.397SS..Hα-helixtrans-62.8-45.7172.900000112G489 L490 T496 A497 L509G489-A493 WeakPolarHBondContact O-CB 3.48Å; G489-A493 PolarHBondContact O-N 3.28Å; G489-A493 VanDerWaalsContact O-N 3.12Å; L490-A493 PolarHBondContact O-N 3.25Å; A493-T496 PolarHBondContact O-N 3.43Å; A493-A497 WeakPolarHBondContact O-CB 3.16Å; A493-A497 PolarHBondContact O-N 3.03Å; A493-L509 HydrophobicContact CB-CD1 3.84Å; A493-L509 HydrophobicContact CB-CD2 4.17Å
494L82.3Confident76Confident8 Ų868.3 Ų68.34%0.04238%0.383CS..Hα-helixtrans-63.6-42.8175.8-74.9169.1000112.3L490 R491 C498 L506 L509 L510 L546L490-L494 HydrophobicContact CD2-CD1 4.34Å; L490-L494 HydrophobicContact CG-CD1 4.12Å; L490-L494 WeakPolarHBondContact O-CB 3.37Å; L490-L494 VanDerWaalsContact O-CG 3.32Å; L490-L494 WeakPolarHBondContact O-CG 3.5Å; L490-L494 PolarHBondContact O-N 3.31Å; R491-L494 PolarHBondContact O-N 2.91Å; L494-C498 WeakPolarHBondContact O-CB 3.33Å; L494-C498 PolarHBondContact O-N 2.95Å; L494-C498 PolarHBondContact O-SG 3.27Å; L494-L506 HydrophobicContact CD2-CD1 3.65Å; L494-L509 HydrophobicContact CD2-CB 3.6Å; L494-L509 HydrophobicContact CD2-CD1 4.18Å; L494-L509 HydrophobicContact CG-CB 4.3Å; L494-L509 HydrophobicContact CG-CD1 4.43Å; L494-L510 HydrophobicContact CD2-CD2 3.76Å; L494-L510 HydrophobicContact CD2-CG 4.08Å; L494-L546 HydrophobicContact CB-CD1 4.34Å; L494-L546 HydrophobicContact CB-CD2 3.84Å; L494-L546 HydrophobicContact CD1-CD1 4.41Å
495F84.7Confident77.7Confident40 Ų4062 Ų6218%0.17536%0.359CS..Hα-helixtrans-60-46.7174.5175.4-91.7000111.3R491 D492 C498 K499 I539 V549R491-F495 VanDerWaalsContact O-CB 3.3Å; R491-F495 WeakPolarHBondContact O-CB 3.48Å; R491-F495 PolarHBondContact O-N 3.38Å; D492-F495 PolarHBondContact O-N 2.9Å; F495-C498 PolarHBondContact O-N 3.5Å; F495-K499 HydrophobicContact CD1-CD 4.43Å; F495-K499 HydrophobicContact CE1-CD 3.74Å; F495-K499 HydrophobicContact CZ-CD 4.16Å; F495-K499 VanDerWaalsContact O-CB 3.23Å; F495-K499 WeakPolarHBondContact O-CB 3.19Å; F495-K499 PolarHBondContact O-N 3.19Å; F495-I539 HydrophobicContact CB-CD1 4.49Å; F495-I539 HydrophobicContact CB-CG2 4.47Å; F495-I539 HydrophobicContact CD2-CD1 3.98Å; F495-I539 HydrophobicContact CD2-CG2 4.24Å; F495-V549 HydrophobicContact CD2-CG1 4.05Å; F495-V549 HydrophobicContact CD2-CG2 3.82Å; F495-V549 HydrophobicContact CE2-CG1 3.99Å; F495-V549 HydrophobicContact CE2-CG2 3.76Å
496T86.6Confident79.1Confident63 Ų6357.1 Ų57.139%0.38733%0.325SS..Hα-helixtrans-63.9-47.3179.4-66.50000111.5D492 A493 C498 K499 V500D492-T496 VanDerWaalsContact O-CB 3.28Å; D492-T496 WeakPolarHBondContact O-CB 3.32Å; D492-T496 PolarHBondContact O-N 3.12Å; D492-T496 PolarHBondContact O-OG1 3.41Å; A493-T496 PolarHBondContact O-N 3.43Å; T496-C498 PolarHBondContact O-N 3.27Å; T496-K499 PolarHBondContact O-N 3.42Å; T496-V500 HydrophobicContact CG2-CG2 4.16Å; T496-V500 WeakPolarHBondContact O-CB 3.2Å; T496-V500 WeakPolarHBondContact O-CG2 3.43Å; T496-V500 PolarHBondContact O-N 3.14Å
497A85.9Confident80.5Confident6 Ų653.4 Ų53.45%0.0530%0.303CS..Hα-helixtrans-58-45.7174.700000111.8A493 K499 G501 D502 A505 L506 L509A493-A497 WeakPolarHBondContact O-CB 3.16Å; A493-A497 PolarHBondContact O-N 3.03Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.87Å; A497-G501 WeakPolarHBondContact O-CA 3.23Å; A497-G501 PolarHBondContact O-N 2.89Å; A497-D502 PolarHBondContact O-N 3.43Å; A497-D502 VanDerWaalsContact O-N 3.12Å; A497-A505 HydrophobicContact CB-CB 4.33Å; A497-L506 HydrophobicContact CB-CB 4.22Å; A497-L509 HydrophobicContact CB-CD1 4.49Å
498C86.4Confident81.4Confident0 Ų054.8 Ų54.80%032%0.317CS..Hα-helixtrans-65.9-30.9179-70.30000114L494 F495 T496 L546 V549 A550 V558L494-C498 WeakPolarHBondContact O-CB 3.33Å; L494-C498 PolarHBondContact O-N 2.95Å; L494-C498 PolarHBondContact O-SG 3.27Å; F495-C498 PolarHBondContact O-N 3.5Å; T496-C498 PolarHBondContact O-N 3.27Å; C498-L546 HydrophobicContact CB-CD2 4.4Å; C498-V549 HydrophobicContact CB-CG1 4.35Å; C498-A550 HydrophobicContact CB-CB 4.39Å; C498-V558 HydrophobicContact CB-CG1 4.22Å
499K86.4Confident81.7Confident119 Ų11949.1 Ų49.152%0.51730%0.299SS..Hα-helixtrans-80.7-45.2179.4-177.6178.4176.7-1760112.2F495 T496 A497 G501 V549 Q555F495-K499 HydrophobicContact CD1-CD 4.43Å; F495-K499 HydrophobicContact CE1-CD 3.74Å; F495-K499 HydrophobicContact CZ-CD 4.16Å; F495-K499 VanDerWaalsContact O-CB 3.23Å; F495-K499 WeakPolarHBondContact O-CB 3.19Å; F495-K499 PolarHBondContact O-N 3.19Å; T496-K499 PolarHBondContact O-N 3.42Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-K499 PolarHBondContact O-N 2.87Å; K499-G501 VanDerWaalsContact C-N 3.33Å; K499-V549 HydrophobicContact CB-CG1 4.08Å; K499-Q555 PolarHBondContact O-NE2 2.82Å; K499-Q555 VanDerWaalsContact O-NE2 3.14Å
500V86.6Confident81.5Confident102 Ų10247.6 Ų47.662%0.61828%0.279SS*.Hα-helixtrans-71.4-29.9178.2174.70000111.6T496 Q555T496-V500 HydrophobicContact CG2-CG2 4.16Å; T496-V500 WeakPolarHBondContact O-CB 3.2Å; T496-V500 WeakPolarHBondContact O-CG2 3.43Å; T496-V500 PolarHBondContact O-N 3.14Å; V500-Q555 PolarHBondContact O-NE2 3.38Å
501G84.4Confident80.9Confident19 Ų1952.3 Ų52.320%0.19630%0.3CS..THydrogen-bonded Turntrans92.217.5-17700000113.8A497 K499 V503 Q555A497-G501 WeakPolarHBondContact O-CA 3.23Å; A497-G501 PolarHBondContact O-N 2.89Å; K499-G501 VanDerWaalsContact C-N 3.33Å; G501-V503 PolarHBondContact O-N 2.79Å; G501-V503 VanDerWaalsContact O-N 3.14Å; G501-Q555 VanDerWaalsContact CA-CD 3.43Å
502D85.9Confident80.1Confident78 Ų7850.9 Ų50.942%0.41730%0.298SS..  trans-75.4102179.5-169.9-18.8000110.4A497 G504 A505 L506A497-D502 PolarHBondContact O-N 3.43Å; A497-D502 VanDerWaalsContact O-N 3.12Å; D502-G504 WeakPolarHBondContact OD1-CA 3.25Å; D502-G504 PolarHBondContact OD1-N 2.8Å; D502-A505 HydrophobicContact CB-CB 4.12Å; D502-A505 PolarHBondContact OD1-N 2.9Å; D502-A505 WeakPolarHBondContact OD2-CB 3.36Å; D502-L506 VanDerWaalsContact O-CB 3.27Å; D502-L506 WeakPolarHBondContact O-CB 3.29Å; D502-L506 PolarHBondContact O-N 2.76Å
503V81.9Confident78.5Confident52 Ų5251.6 Ų51.632%0.31531%0.307SS..Hα-helixtrans-71.8-32.4177.8-173.50000111.1G501 C507 A557 V558 L561G501-V503 PolarHBondContact O-N 2.79Å; G501-V503 VanDerWaalsContact O-N 3.14Å; V503-C507 PolarHBondContact O-N 3.1Å; V503-C507 PolarHBondContact O-SG 2.77Å; V503-A557 HydrophobicContact CG2-CB 3.81Å; V503-V558 HydrophobicContact CG2-CG2 4.29Å; V503-L561 HydrophobicContact CG1-CD1 4.03Å
504G78.6Confident76.7Confident37 Ų3757.6 Ų57.638%0.38133%0.329SS..Hα-helixtrans-70.4-52.1-177.500000111.5D502 L506 C507 S508D502-G504 WeakPolarHBondContact OD1-CA 3.25Å; D502-G504 PolarHBondContact OD1-N 2.8Å; G504-L506 VanDerWaalsContact C-N 3.26Å; G504-L506 PolarHBondContact O-N 3.26Å; G504-C507 PolarHBondContact O-N 3.27Å; G504-S508 PolarHBondContact O-N 2.94Å; G504-S508 PolarHBondContact O-OG 3.21Å
505A81.3Confident74.8Confident35 Ų3565.6 Ų65.629%0.28937%0.366SS..Hα-helixtrans-58.4-39.5174.200000111.7A497 D502 S508 L509A497-A505 HydrophobicContact CB-CB 4.33Å; D502-A505 HydrophobicContact CB-CB 4.12Å; D502-A505 PolarHBondContact OD1-N 2.9Å; D502-A505 WeakPolarHBondContact OD2-CB 3.36Å; A505-S508 PolarHBondContact O-N 3.18Å; A505-L509 WeakPolarHBondContact O-CB 3.39Å; A505-L509 VanDerWaalsContact O-CG 3.24Å; A505-L509 WeakPolarHBondContact O-CG 3.44Å; A505-L509 PolarHBondContact O-N 2.92Å
506L80.2Confident72.5Confident0 Ų069.9 Ų69.90%040%0.396CS..Hα-helixtrans-67-40179.4-173.861.3000113.3L494 A497 D502 G504 L510 V558 L561 L562L494-L506 HydrophobicContact CD2-CD1 3.65Å; A497-L506 HydrophobicContact CB-CB 4.22Å; D502-L506 VanDerWaalsContact O-CB 3.27Å; D502-L506 WeakPolarHBondContact O-CB 3.29Å; D502-L506 PolarHBondContact O-N 2.76Å; G504-L506 VanDerWaalsContact C-N 3.26Å; G504-L506 PolarHBondContact O-N 3.26Å; L506-L510 HydrophobicContact CD1-CD1 3.76Å; L506-L510 HydrophobicContact CD1-CG 3.98Å; L506-L510 HydrophobicContact CG-CD1 3.91Å; L506-L510 HydrophobicContact CG-CG 4.43Å; L506-L510 WeakPolarHBondContact O-CB 3.45Å; L506-L510 VanDerWaalsContact O-CG 3.3Å; L506-L510 WeakPolarHBondContact O-CG 3.44Å; L506-L510 PolarHBondContact O-N 3.19Å; L506-V558 HydrophobicContact CD2-CB 4.3Å; L506-V558 HydrophobicContact CD2-CG1 3.64Å; L506-V558 HydrophobicContact CD2-CG2 4.1Å; L506-L561 HydrophobicContact CD2-CD2 3.83Å; L506-L561 HydrophobicContact CG-CD2 3.99Å; L506-L562 HydrophobicContact CD2-CD2 4.18Å; L506-L562 HydrophobicContact CD2-CG 4.31Å
507C78.9Confident70.3Confident24 Ų2475 Ų7516%0.16242%0.418CS..Hα-helixtrans-59.5-48.3173.3-70.40000111.5V503 G504 L509 L510 Q511 L512 L561V503-C507 PolarHBondContact O-N 3.1Å; V503-C507 PolarHBondContact O-SG 2.77Å; G504-C507 PolarHBondContact O-N 3.27Å; C507-L509 PolarHBondContact O-N 3.28Å; C507-L510 PolarHBondContact O-N 3Å; C507-Q511 PolarHBondContact O-N 3.35Å; C507-Q511 VanDerWaalsContact O-N 3.14Å; C507-L512 PolarHBondContact O-N 3.18Å; C507-L561 WeakPolarHBondContact SG-CD1 3.23Å
508S79.5Confident67.9Low81 Ų8181.2 Ų81.257%0.56645%0.45SS*.Hα-helixtrans-63.2-41.4-179.6-57.40000112.6G504 A505 Q511G504-S508 PolarHBondContact O-N 2.94Å; G504-S508 PolarHBondContact O-OG 3.21Å; A505-S508 PolarHBondContact O-N 3.18Å; S508-Q511 PolarHBondContact O-N 2.79Å
509L75.3Confident65.3Low56 Ų5689 Ų8929%0.29349%0.491SS..Hα-helixtrans-71-28178.2-71.6168.1000113.4L490 A493 L494 A497 A505 C507L490-L509 HydrophobicContact CD1-CD2 4.32Å; A493-L509 HydrophobicContact CB-CD1 3.84Å; A493-L509 HydrophobicContact CB-CD2 4.17Å; L494-L509 HydrophobicContact CD2-CB 3.6Å; L494-L509 HydrophobicContact CD2-CD1 4.18Å; L494-L509 HydrophobicContact CG-CB 4.3Å; L494-L509 HydrophobicContact CG-CD1 4.43Å; A497-L509 HydrophobicContact CB-CD1 4.49Å; A505-L509 WeakPolarHBondContact O-CB 3.39Å; A505-L509 VanDerWaalsContact O-CG 3.24Å; A505-L509 WeakPolarHBondContact O-CG 3.44Å; A505-L509 PolarHBondContact O-N 2.92Å; C507-L509 PolarHBondContact O-N 3.28Å
510L72Confident63.1Low12 Ų1289 Ų896%0.06350%0.503CS..THydrogen-bonded Turntrans-90.31.8176.1-65.8179.2000113.6L494 L506 C507 L512 L535 L561 L562 A565L494-L510 HydrophobicContact CD2-CD2 3.76Å; L494-L510 HydrophobicContact CD2-CG 4.08Å; L506-L510 HydrophobicContact CD1-CD1 3.76Å; L506-L510 HydrophobicContact CD1-CG 3.98Å; L506-L510 HydrophobicContact CG-CD1 3.91Å; L506-L510 HydrophobicContact CG-CG 4.43Å; L506-L510 WeakPolarHBondContact O-CB 3.45Å; L506-L510 VanDerWaalsContact O-CG 3.3Å; L506-L510 WeakPolarHBondContact O-CG 3.44Å; L506-L510 PolarHBondContact O-N 3.19Å; C507-L510 PolarHBondContact O-N 3Å; L510-L512 HydrophobicContact CB-CD1 4Å; L510-L512 HydrophobicContact CB-CG 3.91Å; L510-L512 HydrophobicContact CD1-CD1 4.18Å; L510-L512 PolarHBondContact O-N 2.84Å; L510-L512 VanDerWaalsContact O-N 3.17Å; L510-L535 HydrophobicContact CD1-CD2 4.21Å; L510-L535 HydrophobicContact CD2-CD2 3.69Å; L510-L561 HydrophobicContact CD1-CD2 4.22Å; L510-L562 HydrophobicContact CD1-CD2 4.2Å; L510-A565 HydrophobicContact CD1-CB 4.45Å
511Q64.6Low61Low165 Ų16592.6 Ų92.677%0.77151%0.513SS*.THydrogen-bonded Turntrans54.230.5-178.2-60.8178-25.800113.5C507 S508C507-Q511 PolarHBondContact O-N 3.35Å; C507-Q511 VanDerWaalsContact O-N 3.14Å; S508-Q511 PolarHBondContact O-N 2.79Å
512L58.1Low58.9Low51 Ų51100.8 Ų100.827%0.26755%0.546SS..  trans-76.3130176-65.5170.2000109.3C507 L510 Q514 L561 A565C507-L512 PolarHBondContact O-N 3.18Å; L510-L512 HydrophobicContact CB-CD1 4Å; L510-L512 HydrophobicContact CB-CG 3.91Å; L510-L512 HydrophobicContact CD1-CD1 4.18Å; L510-L512 PolarHBondContact O-N 2.84Å; L510-L512 VanDerWaalsContact O-N 3.17Å; L512-Q514 PolarHBondContact O-N 3.27Å; L512-L561 HydrophobicContact CD1-CD2 3.89Å; L512-L561 HydrophobicContact CD1-CG 4.34Å; L512-A565 HydrophobicContact CD1-CB 4.16Å; L512-A565 HydrophobicContact CD2-CB 4.46Å
513P46.5Very low56.4Low100 Ų100105.8 Ų105.865%0.64957%0.569SS**  trans-53.7130.3175.7-2835.9000112.2E515P513-E515 HydrophobicContact CB-CG 4.15Å; P513-E515 PolarHBondContact O-N 2.75Å
514Q44.7Very low54.8Low162 Ų162112.2 Ų112.276%0.75760%0.596SS**  trans-78.471.4168.3-76.3-166.1-52.500109.8L512 T516L512-Q514 PolarHBondContact O-N 3.27Å; Q514-T516 PolarHBondContact O-N 3.32Å; Q514-T516 VanDerWaalsContact O-N 3.15Å
515E43.2Very low53.2Low175 Ų175119.1 Ų119.182%0.81862%0.618SS**  trans-73.4108.6172.9-75.3-178.2173.900110.4P513P513-E515 HydrophobicContact CB-CG 4.15Å; P513-E515 PolarHBondContact O-N 2.75Å
516T35.3Very low51.2Low131 Ų131124.9 Ų124.980%0.80464%0.644SS**  trans-56.7148158.345.20000110.1Q514 D518Q514-T516 PolarHBondContact O-N 3.32Å; Q514-T516 VanDerWaalsContact O-N 3.15Å; T516-D518 PolarHBondContact O-N 2.81Å
517M41.1Very low49.3Very low170 Ų170132 Ų13284%0.83768%0.681SS**SBendtrans-60.6123.9176.9-58.2178.261.900111
518D34.9Very low47.4Very low137 Ų137135.6 Ų135.673%0.73371%0.706SS**  167.792.1120.6-81.8-16.9000113.7T516T516-D518 PolarHBondContact O-N 2.81Å
519L31.6Very low45.8Very low162 Ų162138.1 Ų138.185%0.84872%0.718SS**  trans59.4163.5150.7-67.8167.2000120
520P39.8Very low44.3Very low119 Ų119138.4 Ų138.477%0.77373%0.728SS**  cis-116-158.6-2.242.5-29.1000113.3
521E44.1Very low43.4Very low178 Ų178139.6 Ų139.683%0.83274%0.737SS**  trans-75.2173.4178.5-63.816114200112.5
522E38.7Very low43Very low192 Ų192134.4 Ų134.490%0.89772%0.719SS**  trans74.174.2-178.9-58.3-174.9-164.500117.6
523M34Very low42.9Very low183 Ų183135.4 Ų135.490%0.90173%0.73SS**  trans-16287.7141.1-112.2179.172.900111.4
524E47.8Very low43.9Very low186 Ų186132.9 Ų132.987%0.86971%0.711SS**  trans-78.4167.4158.4-63.5-164.9131.600109.9
525E45.4Very low45.2Very low183 Ų183125.4 Ų125.486%0.85568%0.676SS**SBendtrans60.968.4177.4-55.7-167.2179.900117.2
526N39.4Very low46.8Very low156 Ų156120 Ų12083%0.83465%0.653SS**  -17795123.6-101.6-69.6000112.7
527I40.3Very low48.9Very low149 Ų149118 Ų11876%0.76463%0.633SS**  trans-113.2123.7162.2-63178.3000107.5T529I527-T529 PolarHBondContact O-N 3.23Å
528S38.6Very low50.6Low100 Ų100113.4 Ų113.470%0.69962%0.616SS**  trans-57.6125.7-169.8-171.50000112.9A530S528-A530 PolarHBondContact O-N 2.79Å
529T46.1Very low52.5Low134 Ų134108.9 Ų108.982%0.82259%0.591SS**SBendtrans-82.945.5-159.9-32.30000114.3I527I527-T529 PolarHBondContact O-N 3.23Å
530A44.5Very low54.6Low61 Ų61104.5 Ų104.550%0.50457%0.569SS.*SBendtrans-102.1-55.1-175.700000115.6S528 S532S528-A530 PolarHBondContact O-N 2.79Å; A530-S532 PolarHBondContact O-N 3.28Å
531P53.3Low56.3Low38 Ų38104.9 Ų104.925%0.24757%0.574CS.*THydrogen-bonded Turntrans-76.3-20.3-168.730.2-35.7000114.1S533 L534 L535P531-S533 PolarHBondContact O-N 3.32Å; P531-L534 PolarHBondContact O-N 2.96Å; P531-L535 PolarHBondContact O-N 2.84Å
532S54.9Low57.7Low56 Ų5698.1 Ų98.139%0.39255%0.546SS..Hα-helixtrans-57-28.2-176.1-39.80000113.4A530 L534A530-S532 PolarHBondContact O-N 3.28Å; S532-L534 VanDerWaalsContact C-N 3.29Å; S532-L534 PolarHBondContact O-N 3.01Å
533S57.4Low59.7Low71 Ų7189.4 Ų89.450%0.49751%0.509SS..Hα-helixtrans-73.9-15.6177.6790000114.1P531 K537P531-S533 PolarHBondContact O-N 3.32Å; S533-K537 WeakPolarHBondContact O-CD 3.42Å; S533-K537 WeakPolarHBondContact O-CE 3.45Å; S533-K537 VanDerWaalsContact O-CG 3.29Å; S533-K537 WeakPolarHBondContact O-CG 3.37Å; S533-K537 PolarHBondContact O-NZ 2.95Å
534L66.5Low62.1Low48 Ų4882.3 Ų82.325%0.25147%0.473SS..Hα-helixtrans-94.5-36.1177.7-70167.5000112L490 P531 S532 N536 K537L490-L534 HydrophobicContact CD2-CD1 4.03Å; P531-L534 PolarHBondContact O-N 2.96Å; S532-L534 VanDerWaalsContact C-N 3.29Å; S532-L534 PolarHBondContact O-N 3.01Å; L534-N536 VanDerWaalsContact C-N 3.25Å; L534-N536 PolarHBondContact O-N 3.41Å; L534-K537 HydrophobicContact CD2-CD 4.26Å; L534-K537 PolarHBondContact O-N 3.02Å
535L72.1Confident64Low4 Ų473.6 Ų73.62%0.02143%0.432CS..Hα-helixtrans-57.1-35.4-176.2-69.6178.9000114.3L510 P531 L546 L562 A565 A567L510-L535 HydrophobicContact CD1-CD2 4.21Å; L510-L535 HydrophobicContact CD2-CD2 3.69Å; P531-L535 PolarHBondContact O-N 2.84Å; L535-L546 HydrophobicContact CD2-CD1 3.89Å; L535-L562 HydrophobicContact CD2-CD2 4.02Å; L535-A565 HydrophobicContact CD1-CB 4.08Å; L535-A565 WeakPolarHBondContact CD1-O 3.42Å; L535-A567 HydrophobicContact CB-CB 4.29Å
536N76.1Confident65.9Low62 Ų6265.1 Ų65.133%0.33239%0.393SS..THydrogen-bonded Turntrans-100.60.2-175.7-62.9-40.8000113.5L534 G566 A567 D568L534-N536 VanDerWaalsContact C-N 3.25Å; L534-N536 PolarHBondContact O-N 3.41Å; N536-G566 PolarHBondContact ND2-O 3.42Å; N536-A567 WeakPolarHBondContact OD1-CA 3.13Å; N536-D568 PolarHBondContact OD1-N 3.44Å
537K79.4Confident68.3Low89 Ų8957.8 Ų57.839%0.38735%0.353SS..SBendtrans-76.2151.5171.7-79.4169.3-173.5155.50110.8S533 L534S533-K537 WeakPolarHBondContact O-CD 3.42Å; S533-K537 WeakPolarHBondContact O-CE 3.45Å; S533-K537 VanDerWaalsContact O-CG 3.29Å; S533-K537 WeakPolarHBondContact O-CG 3.37Å; S533-K537 PolarHBondContact O-NZ 2.95Å; L534-K537 HydrophobicContact CD2-CD 4.26Å; L534-K537 PolarHBondContact O-N 3.02Å
538P77.3Confident70.7Confident73 Ų7350.7 Ų50.747%0.47432%0.317SS..  trans-70.6133.4167.631.1-33.9000110.1
539I75.9Confident73.1Confident42 Ų4246.5 Ų46.522%0.21529%0.287CS..SBendtrans-80.2-48.1172.7-48.7166000109F495 F544 L546 V549F495-I539 HydrophobicContact CB-CD1 4.49Å; F495-I539 HydrophobicContact CB-CG2 4.47Å; F495-I539 HydrophobicContact CD2-CD1 3.98Å; F495-I539 HydrophobicContact CD2-CG2 4.24Å; I539-F544 PolarHBondContact N-O 3.26Å; I539-L546 HydrophobicContact CD1-CB 4.42Å; I539-L546 HydrophobicContact CD1-CD2 3.48Å; I539-L546 VanDerWaalsContact CD1-CD2 3.48Å; I539-L546 HydrophobicContact CD1-CG 3.77Å; I539-L546 HydrophobicContact CG1-CD2 4.37Å; I539-L546 HydrophobicContact CG1-CG 4.33Å; I539-V549 HydrophobicContact CD1-CG2 3.97Å
540D74.9Confident75.2Confident70 Ų7040.1 Ų40.137%0.37425%0.248SC..SBendtrans-99.2156.4-174.5-71-17.1000112S542 G543 F544D540-S542 WeakPolarHBondContact CB-OG 3.45Å; D540-S542 PolarHBondContact O-N 3.37Å; D540-S542 PolarHBondContact OD2-OG 3.39Å; D540-G543 PolarHBondContact O-N 3.26Å; D540-F544 HydrophobicContact CB-CB 4.46Å
541S75.3Confident77.4Confident128 Ų12837.2 Ų37.290%0.89522%0.224SC*.THydrogen-bonded Turntrans-58.2-8.3163.958.80000114.5N574S541-N574 PolarHBondContact O-ND2 3.4Å
542S74.4Confident79.2Confident35 Ų3537.5 Ų37.525%0.24523%0.23CC..THydrogen-bonded Turntrans-82.8-8.5173.270.60000114.1D540 F544 N574D540-S542 WeakPolarHBondContact CB-OG 3.45Å; D540-S542 PolarHBondContact O-N 3.37Å; D540-S542 PolarHBondContact OD2-OG 3.39Å; S542-F544 WeakPolarHBondContact OG-CD2 3.26Å; S542-N574 VanDerWaalsContact C-ND2 3.34Å; S542-N574 VanDerWaalsContact O-CB 3.3Å; S542-N574 WeakPolarHBondContact O-CB 3.43Å; S542-N574 PolarHBondContact O-N 3.24Å; S542-N574 PolarHBondContact O-ND2 2.88Å
543G81.1Confident80.8Confident10 Ų1036.6 Ų36.610%0.10323%0.226CC..  trans82.812.2-175.400000114.3D540 N574D540-G543 PolarHBondContact O-N 3.26Å; G543-N574 PolarHBondContact N-ND2 2.93Å
544F83.3Confident82.3Confident34 Ų3434.4 Ų34.415%0.14921%0.212CC..  trans-76.8123.2-177.5-88-130000111.8I539 D540 S542 H548 D573 V582I539-F544 PolarHBondContact N-O 3.26Å; D540-F544 HydrophobicContact CB-CB 4.46Å; S542-F544 WeakPolarHBondContact OG-CD2 3.26Å; F544-H548 HydrophobicContact CB-CB 4.32Å; F544-H548 HydrophobicContact CD1-CB 3.76Å; F544-H548 HydrophobicContact CE1-CB 4.26Å; F544-H548 HydrophobicContact CG-CB 4.1Å; F544-D573 HydrophobicContact CD2-CB 3.88Å; F544-D573 HydrophobicContact CE2-CB 3.82Å; F544-D573 WeakPolarHBondContact CE2-OD2 3.12Å; F544-V582 HydrophobicContact CE1-CG1 4.46Å
545S86.9Confident83.4Confident3 Ų334.8 Ų34.82%0.02121%0.212CC..  trans-87167.6168.167.10000112.2L547 H548 V549S545-L547 PolarHBondContact O-N 3.2Å; S545-L547 VanDerWaalsContact O-N 3.17Å; S545-H548 WeakPolarHBondContact O-CA 3.42Å; S545-H548 WeakPolarHBondContact O-CB 3.3Å; S545-H548 PolarHBondContact O-N 2.98Å; S545-H548 PolarHBondContact OG-ND1 3.49Å; S545-V549 PolarHBondContact O-N 3.21Å; S545-V549 VanDerWaalsContact O-N 3.15Å
546L87.3Confident84.3Confident5 Ų541.2 Ų41.23%0.02624%0.24CC..Hα-helixtrans-54-37.9178.7-72.1166.1000112.5L494 C498 L535 I539 H548 V549 A550 L562L494-L546 HydrophobicContact CB-CD1 4.34Å; L494-L546 HydrophobicContact CB-CD2 3.84Å; L494-L546 HydrophobicContact CD1-CD1 4.41Å; C498-L546 HydrophobicContact CB-CD2 4.4Å; L535-L546 HydrophobicContact CD2-CD1 3.89Å; I539-L546 HydrophobicContact CD1-CB 4.42Å; I539-L546 HydrophobicContact CD1-CD2 3.48Å; I539-L546 VanDerWaalsContact CD1-CD2 3.48Å; I539-L546 HydrophobicContact CD1-CG 3.77Å; I539-L546 HydrophobicContact CG1-CD2 4.37Å; I539-L546 HydrophobicContact CG1-CG 4.33Å; L546-H548 VanDerWaalsContact C-N 3.34Å; L546-H548 PolarHBondContact O-N 2.92Å; L546-V549 PolarHBondContact O-N 3.22Å; L546-A550 PolarHBondContact O-N 3.33Å; L546-L562 HydrophobicContact CB-CD1 4.24Å; L546-L562 HydrophobicContact CB-CD2 4.44Å
547L88.9Confident84.7Confident1 Ų140.7 Ų40.71%0.00525%0.245CC..Hα-helixtrans-67.6-31.5177.6-168.758.4000112.6S545 A551 V559 L562 L563 A567 P569 P579 F592S545-L547 PolarHBondContact O-N 3.2Å; S545-L547 VanDerWaalsContact O-N 3.17Å; L547-A551 WeakPolarHBondContact O-CB 3.31Å; L547-A551 PolarHBondContact O-N 2.92Å; L547-V559 HydrophobicContact CD1-CG1 4.23Å; L547-L562 HydrophobicContact CD1-CB 4.05Å; L547-L562 HydrophobicContact CD1-CD1 4.3Å; L547-L563 HydrophobicContact CD1-CD2 4.4Å; L547-L563 HydrophobicContact CD1-CG 4.23Å; L547-L563 HydrophobicContact CD2-CD2 3.89Å; L547-A567 HydrophobicContact CB-CB 4.32Å; L547-A567 HydrophobicContact CD2-CB 4.15Å; L547-P569 HydrophobicContact CD2-CB 4.37Å; L547-P579 HydrophobicContact CB-CG 4.15Å; L547-P579 HydrophobicContact CD2-CB 4.41Å; L547-P579 HydrophobicContact CD2-CG 4.04Å; L547-P579 HydrophobicContact CG-CB 3.89Å; L547-P579 HydrophobicContact CG-CG 3.83Å; L547-F592 HydrophobicContact CD1-CE1 4.1Å; L547-F592 HydrophobicContact CD1-CZ 4.21Å; L547-F592 HydrophobicContact CD2-CE1 4.2Å; L547-F592 HydrophobicContact CG-CE1 4.2Å; L547-F592 HydrophobicContact CG-CZ 4.41Å
548H89.7Confident85.1Confident1 Ų136.5 Ų36.51%0.00523%0.227CC..Hα-helixtrans-68-42.8170.7-73.289.8000111.8F544 S545 L546 A551 A552 C571 Q577 P579F544-H548 HydrophobicContact CB-CB 4.32Å; F544-H548 HydrophobicContact CD1-CB 3.76Å; F544-H548 HydrophobicContact CE1-CB 4.26Å; F544-H548 HydrophobicContact CG-CB 4.1Å; S545-H548 WeakPolarHBondContact O-CA 3.42Å; S545-H548 WeakPolarHBondContact O-CB 3.3Å; S545-H548 PolarHBondContact O-N 2.98Å; S545-H548 PolarHBondContact OG-ND1 3.49Å; L546-H548 VanDerWaalsContact C-N 3.34Å; L546-H548 PolarHBondContact O-N 2.92Å; H548-A551 PolarHBondContact O-N 3.33Å; H548-A552 VanDerWaalsContact O-CB 3.29Å; H548-A552 WeakPolarHBondContact O-CB 3.47Å; H548-A552 PolarHBondContact O-N 2.71Å; H548-C571 PolarHBondContact CE1-O 3.05Å; H548-Q577 PolarHBondContact NE2-O 2.78Å; H548-P579 WeakPolarHBondContact NE2-CD 3.45Å
549V89.1Confident85.6Confident11 Ų1133 Ų337%0.06720%0.204CC..Hα-helixtrans-63.2-49.6179.2177.90000110.8F495 C498 K499 I539 S545 L546 A551 A552 A553F495-V549 HydrophobicContact CD2-CG1 4.05Å; F495-V549 HydrophobicContact CD2-CG2 3.82Å; F495-V549 HydrophobicContact CE2-CG1 3.99Å; F495-V549 HydrophobicContact CE2-CG2 3.76Å; C498-V549 HydrophobicContact CB-CG1 4.35Å; K499-V549 HydrophobicContact CB-CG1 4.08Å; I539-V549 HydrophobicContact CD1-CG2 3.97Å; S545-V549 PolarHBondContact O-N 3.21Å; S545-V549 VanDerWaalsContact O-N 3.15Å; L546-V549 PolarHBondContact O-N 3.22Å; V549-A551 VanDerWaalsContact C-N 3.32Å; V549-A551 PolarHBondContact O-N 2.99Å; V549-A552 PolarHBondContact O-N 2.92Å; V549-A553 WeakPolarHBondContact O-CB 3.34Å; V549-A553 PolarHBondContact O-N 2.99Å
550A90Very high86.2Confident0 Ų035.5 Ų35.50%021%0.211CC..Hα-helixtrans-62.4-37.8177.300000112.9C498 L546 A554 Q555 V558 V559 L562C498-A550 HydrophobicContact CB-CB 4.39Å; L546-A550 PolarHBondContact O-N 3.33Å; A550-A554 PolarHBondContact O-N 2.81Å; A550-Q555 PolarHBondContact O-N 2.89Å; A550-V558 HydrophobicContact CB-CB 4.27Å; A550-V558 HydrophobicContact CB-CG1 3.44Å; A550-V558 VanDerWaalsContact CB-CG1 3.44Å; A550-V559 HydrophobicContact CB-CG2 3.72Å; A550-L562 HydrophobicContact CB-CD1 3.86Å
551A91.6Very high86.7Confident0 Ų033.9 Ų33.90%020%0.202CC..Hα-helixtrans-67.3-45.1175.500000112.4L547 H548 V549 A554 P579 A583 F592L547-A551 WeakPolarHBondContact O-CB 3.31Å; L547-A551 PolarHBondContact O-N 2.92Å; H548-A551 PolarHBondContact O-N 3.33Å; V549-A551 VanDerWaalsContact C-N 3.32Å; V549-A551 PolarHBondContact O-N 2.99Å; A551-A554 WeakPolarHBondContact O-CA 3.33Å; A551-A554 PolarHBondContact O-N 3.36Å; A551-P579 HydrophobicContact CB-CB 4.05Å; A551-P579 WeakPolarHBondContact CB-O 3.48Å; A551-A583 HydrophobicContact CB-CB 4.17Å; A551-A583 WeakPolarHBondContact O-CA 3.49Å; A551-F592 HydrophobicContact CB-CE2 4.47Å; A551-F592 HydrophobicContact CB-CZ 4.29Å
552A90Very high87.2Confident45 Ų4527.8 Ų27.837%0.37216%0.159SC..Hα-helixtrans-61.9-42.1176.900000112.2H548 V549 A554 V582H548-A552 VanDerWaalsContact O-CB 3.29Å; H548-A552 WeakPolarHBondContact O-CB 3.47Å; H548-A552 PolarHBondContact O-N 2.71Å; V549-A552 PolarHBondContact O-N 2.92Å; A552-A554 PolarHBondContact O-N 3.01Å; A552-V582 HydrophobicContact CB-CG1 3.71Å
553A89.6Confident87.8Confident37 Ų3726.1 Ų26.131%0.30615%0.147SC..THydrogen-bonded Turntrans-74.82.4174.300000113.8V549 Q555V549-A553 WeakPolarHBondContact O-CB 3.34Å; V549-A553 PolarHBondContact O-N 2.99Å; A553-Q555 HydrophobicContact CB-CG 3.77Å; A553-Q555 PolarHBondContact O-N 2.88Å; A553-Q555 VanDerWaalsContact O-N 3.16Å
554A88.7Confident88Confident24 Ų2430.3 Ų30.320%0.19816%0.164CC..THydrogen-bonded Turntrans58.319.1-178.400000115.6A550 A551 A552 K556 P584 D585 T588A550-A554 PolarHBondContact O-N 2.81Å; A551-A554 WeakPolarHBondContact O-CA 3.33Å; A551-A554 PolarHBondContact O-N 3.36Å; A552-A554 PolarHBondContact O-N 3.01Å; A554-K556 VanDerWaalsContact C-N 3.33Å; A554-K556 PolarHBondContact O-N 2.95Å; A554-P584 HydrophobicContact CB-CG 4.42Å; A554-D585 HydrophobicContact CB-CB 4.44Å; A554-T588 PolarHBondContact O-OG1 3.03Å; A554-T588 VanDerWaalsContact O-OG1 3.07Å
555Q89.5Confident87.9Confident57 Ų5729.9 Ų29.927%0.26617%0.167SC..  trans-75.575.8-171.5-61.3-66.25.600112.7K499 V500 G501 A550 A553 A557 V558 V559K499-Q555 PolarHBondContact O-NE2 2.82Å; K499-Q555 VanDerWaalsContact O-NE2 3.14Å; V500-Q555 PolarHBondContact O-NE2 3.38Å; G501-Q555 VanDerWaalsContact CA-CD 3.43Å; A550-Q555 PolarHBondContact O-N 2.89Å; A553-Q555 HydrophobicContact CB-CG 3.77Å; A553-Q555 PolarHBondContact O-N 2.88Å; A553-Q555 VanDerWaalsContact O-N 3.16Å; Q555-A557 PolarHBondContact O-N 2.93Å; Q555-V558 HydrophobicContact CB-CB 4.01Å; Q555-V558 HydrophobicContact CB-CG2 4.31Å; Q555-V558 PolarHBondContact O-N 2.97Å; Q555-V558 VanDerWaalsContact O-N 3.16Å; Q555-V559 WeakPolarHBondContact O-CG2 3.18Å; Q555-V559 PolarHBondContact O-N 3.44Å
556K90.5Very high87.6Confident138 Ų13830.9 Ų30.960%0.618%0.178SC*.Hα-helixtrans-49.2-32-174.470.8-173.5-179-175.90115.8A554 R560 V591A554-K556 VanDerWaalsContact C-N 3.33Å; A554-K556 PolarHBondContact O-N 2.95Å; K556-R560 PolarHBondContact O-N 3.13Å; K556-V591 HydrophobicContact CB-CG2 4.01Å
557A86.3Confident87.5Confident52 Ų5230.7 Ų30.743%0.4318%0.177SC..Hα-helixtrans-77.7-50.8-179.100000111V503 Q555 V559 R560 L561V503-A557 HydrophobicContact CG2-CB 3.81Å; Q555-A557 PolarHBondContact O-N 2.93Å; A557-V559 VanDerWaalsContact C-N 3.33Å; A557-V559 PolarHBondContact O-N 3.4Å; A557-R560 PolarHBondContact O-N 3.18Å; A557-R560 VanDerWaalsContact O-N 3.13Å; A557-L561 PolarHBondContact O-N 2.89Å
558V86.6Confident87.3Confident1 Ų132.4 Ų32.41%0.00619%0.186CC..Hα-helixtrans-55.4-46171.3168.70000111.2C498 V503 L506 A550 Q555 R560 L561 L562C498-V558 HydrophobicContact CB-CG1 4.22Å; V503-V558 HydrophobicContact CG2-CG2 4.29Å; L506-V558 HydrophobicContact CD2-CB 4.3Å; L506-V558 HydrophobicContact CD2-CG1 3.64Å; L506-V558 HydrophobicContact CD2-CG2 4.1Å; A550-V558 HydrophobicContact CB-CB 4.27Å; A550-V558 HydrophobicContact CB-CG1 3.44Å; A550-V558 VanDerWaalsContact CB-CG1 3.44Å; Q555-V558 HydrophobicContact CB-CB 4.01Å; Q555-V558 HydrophobicContact CB-CG2 4.31Å; Q555-V558 PolarHBondContact O-N 2.97Å; Q555-V558 VanDerWaalsContact O-N 3.16Å; V558-R560 VanDerWaalsContact C-N 3.3Å; V558-R560 PolarHBondContact O-N 3.46Å; V558-L561 PolarHBondContact O-N 2.98Å; V558-L561 VanDerWaalsContact O-N 3.12Å; V558-L562 HydrophobicContact CG1-CD1 3.71Å; V558-L562 HydrophobicContact CG1-CG 4.08Å; V558-L562 WeakPolarHBondContact O-CB 3.4Å; V558-L562 WeakPolarHBondContact O-CG 3.48Å; V558-L562 PolarHBondContact O-N 2.72Å
559V88.7Confident87.1Confident0 Ų032.5 Ų32.50%019%0.186CC..Hα-helixtrans-58.4-41.1177.2170.30000111.6L547 A550 Q555 A557 L563 T588 V591 F592L547-V559 HydrophobicContact CD1-CG1 4.23Å; A550-V559 HydrophobicContact CB-CG2 3.72Å; Q555-V559 WeakPolarHBondContact O-CG2 3.18Å; Q555-V559 PolarHBondContact O-N 3.44Å; A557-V559 VanDerWaalsContact C-N 3.33Å; A557-V559 PolarHBondContact O-N 3.4Å; V559-L563 HydrophobicContact CG1-CD1 4.16Å; V559-L563 WeakPolarHBondContact O-CD1 3.45Å; V559-L563 VanDerWaalsContact O-CG 3.23Å; V559-L563 WeakPolarHBondContact O-CG 3.44Å; V559-L563 PolarHBondContact O-N 3.22Å; V559-T588 HydrophobicContact CG2-CG2 4Å; V559-V591 HydrophobicContact CG1-CB 4.37Å; V559-V591 HydrophobicContact CG1-CG1 4.12Å; V559-F592 HydrophobicContact CG1-CD2 4.3Å; V559-F592 HydrophobicContact CG1-CE1 4.06Å; V559-F592 HydrophobicContact CG1-CE2 3.69Å; V559-F592 HydrophobicContact CG1-CZ 3.55Å
560R87.6Confident86.9Confident94 Ų9432.6 Ų32.636%0.35519%0.189SC..Hα-helixtrans-66.1-43.3175.1-174172.9174.694.39.7111.2K556 A557 V558 L563 H564 V591 E598K556-R560 PolarHBondContact O-N 3.13Å; A557-R560 PolarHBondContact O-N 3.18Å; A557-R560 VanDerWaalsContact O-N 3.13Å; V558-R560 VanDerWaalsContact C-N 3.3Å; V558-R560 PolarHBondContact O-N 3.46Å; R560-L563 PolarHBondContact O-N 2.85Å; R560-H564 VanDerWaalsContact CG-NE2 3.31Å; R560-H564 WeakPolarHBondContact CG-NE2 3.5Å; R560-H564 PolarHBondContact NE-NE2 3.22Å; R560-H564 PolarHBondContact NH2-NE2 3.11Å; R560-H564 PolarHBondContact O-CD2 3.15Å; R560-H564 PolarHBondContact O-N 3.36Å; R560-H564 VanDerWaalsContact O-N 3.17Å; R560-V591 HydrophobicContact CB-CG1 3.84Å; R560-V591 HydrophobicContact CG-CG1 4.46Å; R560-E598 IonicContact CZ-OE1 2.8Å; R560-E598 IonicContact CZ-OE2 3.66Å; R560-E598 VanDerWaalsContact CZ-OE2 3.23Å; R560-E598 VanDerWaalsContact NH1-CD 3.32Å; R560-E598 IonicContact NH1-OE1 3.72Å; R560-E598 PolarHBondContact NH1-OE1 3.28Å; R560-E598 IonicContact NH1-OE2 2.76Å; R560-E598 PolarHBondContact NH1-OE2 3.3Å; R560-E598 IonicContact NH2-OE1 3.31Å; R560-E598 IonicContact NH2-OE2 3.59Å; R560-E598 PolarHBondContact NH2-OE2 3.44Å
561L85.7Confident86.7Confident35 Ų3533.9 Ų33.918%0.18320%0.197CC..Hα-helixtrans-65.9-45.4-178.7-173128.7000112.4V503 L506 C507 L510 L512 A557 V558 L563 H564 A565V503-L561 HydrophobicContact CG1-CD1 4.03Å; L506-L561 HydrophobicContact CD2-CD2 3.83Å; L506-L561 HydrophobicContact CG-CD2 3.99Å; C507-L561 WeakPolarHBondContact SG-CD1 3.23Å; L510-L561 HydrophobicContact CD1-CD2 4.22Å; L512-L561 HydrophobicContact CD1-CD2 3.89Å; L512-L561 HydrophobicContact CD1-CG 4.34Å; A557-L561 PolarHBondContact O-N 2.89Å; V558-L561 PolarHBondContact O-N 2.98Å; V558-L561 VanDerWaalsContact O-N 3.12Å; L561-L563 VanDerWaalsContact C-N 3.31Å; L561-L563 PolarHBondContact O-N 3.3Å; L561-H564 PolarHBondContact O-N 3.38Å; L561-H564 VanDerWaalsContact O-N 3.16Å; L561-A565 WeakPolarHBondContact O-CB 3.4Å; L561-A565 PolarHBondContact O-N 2.91Å
562L86.5Confident86.4Confident0 Ų040.9 Ų40.90%022%0.224CC..Hα-helixtrans-59.6-39.3176.6-70.9174.1000112.3L506 L510 L535 L546 L547 A550 V558 A565 G566 A567L506-L562 HydrophobicContact CD2-CD2 4.18Å; L506-L562 HydrophobicContact CD2-CG 4.31Å; L510-L562 HydrophobicContact CD1-CD2 4.2Å; L535-L562 HydrophobicContact CD2-CD2 4.02Å; L546-L562 HydrophobicContact CB-CD1 4.24Å; L546-L562 HydrophobicContact CB-CD2 4.44Å; L547-L562 HydrophobicContact CD1-CB 4.05Å; L547-L562 HydrophobicContact CD1-CD1 4.3Å; A550-L562 HydrophobicContact CB-CD1 3.86Å; V558-L562 HydrophobicContact CG1-CD1 3.71Å; V558-L562 HydrophobicContact CG1-CG 4.08Å; V558-L562 WeakPolarHBondContact O-CB 3.4Å; V558-L562 WeakPolarHBondContact O-CG 3.48Å; V558-L562 PolarHBondContact O-N 2.72Å; L562-A565 PolarHBondContact O-N 2.96Å; L562-G566 PolarHBondContact O-N 3.19Å; L562-A567 HydrophobicContact CB-CB 4.02Å; L562-A567 VanDerWaalsContact O-CB 3.22Å; L562-A567 WeakPolarHBondContact O-CB 3.28Å; L562-A567 PolarHBondContact O-N 3.34Å
563L87.3Confident86.2Confident1 Ų139.1 Ų39.11%0.00521%0.208CC..Hα-helixtrans-65.5-39.3175.8-70.8166.8000112.2L547 V559 R560 L561 P569 F592 Y595 Y603L547-L563 HydrophobicContact CD1-CD2 4.4Å; L547-L563 HydrophobicContact CD1-CG 4.23Å; L547-L563 HydrophobicContact CD2-CD2 3.89Å; V559-L563 HydrophobicContact CG1-CD1 4.16Å; V559-L563 WeakPolarHBondContact O-CD1 3.45Å; V559-L563 VanDerWaalsContact O-CG 3.23Å; V559-L563 WeakPolarHBondContact O-CG 3.44Å; V559-L563 PolarHBondContact O-N 3.22Å; R560-L563 PolarHBondContact O-N 2.85Å; L561-L563 VanDerWaalsContact C-N 3.31Å; L561-L563 PolarHBondContact O-N 3.3Å; L563-P569 HydrophobicContact CD2-CB 4.04Å; L563-P569 HydrophobicContact CD2-CG 4.1Å; L563-F592 HydrophobicContact CD1-CD1 3.88Å; L563-F592 HydrophobicContact CD1-CE1 4.13Å; L563-F592 HydrophobicContact CD2-CD1 4.25Å; L563-F592 HydrophobicContact CD2-CE1 4.23Å; L563-Y595 HydrophobicContact CB-CD1 4.41Å; L563-Y595 HydrophobicContact CB-CD2 3.62Å; L563-Y595 HydrophobicContact CB-CE1 4.41Å; L563-Y595 HydrophobicContact CB-CE2 3.57Å; L563-Y595 HydrophobicContact CB-CG 4.05Å; L563-Y595 HydrophobicContact CD1-CD2 4.24Å; L563-Y595 HydrophobicContact CD1-CG 4.04Å; L563-Y595 PolarHBondContact O-OH 3.16Å; L563-Y603 PolarHBondContact O-OH 2.92Å
564H83.5Confident86.1Confident98 Ų9843.2 Ų43.245%0.45423%0.225SC..Hα-helixtrans-66.2-38.1172-76-62.8000112.1R560 L561 G566 Y595 E598R560-H564 VanDerWaalsContact CG-NE2 3.31Å; R560-H564 WeakPolarHBondContact CG-NE2 3.5Å; R560-H564 PolarHBondContact NE-NE2 3.22Å; R560-H564 PolarHBondContact NH2-NE2 3.11Å; R560-H564 PolarHBondContact O-CD2 3.15Å; R560-H564 PolarHBondContact O-N 3.36Å; R560-H564 VanDerWaalsContact O-N 3.17Å; L561-H564 PolarHBondContact O-N 3.38Å; L561-H564 VanDerWaalsContact O-N 3.16Å; H564-G566 PolarHBondContact O-N 3.29Å; H564-Y595 AromaticContact ND1-CE2 3.68Å; H564-E598 IonicContact CE1-OE2 2.72Å; H564-E598 IonicContact NE2-OE2 3.9Å
565A82.2Confident85.9Confident24 Ų2449.4 Ų49.420%0.19825%0.247CC..THydrogen-bonded Turntrans-74.40.2179.600000115.3L510 L512 L535 L561 L562L510-A565 HydrophobicContact CD1-CB 4.45Å; L512-A565 HydrophobicContact CD1-CB 4.16Å; L512-A565 HydrophobicContact CD2-CB 4.46Å; L535-A565 HydrophobicContact CD1-CB 4.08Å; L535-A565 WeakPolarHBondContact CD1-O 3.42Å; L561-A565 WeakPolarHBondContact O-CB 3.4Å; L561-A565 PolarHBondContact O-N 2.91Å; L562-A565 PolarHBondContact O-N 2.96Å
566G79.9Confident85.6Confident25 Ų2547.7 Ų47.726%0.25825%0.245SC..THydrogen-bonded Turntrans99.612.4175.800000116.2N536 L562 H564 Y603N536-G566 PolarHBondContact ND2-O 3.42Å; L562-G566 PolarHBondContact O-N 3.19Å; H564-G566 PolarHBondContact O-N 3.29Å; G566-Y603 VanDerWaalsContact CA-OH 3.31Å; G566-Y603 WeakPolarHBondContact CA-OH 3.27Å
567A85.9Confident85.5Confident0 Ų044.6 Ų44.60%023%0.232CC..  trans-75.7123.6173.700000111.1L535 N536 L547 L562L535-A567 HydrophobicContact CB-CB 4.29Å; N536-A567 WeakPolarHBondContact OD1-CA 3.13Å; L547-A567 HydrophobicContact CB-CB 4.32Å; L547-A567 HydrophobicContact CD2-CB 4.15Å; L562-A567 HydrophobicContact CB-CB 4.02Å; L562-A567 VanDerWaalsContact O-CB 3.22Å; L562-A567 WeakPolarHBondContact O-CB 3.28Å; L562-A567 PolarHBondContact O-N 3.34Å
568D83.9Confident85.6Confident38 Ų3842.1 Ų42.120%0.20321%0.212CC..  trans-79.8121.3-173.3165.542.5000112.3N536 A570 C571 Y603N536-D568 PolarHBondContact OD1-N 3.44Å; D568-A570 VanDerWaalsContact CG-N 3.33Å; D568-A570 PolarHBondContact O-N 2.94Å; D568-A570 VanDerWaalsContact OD1-CB 3.29Å; D568-A570 WeakPolarHBondContact OD1-CB 3.46Å; D568-A570 PolarHBondContact OD1-N 3.4Å; D568-A570 WeakPolarHBondContact OD2-CB 3.19Å; D568-A570 PolarHBondContact OD2-N 3.06Å; D568-C571 WeakPolarHBondContact O-CB 3.3Å; D568-C571 PolarHBondContact O-N 3.41Å; D568-C571 PolarHBondContact OD2-N 2.76Å; D568-C571 PolarHBondContact OD2-SG 3.32Å; D568-C571 VanDerWaalsContact OD2-SG 3.38Å; D568-Y603 HydrophobicContact CB-CD1 4.15Å; D568-Y603 HydrophobicContact CB-CE1 4.1Å
569P85.8Confident85.7Confident2 Ų242 Ų421%0.01321%0.211CC..THydrogen-bonded Turntrans-70.2-11.9175.330.8-35.8000114.1L547 L563 F592 Y603 Y605 A608L547-P569 HydrophobicContact CD2-CB 4.37Å; L563-P569 HydrophobicContact CD2-CB 4.04Å; L563-P569 HydrophobicContact CD2-CG 4.1Å; P569-F592 HydrophobicContact CB-CD1 4.07Å; P569-F592 HydrophobicContact CB-CE1 4.23Å; P569-Y603 HydrophobicContact CG-CD2 4.04Å; P569-Y603 HydrophobicContact CG-CG 4.05Å; P569-Y605 HydrophobicContact CG-CD1 4.38Å; P569-Y605 HydrophobicContact CG-CE1 4.12Å; P569-A608 HydrophobicContact CB-CB 4.07Å; P569-A608 HydrophobicContact CG-CB 4.36Å; P569-A608 VanDerWaalsContact O-CB 3.24Å; P569-A608 WeakPolarHBondContact O-CB 3.42Å
570A85.3Confident85.7Confident14 Ų1443.6 Ų43.612%0.11622%0.218CC..THydrogen-bonded Turntrans-85.4-9.9176.200000114.6D568 R572 D604 K607 A608D568-A570 VanDerWaalsContact CG-N 3.33Å; D568-A570 PolarHBondContact O-N 2.94Å; D568-A570 VanDerWaalsContact OD1-CB 3.29Å; D568-A570 WeakPolarHBondContact OD1-CB 3.46Å; D568-A570 PolarHBondContact OD1-N 3.4Å; D568-A570 WeakPolarHBondContact OD2-CB 3.19Å; D568-A570 PolarHBondContact OD2-N 3.06Å; A570-R572 WeakPolarHBondContact O-CG 3.39Å; A570-D604 HydrophobicContact CB-CB 4.34Å; A570-K607 HydrophobicContact CB-CB 3.92Å; A570-A608 HydrophobicContact CB-CB 4.23Å
571C85.6Confident85.8Confident26 Ų2641.9 Ų41.918%0.17622%0.217CC..  trans-52145169.1-76.30000112.1H548 D568 P579H548-C571 PolarHBondContact CE1-O 3.05Å; D568-C571 WeakPolarHBondContact O-CB 3.3Å; D568-C571 PolarHBondContact O-N 3.41Å; D568-C571 PolarHBondContact OD2-N 2.76Å; D568-C571 PolarHBondContact OD2-SG 3.32Å; D568-C571 VanDerWaalsContact OD2-SG 3.38Å; C571-P579 WeakPolarHBondContact O-CD 3.2Å
572R85.4Confident85.9Confident148 Ų14841.6 Ų41.656%0.55822%0.217SC*.  trans-129.9140.4-175.1-55.6178.974.4-172.22.1112.3A570 G576 Q577 T578A570-R572 WeakPolarHBondContact O-CG 3.39Å; R572-G576 VanDerWaalsContact CZ-O 3.27Å; R572-G576 PolarHBondContact NE-O 2.98Å; R572-G576 PolarHBondContact NH2-O 3.1Å; R572-Q577 CarbonylContact C-O 3.55Å; R572-Q577 WeakPolarHBondContact CA-O 3.43Å; R572-T578 HydrophobicContact CG-CG2 4.09Å
573D87.1Confident86.1Confident7 Ų741.7 Ų41.74%0.03722%0.218CC..  trans-72.1173.9172.182.2-14.5000112.3F544 K575 G576 Q577F544-D573 HydrophobicContact CD2-CB 3.88Å; F544-D573 HydrophobicContact CE2-CB 3.82Å; F544-D573 WeakPolarHBondContact CE2-OD2 3.12Å; D573-K575 PolarHBondContact O-N 2.77Å; D573-K575 VanDerWaalsContact OD1-C 3.23Å; D573-K575 VanDerWaalsContact OD1-CA 3.26Å; D573-K575 WeakPolarHBondContact OD1-CA 3.33Å; D573-K575 VanDerWaalsContact OD1-CB 3.32Å; D573-K575 WeakPolarHBondContact OD1-CB 3.5Å; D573-K575 PolarHBondContact OD1-N 2.85Å; D573-G576 PolarHBondContact O-N 3.19Å; D573-G576 PolarHBondContact OD1-N 3.09Å; D573-Q577 PolarHBondContact N-O 2.91Å; D573-Q577 WeakPolarHBondContact OD1-CB 3.19Å; D573-Q577 PolarHBondContact OD1-N 2.86Å; D573-Q577 PolarHBondContact OD2-NE2 3.31Å
574N86.1Confident86.1Confident123 Ų12345.4 Ų45.466%0.65824%0.242SC*.THydrogen-bonded Turntrans-65.90.7177.4-67.3-10000113.9S541 S542 G543S541-N574 PolarHBondContact O-ND2 3.4Å; S542-N574 VanDerWaalsContact C-ND2 3.34Å; S542-N574 VanDerWaalsContact O-CB 3.3Å; S542-N574 WeakPolarHBondContact O-CB 3.43Å; S542-N574 PolarHBondContact O-N 3.24Å; S542-N574 PolarHBondContact O-ND2 2.88Å; G543-N574 PolarHBondContact N-ND2 2.93Å
575K83.9Confident86.3Confident155 Ų15545 Ų4567%0.67424%0.243SC*.THydrogen-bonded Turntrans-109.71.9173.8-56.4161.1-171.6155.40111.6D573 Q577D573-K575 PolarHBondContact O-N 2.77Å; D573-K575 VanDerWaalsContact OD1-C 3.23Å; D573-K575 VanDerWaalsContact OD1-CA 3.26Å; D573-K575 WeakPolarHBondContact OD1-CA 3.33Å; D573-K575 VanDerWaalsContact OD1-CB 3.32Å; D573-K575 WeakPolarHBondContact OD1-CB 3.5Å; D573-K575 PolarHBondContact OD1-N 2.85Å; K575-Q577 VanDerWaalsContact C-N 3.34Å; K575-Q577 HydrophobicContact CB-CG 4.33Å
576G84.4Confident86.6Confident21 Ų2150.4 Ų50.422%0.21626%0.263CS..SBendtrans76.513.6-178.900000114.9R572 D573R572-G576 VanDerWaalsContact CZ-O 3.27Å; R572-G576 PolarHBondContact NE-O 2.98Å; R572-G576 PolarHBondContact NH2-O 3.1Å; D573-G576 PolarHBondContact O-N 3.19Å; D573-G576 PolarHBondContact OD1-N 3.09Å
577Q88Confident86.8Confident72 Ų7254.3 Ų54.334%0.33628%0.278SS..  trans-80148.8174.9-59.8178109.800110.4H548 R572 D573 K575 T581 V582H548-Q577 PolarHBondContact NE2-O 2.78Å; R572-Q577 CarbonylContact C-O 3.55Å; R572-Q577 WeakPolarHBondContact CA-O 3.43Å; D573-Q577 PolarHBondContact N-O 2.91Å; D573-Q577 WeakPolarHBondContact OD1-CB 3.19Å; D573-Q577 PolarHBondContact OD1-N 2.86Å; D573-Q577 PolarHBondContact OD2-NE2 3.31Å; K575-Q577 VanDerWaalsContact C-N 3.34Å; K575-Q577 HydrophobicContact CB-CG 4.33Å; Q577-T581 WeakPolarHBondContact CB-OG1 3.26Å; Q577-V582 HydrophobicContact CB-CG2 3.91Å
578T89.4Confident86.8Confident0 Ų054.6 Ų54.60%028%0.279CS..  trans-102.8162.8171670000110.3R572 Y580 T581 V582 A608 Q609R572-T578 HydrophobicContact CG-CG2 4.09Å; T578-Y580 PolarHBondContact O-N 3.06Å; T578-Y580 VanDerWaalsContact O-N 3.13Å; T578-T581 PolarHBondContact N-OG1 2.83Å; T578-T581 PolarHBondContact O-N 2.75Å; T578-T581 PolarHBondContact O-OG1 2.99Å; T578-V582 PolarHBondContact O-N 2.7Å; T578-A608 WeakPolarHBondContact CB-O 3.29Å; T578-A608 PolarHBondContact OG1-O 2.52Å; T578-Q609 HydrophobicContact CG2-CG 4.39Å
579P88.6Confident87.1Confident0 Ų056.7 Ų56.70%028%0.284CS..Hα-helixtrans-53.7-36.3177.1-27.735.7000113.3L547 H548 A551 C571 T581 V582 A583 F592L547-P579 HydrophobicContact CB-CG 4.15Å; L547-P579 HydrophobicContact CD2-CB 4.41Å; L547-P579 HydrophobicContact CD2-CG 4.04Å; L547-P579 HydrophobicContact CG-CB 3.89Å; L547-P579 HydrophobicContact CG-CG 3.83Å; H548-P579 WeakPolarHBondContact NE2-CD 3.45Å; A551-P579 HydrophobicContact CB-CB 4.05Å; A551-P579 WeakPolarHBondContact CB-O 3.48Å; C571-P579 WeakPolarHBondContact O-CD 3.2Å; P579-T581 VanDerWaalsContact C-N 3.31Å; P579-T581 PolarHBondContact O-N 2.8Å; P579-V582 PolarHBondContact O-N 3.44Å; P579-A583 PolarHBondContact O-N 2.82Å; P579-A583 VanDerWaalsContact O-N 3.16Å; P579-F592 HydrophobicContact CB-CE1 4.07Å; P579-F592 HydrophobicContact CB-CZ 3.74Å
580Y88.6Confident87.2Confident33 Ų3357.4 Ų57.413%0.12929%0.288CS..Hα-helixtrans-60.6-37.1175.3179-91.9000113.1T578 R589 F592 R593 Q609 V610 P611T578-Y580 PolarHBondContact O-N 3.06Å; T578-Y580 VanDerWaalsContact O-N 3.13Å; Y580-R589 HydrophobicContact CD2-CB 4.11Å; Y580-R589 HydrophobicContact CD2-CG 3.9Å; Y580-R589 HydrophobicContact CE2-CB 3.51Å; Y580-R589 HydrophobicContact CE2-CG 3.67Å; Y580-R589 WeakPolarHBondContact CE2-O 3.33Å; Y580-R589 HydrophobicContact CG-CG 4.48Å; Y580-R589 VanDerWaalsContact O-CD 3.29Å; Y580-R589 WeakPolarHBondContact O-CD 3.45Å; Y580-R589 WeakPolarHBondContact O-CG 3.49Å; Y580-F592 HydrophobicContact CD2-CB 4.02Å; Y580-F592 HydrophobicContact CD2-CD2 4.09Å; Y580-F592 HydrophobicContact CD2-CG 4.24Å; Y580-R593 HydrophobicContact CE2-CG 4.1Å; Y580-Q609 WeakPolarHBondContact CD1-O 3.32Å; Y580-V610 HydrophobicContact CD2-CG1 4.38Å; Y580-V610 HydrophobicContact CD2-CG2 4.03Å; Y580-V610 HydrophobicContact CG-CG2 4Å; Y580-P611 VanDerWaalsContact CE1-CD 3.45Å; Y580-P611 HydrophobicContact CE1-CG 4.13Å; Y580-P611 VanDerWaalsContact OH-CD 3.27Å; Y580-P611 WeakPolarHBondContact OH-CD 3.39Å
581T87.9Confident87.3Confident57 Ų5757.8 Ų57.835%0.3529%0.289SS..Hα-helixtrans-78.5-30179.860.80000113.4Q577 T578 P579 Q609Q577-T581 WeakPolarHBondContact CB-OG1 3.26Å; T578-T581 PolarHBondContact N-OG1 2.83Å; T578-T581 PolarHBondContact O-N 2.75Å; T578-T581 PolarHBondContact O-OG1 2.99Å; P579-T581 VanDerWaalsContact C-N 3.31Å; P579-T581 PolarHBondContact O-N 2.8Å; T581-Q609 HydrophobicContact CG2-CB 4.44Å
582V89.1Confident87.4Confident29 Ų2956.8 Ų56.818%0.17628%0.281CS..Hα-helixtrans-77-27.3178.7179.50000111.9F544 A552 Q577 T578 P579 P584F544-V582 HydrophobicContact CE1-CG1 4.46Å; A552-V582 HydrophobicContact CB-CG1 3.71Å; Q577-V582 HydrophobicContact CB-CG2 3.91Å; T578-V582 PolarHBondContact O-N 2.7Å; P579-V582 PolarHBondContact O-N 3.44Å; V582-P584 VanDerWaalsContact O-CD 3.3Å; V582-P584 WeakPolarHBondContact O-CD 3.4Å
583A90Very high87.4Confident3 Ų351.6 Ų51.63%0.02526%0.262CS..  trans-61.4112.9179.100000113.1A551 P579 T588 R589A551-A583 HydrophobicContact CB-CB 4.17Å; A551-A583 WeakPolarHBondContact O-CA 3.49Å; P579-A583 PolarHBondContact O-N 2.82Å; P579-A583 VanDerWaalsContact O-N 3.16Å; A583-T588 HydrophobicContact CB-CG2 4.36Å; A583-R589 HydrophobicContact CB-CG 3.67Å; A583-R589 WeakPolarHBondContact O-CD 3.48Å; A583-R589 PolarHBondContact O-NE 3.16Å; A583-R589 VanDerWaalsContact O-NE 3.15Å
584P87.6Confident87.3Confident78 Ų7854.8 Ų54.851%0.50628%0.275SS..  trans-69.2-42.7-176.827.2-33.1000111.3A554 V582 R589A554-P584 HydrophobicContact CB-CG 4.42Å; V582-P584 VanDerWaalsContact O-CD 3.3Å; V582-P584 WeakPolarHBondContact O-CD 3.4Å; P584-R589 PolarHBondContact O-NH2 3.46Å
585D87.8Confident87.1Confident90 Ų9049 Ų4948%0.48124%0.244SC..SBendtrans-77.3150.6-174.4-85-51000113.7A554 D587 R589A554-D585 HydrophobicContact CB-CB 4.44Å; D585-D587 VanDerWaalsContact C-N 3.34Å; D585-R589 PolarHBondContact O-N 3.44Å; D585-R589 PolarHBondContact O-NE 3.07Å
586K87.3Confident87.1Confident138 Ų13842.3 Ų42.360%0.622%0.216SC*.Hα-helixtrans-69.9-35.6174.9-166.8-161168.3-1510111R589 N590K586-R589 CarbonylContact O-C 3.39Å; K586-R589 WeakPolarHBondContact O-CB 3.19Å; K586-R589 PolarHBondContact O-N 3.29Å; K586-N590 PolarHBondContact O-N 3.5Å; K586-N590 PolarHBondContact O-ND2 2.97Å; K586-N590 VanDerWaalsContact O-ND2 3.09Å; K586-N590 PolarHBondContact O-OD1 2.93Å
587D85.2Confident86.8Confident107 Ų10743 Ų4357%0.57222%0.223SC*.Hα-helixtrans-78.4-34.6-171-62.3-35.2000112.5D585 R589 N590 V591D585-D587 VanDerWaalsContact C-N 3.34Å; D587-R589 VanDerWaalsContact C-N 3.34Å; D587-N590 WeakPolarHBondContact O-CA 3.5Å; D587-N590 WeakPolarHBondContact O-CB 3.27Å; D587-N590 PolarHBondContact O-N 3.18Å; D587-N590 VanDerWaalsContact O-N 3.1Å; D587-N590 PolarHBondContact OD1-ND2 3.19Å; D587-V591 PolarHBondContact O-N 2.85Å
588T86.8Confident86.4Confident5 Ų543.7 Ų43.73%0.03123%0.226CC..Hα-helixtrans-62.5-41.1167.3-42.90000111A554 V559 A583 N590 V591 F592A554-T588 PolarHBondContact O-OG1 3.03Å; A554-T588 VanDerWaalsContact O-OG1 3.07Å; V559-T588 HydrophobicContact CG2-CG2 4Å; A583-T588 HydrophobicContact CB-CG2 4.36Å; T588-N590 VanDerWaalsContact C-N 3.29Å; T588-N590 PolarHBondContact O-N 3.05Å; T588-V591 VanDerWaalsContact O-CB 3.31Å; T588-V591 WeakPolarHBondContact O-CB 3.4Å; T588-V591 PolarHBondContact O-N 3.35Å; T588-F592 WeakPolarHBondContact O-CD2 3.49Å
589R88.7Confident86Confident83 Ų8345.5 Ų45.531%0.31324%0.235SC..Hα-helixtrans-65-28.8171.1-77.5-178.7-72.7170.3-12.7113.8Y580 A583 P584 D585 K586 D587 V591 R593Y580-R589 HydrophobicContact CD2-CB 4.11Å; Y580-R589 HydrophobicContact CD2-CG 3.9Å; Y580-R589 HydrophobicContact CE2-CB 3.51Å; Y580-R589 HydrophobicContact CE2-CG 3.67Å; Y580-R589 WeakPolarHBondContact CE2-O 3.33Å; Y580-R589 HydrophobicContact CG-CG 4.48Å; Y580-R589 VanDerWaalsContact O-CD 3.29Å; Y580-R589 WeakPolarHBondContact O-CD 3.45Å; Y580-R589 WeakPolarHBondContact O-CG 3.49Å; A583-R589 HydrophobicContact CB-CG 3.67Å; A583-R589 WeakPolarHBondContact O-CD 3.48Å; A583-R589 PolarHBondContact O-NE 3.16Å; A583-R589 VanDerWaalsContact O-NE 3.15Å; P584-R589 PolarHBondContact O-NH2 3.46Å; D585-R589 PolarHBondContact O-N 3.44Å; D585-R589 PolarHBondContact O-NE 3.07Å; K586-R589 CarbonylContact O-C 3.39Å; K586-R589 WeakPolarHBondContact O-CB 3.19Å; K586-R589 PolarHBondContact O-N 3.29Å; D587-R589 VanDerWaalsContact C-N 3.34Å; R589-V591 VanDerWaalsContact C-N 3.29Å; R589-R593 WeakPolarHBondContact O-CG 3.38Å; R589-R593 PolarHBondContact O-N 3.04Å
590N87.6Confident85.4Confident17 Ų1749.2 Ų49.29%0.09126%0.259CS..Hα-helixtrans-70.5-23.6172-61.9-36.6000112K586 D587 T588 R593 K594 L614K586-N590 PolarHBondContact O-N 3.5Å; K586-N590 PolarHBondContact O-ND2 2.97Å; K586-N590 VanDerWaalsContact O-ND2 3.09Å; K586-N590 PolarHBondContact O-OD1 2.93Å; D587-N590 WeakPolarHBondContact O-CA 3.5Å; D587-N590 WeakPolarHBondContact O-CB 3.27Å; D587-N590 PolarHBondContact O-N 3.18Å; D587-N590 VanDerWaalsContact O-N 3.1Å; D587-N590 PolarHBondContact OD1-ND2 3.19Å; T588-N590 VanDerWaalsContact C-N 3.29Å; T588-N590 PolarHBondContact O-N 3.05Å; N590-R593 PolarHBondContact O-N 3.29Å; N590-K594 WeakPolarHBondContact O-CB 3.48Å; N590-K594 WeakPolarHBondContact O-CG 3.44Å; N590-K594 PolarHBondContact O-N 3.06Å; N590-L614 HydrophobicContact CB-CD2 3.69Å
591V87.8Confident84.8Confident22 Ų2255.1 Ų55.113%0.13329%0.294CS..Hα-helixtrans-62.5-53.5174.7-178.50000110.6K556 V559 R560 D587 T588 R589 R593 K594 Y595K556-V591 HydrophobicContact CB-CG2 4.01Å; V559-V591 HydrophobicContact CG1-CB 4.37Å; V559-V591 HydrophobicContact CG1-CG1 4.12Å; R560-V591 HydrophobicContact CB-CG1 3.84Å; R560-V591 HydrophobicContact CG-CG1 4.46Å; D587-V591 PolarHBondContact O-N 2.85Å; T588-V591 VanDerWaalsContact O-CB 3.31Å; T588-V591 WeakPolarHBondContact O-CB 3.4Å; T588-V591 PolarHBondContact O-N 3.35Å; R589-V591 VanDerWaalsContact C-N 3.29Å; V591-R593 PolarHBondContact O-N 3.4Å; V591-K594 PolarHBondContact O-N 3.41Å; V591-Y595 PolarHBondContact O-N 3.47Å
592F87.1Confident84.3Confident4 Ų457.8 Ų57.82%0.01830%0.3CS..Hα-helixtrans-54.5-41.6175-63.6-83.5000112.1L547 A551 V559 L563 P569 P579 Y580 T588 K594 M596 V610L547-F592 HydrophobicContact CD1-CE1 4.1Å; L547-F592 HydrophobicContact CD1-CZ 4.21Å; L547-F592 HydrophobicContact CD2-CE1 4.2Å; L547-F592 HydrophobicContact CG-CE1 4.2Å; L547-F592 HydrophobicContact CG-CZ 4.41Å; A551-F592 HydrophobicContact CB-CE2 4.47Å; A551-F592 HydrophobicContact CB-CZ 4.29Å; V559-F592 HydrophobicContact CG1-CD2 4.3Å; V559-F592 HydrophobicContact CG1-CE1 4.06Å; V559-F592 HydrophobicContact CG1-CE2 3.69Å; V559-F592 HydrophobicContact CG1-CZ 3.55Å; L563-F592 HydrophobicContact CD1-CD1 3.88Å; L563-F592 HydrophobicContact CD1-CE1 4.13Å; L563-F592 HydrophobicContact CD2-CD1 4.25Å; L563-F592 HydrophobicContact CD2-CE1 4.23Å; P569-F592 HydrophobicContact CB-CD1 4.07Å; P569-F592 HydrophobicContact CB-CE1 4.23Å; P579-F592 HydrophobicContact CB-CE1 4.07Å; P579-F592 HydrophobicContact CB-CZ 3.74Å; Y580-F592 HydrophobicContact CD2-CB 4.02Å; Y580-F592 HydrophobicContact CD2-CD2 4.09Å; Y580-F592 HydrophobicContact CD2-CG 4.24Å; T588-F592 WeakPolarHBondContact O-CD2 3.49Å; F592-K594 VanDerWaalsContact C-N 3.3Å; F592-K594 PolarHBondContact O-N 2.87Å; F592-M596 VanDerWaalsContact O-CB 3.31Å; F592-M596 WeakPolarHBondContact O-CB 3.43Å; F592-M596 PolarHBondContact O-N 3.04Å; F592-V610 HydrophobicContact CB-CG1 4.24Å; F592-V610 HydrophobicContact CB-CG2 4.17Å
593R86.7Confident83.9Confident39 Ų3958.4 Ų58.415%0.14730%0.3CS..Hα-helixtrans-74.3-15.1179.6-64.9-179.464-110.6-13.2114.5Y580 R589 N590 V591 V610 P611 G612 L614Y580-R593 HydrophobicContact CE2-CG 4.1Å; R589-R593 WeakPolarHBondContact O-CG 3.38Å; R589-R593 PolarHBondContact O-N 3.04Å; N590-R593 PolarHBondContact O-N 3.29Å; V591-R593 PolarHBondContact O-N 3.4Å; R593-V610 HydrophobicContact CB-CG1 4.42Å; R593-V610 HydrophobicContact CG-CG1 3.51Å; R593-P611 WeakPolarHBondContact CD-O 3.43Å; R593-P611 WeakPolarHBondContact CG-O 3.26Å; R593-P611 PolarHBondContact NE-O 2.94Å; R593-G612 PolarHBondContact NE-O 3Å; R593-G612 PolarHBondContact NH2-O 3.02Å; R593-L614 HydrophobicContact CB-CB 3.89Å; R593-L614 PolarHBondContact O-N 3.03Å
594K84.3Confident83.4Confident75 Ų7562.3 Ų62.333%0.32632%0.32SS..Hα-helixtrans-89.8-45.8170.2-75.2-173.2177.8-161.30110.9N590 V591 F592 M596 G597 E598 L614 E619N590-K594 WeakPolarHBondContact O-CB 3.48Å; N590-K594 WeakPolarHBondContact O-CG 3.44Å; N590-K594 PolarHBondContact O-N 3.06Å; V591-K594 PolarHBondContact O-N 3.41Å; F592-K594 VanDerWaalsContact C-N 3.3Å; F592-K594 PolarHBondContact O-N 2.87Å; K594-M596 VanDerWaalsContact C-N 3.3Å; K594-M596 PolarHBondContact O-N 2.95Å; K594-G597 CarbonylContact O-C 3.56Å; K594-G597 VanDerWaalsContact O-CA 3.32Å; K594-G597 WeakPolarHBondContact O-CA 3.42Å; K594-G597 PolarHBondContact O-N 3.28Å; K594-E598 WeakPolarHBondContact O-CG 3.24Å; K594-E598 PolarHBondContact O-N 2.86Å; K594-L614 HydrophobicContact CG-CB 4.29Å; K594-L614 HydrophobicContact CG-CD2 4.44Å; K594-E619 VanDerWaalsContact CE-OE2 3.26Å; K594-E619 WeakPolarHBondContact CE-OE2 3.47Å; K594-E619 IonicContact NZ-OE2 3.69Å; K594-E619 PolarHBondContact NZ-OE2 2.74Å
595Y83.3Confident83Confident1 Ų159.5 Ų59.50%0.00430%0.299CS..Hα-helixtrans-55.4-43.7173.4-171.4-79.5000112L563 H564 V591 G597 E598 N599 Y603 Y605L563-Y595 HydrophobicContact CB-CD1 4.41Å; L563-Y595 HydrophobicContact CB-CD2 3.62Å; L563-Y595 HydrophobicContact CB-CE1 4.41Å; L563-Y595 HydrophobicContact CB-CE2 3.57Å; L563-Y595 HydrophobicContact CB-CG 4.05Å; L563-Y595 HydrophobicContact CD1-CD2 4.24Å; L563-Y595 HydrophobicContact CD1-CG 4.04Å; L563-Y595 PolarHBondContact O-OH 3.16Å; H564-Y595 AromaticContact ND1-CE2 3.68Å; V591-Y595 PolarHBondContact O-N 3.47Å; Y595-G597 PolarHBondContact O-N 3.25Å; Y595-E598 CarbonylContact O-C 3.58Å; Y595-E598 WeakPolarHBondContact O-CA 3.29Å; Y595-E598 WeakPolarHBondContact O-CB 3.29Å; Y595-E598 PolarHBondContact O-N 3.32Å; Y595-N599 HydrophobicContact CD1-CB 4.35Å; Y595-N599 HydrophobicContact CE1-CB 3.87Å; Y595-N599 PolarHBondContact O-N 3.37Å; Y595-Y603 AromaticContact CE1-CD2 3.99Å; Y595-Y603 HydrophobicContact CE1-CD2 3.99Å; Y595-Y603 AromaticContact CE1-CE2 3.65Å; Y595-Y603 HydrophobicContact CE1-CE2 3.65Å; Y595-Y605 WeakPolarHBondContact CD1-OH 3.49Å; Y595-Y605 WeakPolarHBondContact CE1-OH 3.48Å
596M82.8Confident82.3Confident15 Ų1560.8 Ų60.87%0.07432%0.316CS..Hα-helixtrans-63-24172.3-179.2179.47000114.1F592 K594 P600 Y605 V610 P611 P613F592-M596 VanDerWaalsContact O-CB 3.31Å; F592-M596 WeakPolarHBondContact O-CB 3.43Å; F592-M596 PolarHBondContact O-N 3.04Å; K594-M596 VanDerWaalsContact C-N 3.3Å; K594-M596 PolarHBondContact O-N 2.95Å; M596-P600 WeakPolarHBondContact O-CA 3.44Å; M596-Y605 HydrophobicContact CB-CD1 3.8Å; M596-Y605 HydrophobicContact CB-CD2 4.41Å; M596-Y605 HydrophobicContact CB-CE1 3.66Å; M596-Y605 HydrophobicContact CB-CE2 4.29Å; M596-Y605 HydrophobicContact CB-CG 4.17Å; M596-Y605 HydrophobicContact CG-CD1 3.7Å; M596-Y605 HydrophobicContact CG-CD2 3.66Å; M596-Y605 HydrophobicContact CG-CE1 3.96Å; M596-Y605 HydrophobicContact CG-CE2 3.92Å; M596-Y605 HydrophobicContact CG-CG 3.53Å; M596-Y605 WeakPolarHBondContact SD-CB 3.47Å; M596-Y605 HydrophobicContact SD-CD1 3.84Å; M596-Y605 HydrophobicContact SD-CD2 4.2Å; M596-Y605 HydrophobicContact SD-CG 3.58Å; M596-Y605 VanDerWaalsContact SD-CG 3.58Å; M596-V610 HydrophobicContact CE-CG1 3.7Å; M596-V610 HydrophobicContact SD-CB 4.1Å; M596-V610 HydrophobicContact SD-CG1 3.78Å; M596-P611 WeakPolarHBondContact CE-O 3.47Å; M596-P613 HydrophobicContact CE-CB 4.13Å
597G78.6Confident81.7Confident35 Ų3560.2 Ų60.236%0.36131%0.313SS..Hα-helixtrans-86.7-16.7171.600000113.7K594 Y595K594-G597 CarbonylContact O-C 3.56Å; K594-G597 VanDerWaalsContact O-CA 3.32Å; K594-G597 WeakPolarHBondContact O-CA 3.42Å; K594-G597 PolarHBondContact O-N 3.28Å; Y595-G597 PolarHBondContact O-N 3.25Å
598E79.2Confident81.3Confident87 Ų8755.1 Ų55.141%0.40729%0.286SS..Hα-helixtrans-91.1-27.8174.4-66.2163.5-149.900111.2R560 H564 K594 Y595R560-E598 IonicContact CZ-OE1 2.8Å; R560-E598 IonicContact CZ-OE2 3.66Å; R560-E598 VanDerWaalsContact CZ-OE2 3.23Å; R560-E598 VanDerWaalsContact NH1-CD 3.32Å; R560-E598 IonicContact NH1-OE1 3.72Å; R560-E598 PolarHBondContact NH1-OE1 3.28Å; R560-E598 IonicContact NH1-OE2 2.76Å; R560-E598 PolarHBondContact NH1-OE2 3.3Å; R560-E598 IonicContact NH2-OE1 3.31Å; R560-E598 IonicContact NH2-OE2 3.59Å; R560-E598 PolarHBondContact NH2-OE2 3.44Å; H564-E598 IonicContact CE1-OE2 2.72Å; H564-E598 IonicContact NE2-OE2 3.9Å; K594-E598 WeakPolarHBondContact O-CG 3.24Å; K594-E598 PolarHBondContact O-N 2.86Å; Y595-E598 CarbonylContact O-C 3.58Å; Y595-E598 WeakPolarHBondContact O-CA 3.29Å; Y595-E598 WeakPolarHBondContact O-CB 3.29Å; Y595-E598 PolarHBondContact O-N 3.32Å
599N80.7Confident80.9Confident37 Ų3759.6 Ų59.620%0.19831%0.306CS..SBendtrans-139.874.2-176.6-67.3-109.4000110.8Y595 D601 K602 Y605Y595-N599 HydrophobicContact CD1-CB 4.35Å; Y595-N599 HydrophobicContact CE1-CB 3.87Å; Y595-N599 PolarHBondContact O-N 3.37Å; N599-D601 PolarHBondContact O-N 3.07Å; N599-K602 HydrophobicContact CB-CB 3.97Å; N599-K602 HydrophobicContact CB-CD 4.24Å; N599-K602 WeakPolarHBondContact OD1-CD 3.2Å; N599-Y605 WeakPolarHBondContact O-CE2 3.22Å; N599-Y605 PolarHBondContact O-OH 3.16Å
600P76.8Confident80.3Confident78 Ų7856.2 Ų56.251%0.50630%0.295SS..THydrogen-bonded Turntrans-62.3-36.4-170.8-25.236.3000115.4M596 Y605M596-P600 WeakPolarHBondContact O-CA 3.44Å; P600-Y605 WeakPolarHBondContact O-CD2 3.38Å; P600-Y605 VanDerWaalsContact O-CE2 3.23Å; P600-Y605 WeakPolarHBondContact O-CE2 3.43Å
601D76.7Confident79.6Confident158 Ų15858.5 Ų58.585%0.84531%0.311SS*.THydrogen-bonded Turntrans-1041-168.1-50.2-68.8000113.9N599N599-D601 PolarHBondContact O-N 3.07Å
602K77Confident78.8Confident113 Ų11359.8 Ų59.849%0.49133%0.328SS..SBendtrans-79.2-21.4-168.9-168.9163.9-178166.30115.3N599N599-K602 HydrophobicContact CB-CB 3.97Å; N599-K602 HydrophobicContact CB-CD 4.24Å; N599-K602 WeakPolarHBondContact OD1-CD 3.2Å
603Y80.4Confident77.8Confident41 Ų4162.5 Ų62.516%0.16135%0.347CS..SBendtrans-147.3158.9-179.9-60.2-73.7000111.2L563 G566 D568 P569 Y595 Y605L563-Y603 PolarHBondContact O-OH 2.92Å; G566-Y603 VanDerWaalsContact CA-OH 3.31Å; G566-Y603 WeakPolarHBondContact CA-OH 3.27Å; D568-Y603 HydrophobicContact CB-CD1 4.15Å; D568-Y603 HydrophobicContact CB-CE1 4.1Å; P569-Y603 HydrophobicContact CG-CD2 4.04Å; P569-Y603 HydrophobicContact CG-CG 4.05Å; Y595-Y603 AromaticContact CE1-CD2 3.99Å; Y595-Y603 HydrophobicContact CE1-CD2 3.99Å; Y595-Y603 AromaticContact CE1-CE2 3.65Å; Y595-Y603 HydrophobicContact CE1-CE2 3.65Å; Y603-Y605 VanDerWaalsContact C-N 3.27Å; Y603-Y605 HydrophobicContact CD2-CE1 4.34Å; Y603-Y605 WeakPolarHBondContact O-CD2 3.05Å; Y603-Y605 WeakPolarHBondContact O-CE2 3.31Å; Y603-Y605 PolarHBondContact O-N 3.31Å
604D79.2Confident76.8Confident85 Ų8561.3 Ų61.346%0.45534%0.343SS..  trans-7272.5174.1-86.3-65.6000112.3A570 S606 K607 A608A570-D604 HydrophobicContact CB-CB 4.34Å; D604-S606 PolarHBondContact O-N 3.17Å; D604-S606 VanDerWaalsContact O-N 3.09Å; D604-K607 HydrophobicContact CB-CB 3.92Å; D604-K607 HydrophobicContact CB-CD 3.6Å; D604-K607 HydrophobicContact CB-CG 3.81Å; D604-K607 VanDerWaalsContact CG-CE 3.43Å; D604-K607 VanDerWaalsContact CG-NZ 3.29Å; D604-K607 WeakPolarHBondContact O-CA 3.3Å; D604-K607 WeakPolarHBondContact O-CB 3.44Å; D604-K607 PolarHBondContact O-N 3.26Å; D604-K607 WeakPolarHBondContact OD1-CE 3.46Å; D604-K607 IonicContact OD1-NZ 2.59Å; D604-K607 VanDerWaalsContact OD2-CE 3.3Å; D604-K607 WeakPolarHBondContact OD2-CE 3.49Å; D604-K607 IonicContact OD2-NZ 2.82Å; D604-K607 PolarHBondContact OD2-NZ 3.3Å; D604-A608 PolarHBondContact O-N 2.76Å
605Y79.2Confident76Confident19 Ų1960.3 Ų60.38%0.07534%0.343CS..THydrogen-bonded Turntrans-60.1-26-176.4-63.7-72.2000114.3P569 Y595 M596 N599 P600 Y603 A608 Q609 V610P569-Y605 HydrophobicContact CG-CD1 4.38Å; P569-Y605 HydrophobicContact CG-CE1 4.12Å; Y595-Y605 WeakPolarHBondContact CD1-OH 3.49Å; Y595-Y605 WeakPolarHBondContact CE1-OH 3.48Å; M596-Y605 HydrophobicContact CB-CD1 3.8Å; M596-Y605 HydrophobicContact CB-CD2 4.41Å; M596-Y605 HydrophobicContact CB-CE1 3.66Å; M596-Y605 HydrophobicContact CB-CE2 4.29Å; M596-Y605 HydrophobicContact CB-CG 4.17Å; M596-Y605 HydrophobicContact CG-CD1 3.7Å; M596-Y605 HydrophobicContact CG-CD2 3.66Å; M596-Y605 HydrophobicContact CG-CE1 3.96Å; M596-Y605 HydrophobicContact CG-CE2 3.92Å; M596-Y605 HydrophobicContact CG-CG 3.53Å; M596-Y605 WeakPolarHBondContact SD-CB 3.47Å; M596-Y605 HydrophobicContact SD-CD1 3.84Å; M596-Y605 HydrophobicContact SD-CD2 4.2Å; M596-Y605 HydrophobicContact SD-CG 3.58Å; M596-Y605 VanDerWaalsContact SD-CG 3.58Å; N599-Y605 WeakPolarHBondContact O-CE2 3.22Å; N599-Y605 PolarHBondContact O-OH 3.16Å; P600-Y605 WeakPolarHBondContact O-CD2 3.38Å; P600-Y605 VanDerWaalsContact O-CE2 3.23Å; P600-Y605 WeakPolarHBondContact O-CE2 3.43Å; Y603-Y605 VanDerWaalsContact C-N 3.27Å; Y603-Y605 HydrophobicContact CD2-CE1 4.34Å; Y603-Y605 WeakPolarHBondContact O-CD2 3.05Å; Y603-Y605 WeakPolarHBondContact O-CE2 3.31Å; Y603-Y605 PolarHBondContact O-N 3.31Å; Y605-A608 PolarHBondContact O-N 3.16Å; Y605-Q609 PolarHBondContact O-N 3.43Å; Y605-V610 PolarHBondContact O-N 2.87Å
606S72.3Confident75.1Confident118 Ų11864 Ų6483%0.82537%0.374SS*.THydrogen-bonded Turntrans-63.6-39170.2-56.40000112.6D604 Q609D604-S606 PolarHBondContact O-N 3.17Å; D604-S606 VanDerWaalsContact O-N 3.09Å; S606-Q609 PolarHBondContact O-N 3.14Å
607K76Confident74.4Confident126 Ų12668.6 Ų68.655%0.54840%0.395SS..THydrogen-bonded Turntrans-73.5-35.2174.1-61177.5-165.3162.60110.9A570 D604 Q609A570-K607 HydrophobicContact CB-CB 3.92Å; D604-K607 HydrophobicContact CB-CB 3.92Å; D604-K607 HydrophobicContact CB-CD 3.6Å; D604-K607 HydrophobicContact CB-CG 3.81Å; D604-K607 VanDerWaalsContact CG-CE 3.43Å; D604-K607 VanDerWaalsContact CG-NZ 3.29Å; D604-K607 WeakPolarHBondContact O-CA 3.3Å; D604-K607 WeakPolarHBondContact O-CB 3.44Å; D604-K607 PolarHBondContact O-N 3.26Å; D604-K607 WeakPolarHBondContact OD1-CE 3.46Å; D604-K607 IonicContact OD1-NZ 2.59Å; D604-K607 VanDerWaalsContact OD2-CE 3.3Å; D604-K607 WeakPolarHBondContact OD2-CE 3.49Å; D604-K607 IonicContact OD2-NZ 2.82Å; D604-K607 PolarHBondContact OD2-NZ 3.3Å; K607-Q609 PolarHBondContact O-N 3.13Å
608A76.2Confident74.1Confident0 Ų069.9 Ų69.90%039%0.393CS..THydrogen-bonded Turntrans-66.1-11.7174.300000114.9P569 A570 T578 D604 Y605 V610P569-A608 HydrophobicContact CB-CB 4.07Å; P569-A608 HydrophobicContact CG-CB 4.36Å; P569-A608 VanDerWaalsContact O-CB 3.24Å; P569-A608 WeakPolarHBondContact O-CB 3.42Å; A570-A608 HydrophobicContact CB-CB 4.23Å; T578-A608 WeakPolarHBondContact CB-O 3.29Å; T578-A608 PolarHBondContact OG1-O 2.52Å; D604-A608 PolarHBondContact O-N 2.76Å; Y605-A608 PolarHBondContact O-N 3.16Å; A608-V610 HydrophobicContact CB-CG2 3.82Å; A608-V610 PolarHBondContact O-N 2.63Å
609Q77.8Confident73.7Confident98 Ų9869 Ų6946%0.45839%0.389SS..THydrogen-bonded Turntrans60.726.7-176.8-51.1-174.61200114.3T578 Y580 T581 Y605 S606 K607 P611T578-Q609 HydrophobicContact CG2-CG 4.39Å; Y580-Q609 WeakPolarHBondContact CD1-O 3.32Å; T581-Q609 HydrophobicContact CG2-CB 4.44Å; Y605-Q609 PolarHBondContact O-N 3.43Å; S606-Q609 PolarHBondContact O-N 3.14Å; K607-Q609 PolarHBondContact O-N 3.13Å; Q609-P611 VanDerWaalsContact O-CD 3.29Å; Q609-P611 WeakPolarHBondContact O-CD 3.37Å
610V77.4Confident73.4Confident13 Ų1370 Ų708%0.07940%0.399CS..  trans-82.9114.4-178.9-179.50000109.6Y580 F592 R593 M596 Y605 A608Y580-V610 HydrophobicContact CD2-CG1 4.38Å; Y580-V610 HydrophobicContact CD2-CG2 4.03Å; Y580-V610 HydrophobicContact CG-CG2 4Å; F592-V610 HydrophobicContact CB-CG1 4.24Å; F592-V610 HydrophobicContact CB-CG2 4.17Å; R593-V610 HydrophobicContact CB-CG1 4.42Å; R593-V610 HydrophobicContact CG-CG1 3.51Å; M596-V610 HydrophobicContact CE-CG1 3.7Å; M596-V610 HydrophobicContact SD-CB 4.1Å; M596-V610 HydrophobicContact SD-CG1 3.78Å; Y605-V610 PolarHBondContact O-N 2.87Å; A608-V610 HydrophobicContact CB-CG2 3.82Å; A608-V610 PolarHBondContact O-N 2.63Å
611P72.9Confident73.5Confident65 Ų6572 Ų7242%0.42240%0.399SS..  trans-67.4141.8179.3-19.733.6000111.3Y580 R593 M596 Q609Y580-P611 VanDerWaalsContact CE1-CD 3.45Å; Y580-P611 HydrophobicContact CE1-CG 4.13Å; Y580-P611 VanDerWaalsContact OH-CD 3.27Å; Y580-P611 WeakPolarHBondContact OH-CD 3.39Å; R593-P611 WeakPolarHBondContact CD-O 3.43Å; R593-P611 WeakPolarHBondContact CG-O 3.26Å; R593-P611 PolarHBondContact NE-O 2.94Å; M596-P611 WeakPolarHBondContact CE-O 3.47Å; Q609-P611 VanDerWaalsContact O-CD 3.29Å; Q609-P611 WeakPolarHBondContact O-CD 3.37Å
612G69.5Low73.6Confident48 Ų4870 Ų7050%0.49538%0.383SS..SBendtrans-40.6157.1-167.200000118.1R593R593-G612 PolarHBondContact NE-O 3Å; R593-G612 PolarHBondContact NH2-O 3.02Å
613P67.7Low73.8Confident62 Ų6269.1 Ų69.140%0.40339%0.387SS..  trans-60.1152.9-150.819.7-32.5000115.9M596 T615M596-P613 HydrophobicContact CE-CB 4.13Å; P613-T615 HydrophobicContact CB-CG2 4.49Å
614L64.6Low74Confident13 Ų1373 Ų737%0.06841%0.407CS..  trans-107.664.6178-170.460.8000110.7N590 R593 K594 E619N590-L614 HydrophobicContact CB-CD2 3.69Å; R593-L614 HydrophobicContact CB-CB 3.89Å; R593-L614 PolarHBondContact O-N 3.03Å; K594-L614 HydrophobicContact CG-CB 4.29Å; K594-L614 HydrophobicContact CG-CD2 4.44Å; L614-E619 HydrophobicContact CD1-CG 3.71Å; L614-E619 HydrophobicContact CG-CG 4.01Å
615T67.6Low74.3Confident54 Ų5477 Ų7733%0.33142%0.42SS..  trans-63149.2175.267.40000111.1P613 E617 I618 E619P613-T615 HydrophobicContact CB-CG2 4.49Å; T615-E617 PolarHBondContact O-N 3.22Å; T615-I618 WeakPolarHBondContact O-CB 3.32Å; T615-I618 PolarHBondContact O-N 3.01Å; T615-I618 WeakPolarHBondContact OG1-CD1 3.4Å; T615-I618 WeakPolarHBondContact OG1-CG1 3.18Å; T615-E619 PolarHBondContact O-N 3.25Å
616A65.4Low74.6Confident78 Ų7882 Ų8265%0.64544%0.442SS*.Hα-helixtrans-58.6-35.1-178.300000112.5I618 E619 S620A616-I618 VanDerWaalsContact C-N 3.33Å; A616-I618 PolarHBondContact O-N 3.07Å; A616-E619 WeakPolarHBondContact O-CB 3.26Å; A616-E619 PolarHBondContact O-N 3.32Å; A616-E619 VanDerWaalsContact O-N 3.12Å; A616-S620 PolarHBondContact O-N 3.47Å
617E66.8Low75.5Confident113 Ų11384 Ų8453%0.52844%0.436SS..Hα-helixtrans-59.7-39.9173.5-67.5-172.6-143.600113.7T615 E619 S620 K621T615-E617 PolarHBondContact O-N 3.22Å; E617-E619 PolarHBondContact O-N 2.86Å; E617-S620 WeakPolarHBondContact CA-OG 3.49Å; E617-S620 PolarHBondContact O-N 2.91Å; E617-S620 PolarHBondContact O-OG 3.11Å; E617-K621 HydrophobicContact CB-CD 4.42Å; E617-K621 VanDerWaalsContact O-CB 3.25Å; E617-K621 WeakPolarHBondContact O-CB 3.43Å; E617-K621 WeakPolarHBondContact O-CD 3.42Å; E617-K621 VanDerWaalsContact O-CG 3.23Å; E617-K621 WeakPolarHBondContact O-CG 3.29Å; E617-K621 PolarHBondContact O-N 3.31Å; E617-K621 IonicContact OE2-NZ 3.93Å; E617-K621 PolarHBondContact OE2-NZ 3.01Å
618I72.1Confident76Confident62 Ų6281 Ų8132%0.31844%0.435SS..Hα-helixtrans-68.9-28.5178.9-71.6172.4000109.7T615 A616 K622T615-I618 WeakPolarHBondContact O-CB 3.32Å; T615-I618 PolarHBondContact O-N 3.01Å; T615-I618 WeakPolarHBondContact OG1-CD1 3.4Å; T615-I618 WeakPolarHBondContact OG1-CG1 3.18Å; A616-I618 VanDerWaalsContact C-N 3.33Å; A616-I618 PolarHBondContact O-N 3.07Å; I618-K622 HydrophobicContact CG2-CD 4.05Å; I618-K622 VanDerWaalsContact O-CB 3.29Å; I618-K622 WeakPolarHBondContact O-CB 3.4Å; I618-K622 WeakPolarHBondContact O-CD 3.37Å; I618-K622 WeakPolarHBondContact O-CG 3.31Å; I618-K622 PolarHBondContact O-N 3.05Å
619E71.6Confident76.6Confident68 Ų6887.4 Ų87.432%0.31847%0.465SS..Hα-helixtrans-73.5-47.4171.5-54.4-149.4103.400111.8K594 L614 T615 A616 E617 K622 V623K594-E619 VanDerWaalsContact CE-OE2 3.26Å; K594-E619 WeakPolarHBondContact CE-OE2 3.47Å; K594-E619 IonicContact NZ-OE2 3.69Å; K594-E619 PolarHBondContact NZ-OE2 2.74Å; L614-E619 HydrophobicContact CD1-CG 3.71Å; L614-E619 HydrophobicContact CG-CG 4.01Å; T615-E619 PolarHBondContact O-N 3.25Å; A616-E619 WeakPolarHBondContact O-CB 3.26Å; A616-E619 PolarHBondContact O-N 3.32Å; A616-E619 VanDerWaalsContact O-N 3.12Å; E617-E619 PolarHBondContact O-N 2.86Å; E619-K622 PolarHBondContact O-N 3.07Å; E619-V623 WeakPolarHBondContact O-CG2 3.45Å; E619-V623 PolarHBondContact O-N 2.95Å
620S73.8Confident77.1Confident58 Ų5891.5 Ų91.541%0.40648%0.476SS..Hα-helixtrans-62.1-52.3179.564.90000112A616 E617 K622 V623 E624A616-S620 PolarHBondContact O-N 3.47Å; E617-S620 WeakPolarHBondContact CA-OG 3.49Å; E617-S620 PolarHBondContact O-N 2.91Å; E617-S620 PolarHBondContact O-OG 3.11Å; S620-K622 PolarHBondContact O-N 3.29Å; S620-K622 VanDerWaalsContact O-N 3.14Å; S620-V623 WeakPolarHBondContact O-CA 3.43Å; S620-V623 WeakPolarHBondContact O-CB 3.46Å; S620-V623 PolarHBondContact O-N 3.29Å; S620-E624 WeakPolarHBondContact O-CG 3.49Å; S620-E624 PolarHBondContact O-N 2.83Å
621K78.7Confident77.8Confident119 Ų11993.5 Ų93.552%0.51749%0.494SS..Hα-helixtrans-56.1-34177.1-68.3164.6179.2169.10111.7E617 K625E617-K621 HydrophobicContact CB-CD 4.42Å; E617-K621 VanDerWaalsContact O-CB 3.25Å; E617-K621 WeakPolarHBondContact O-CB 3.43Å; E617-K621 WeakPolarHBondContact O-CD 3.42Å; E617-K621 VanDerWaalsContact O-CG 3.23Å; E617-K621 WeakPolarHBondContact O-CG 3.29Å; E617-K621 PolarHBondContact O-N 3.31Å; E617-K621 IonicContact OE2-NZ 3.93Å; E617-K621 PolarHBondContact OE2-NZ 3.01Å; K621-K625 WeakPolarHBondContact O-CB 3.44Å; K621-K625 PolarHBondContact O-N 3.35Å; K621-K625 VanDerWaalsContact O-N 3.09Å
622K79.1Confident78.7Confident116 Ų11695.8 Ų95.850%0.50450%0.499SS..Hα-helixtrans-76.6-28.8174.4-75.3172.6-172.9164.80113.9I618 E619 S620 K626I618-K622 HydrophobicContact CG2-CD 4.05Å; I618-K622 VanDerWaalsContact O-CB 3.29Å; I618-K622 WeakPolarHBondContact O-CB 3.4Å; I618-K622 WeakPolarHBondContact O-CD 3.37Å; I618-K622 WeakPolarHBondContact O-CG 3.31Å; I618-K622 PolarHBondContact O-N 3.05Å; E619-K622 PolarHBondContact O-N 3.07Å; S620-K622 PolarHBondContact O-N 3.29Å; S620-K622 VanDerWaalsContact O-N 3.14Å; K622-K626 WeakPolarHBondContact O-CD 3.47Å; K622-K626 VanDerWaalsContact O-CG 3.26Å; K622-K626 WeakPolarHBondContact O-CG 3.33Å; K622-K626 PolarHBondContact O-N 3.37Å
623V81.1Confident79.6Confident96 Ų96101.8 Ų101.858%0.58251%0.507SS*.Hα-helixtrans-74-43.3172.8168.80000110.5E619 S620 K626 K627E619-V623 WeakPolarHBondContact O-CG2 3.45Å; E619-V623 PolarHBondContact O-N 2.95Å; S620-V623 WeakPolarHBondContact O-CA 3.43Å; S620-V623 WeakPolarHBondContact O-CB 3.46Å; S620-V623 PolarHBondContact O-N 3.29Å; V623-K626 WeakPolarHBondContact O-CB 3.38Å; V623-K626 PolarHBondContact O-N 3.45Å; V623-K627 PolarHBondContact O-N 3.15Å
624E86.3Confident80.8Confident123 Ų123107.8 Ų107.858%0.57552%0.522SS*.Hα-helixtrans-65.4-47.3178.8-68.7-175.1141.500112.3S620 K626 K627 A628S620-E624 WeakPolarHBondContact O-CG 3.49Å; S620-E624 PolarHBondContact O-N 2.83Å; E624-K626 PolarHBondContact O-N 3.18Å; E624-K627 CarbonylContact O-C 3.57Å; E624-K627 WeakPolarHBondContact O-CA 3.49Å; E624-K627 WeakPolarHBondContact O-CB 3.31Å; E624-K627 PolarHBondContact O-N 3.48Å; E624-A628 PolarHBondContact O-N 2.92Å
625K85.5Confident82Confident167 Ų167112.7 Ų112.773%0.72654%0.544SS*.Hα-helixtrans-56.1-36.5174.4-170.5165.2-175.7167.50112.1K621 Q629K621-K625 WeakPolarHBondContact O-CB 3.44Å; K621-K625 PolarHBondContact O-N 3.35Å; K621-K625 VanDerWaalsContact O-N 3.09Å; K625-Q629 VanDerWaalsContact O-CB 3.29Å; K625-Q629 WeakPolarHBondContact O-CB 3.35Å; K625-Q629 PolarHBondContact O-N 2.92Å
626K84.1Confident83.2Confident125 Ų125117.2 Ų117.254%0.54356%0.555SS.*Hα-helixtrans-72.5-34.1173.5-72.3171.1-174.7171.50113.3K622 V623 E624 R630K622-K626 WeakPolarHBondContact O-CD 3.47Å; K622-K626 VanDerWaalsContact O-CG 3.26Å; K622-K626 WeakPolarHBondContact O-CG 3.33Å; K622-K626 PolarHBondContact O-N 3.37Å; V623-K626 WeakPolarHBondContact O-CB 3.38Å; V623-K626 PolarHBondContact O-N 3.45Å; E624-K626 PolarHBondContact O-N 3.18Å; K626-R630 WeakPolarHBondContact O-CB 3.5Å; K626-R630 WeakPolarHBondContact O-CD 3.45Å; K626-R630 WeakPolarHBondContact O-CG 3.26Å; K626-R630 PolarHBondContact O-N 3.38Å; K626-R630 VanDerWaalsContact O-N 3.15Å
627K91.2Very high84.4Confident161 Ų161115.6 Ų115.670%0.753%0.534SS*.Hα-helixtrans-67.2-47.3175.3-172.5-177175.8-170.70110.4V623 E624 R630 A631V623-K627 PolarHBondContact O-N 3.15Å; E624-K627 CarbonylContact O-C 3.57Å; E624-K627 WeakPolarHBondContact O-CA 3.49Å; E624-K627 WeakPolarHBondContact O-CB 3.31Å; E624-K627 PolarHBondContact O-N 3.48Å; K627-R630 PolarHBondContact O-N 2.88Å; K627-A631 PolarHBondContact O-N 3.45Å
628A87.9Confident85.8Confident62 Ų62117.6 Ų117.651%0.51254%0.541SS..Hα-helixtrans-60.9-50.5175.500000112.2E624 R630 A631 Q632E624-A628 PolarHBondContact O-N 2.92Å; A628-R630 VanDerWaalsContact C-N 3.27Å; A628-R630 PolarHBondContact O-N 3.07Å; A628-A631 WeakPolarHBondContact O-CB 3.48Å; A628-A631 PolarHBondContact O-N 2.97Å; A628-Q632 PolarHBondContact O-N 3.24Å
629Q87.5Confident86.8Confident135 Ų135119.1 Ų119.163%0.63155%0.547SS*.Hα-helixtrans-58.5-37.2177.5-170.2-176.740.300112.6K625 R633K625-Q629 VanDerWaalsContact O-CB 3.29Å; K625-Q629 WeakPolarHBondContact O-CB 3.35Å; K625-Q629 PolarHBondContact O-N 2.92Å; Q629-R633 WeakPolarHBondContact O-CB 3.39Å; Q629-R633 PolarHBondContact O-N 3.17Å
630R88.1Confident87.8Confident183 Ų183118.8 Ų118.869%0.69155%0.545SS*.Hα-helixtrans-69.9-33.2174.4-75.6171.2175.1-171.8-2.3113.1K626 K627 A628 R634K626-R630 WeakPolarHBondContact O-CB 3.5Å; K626-R630 WeakPolarHBondContact O-CD 3.45Å; K626-R630 WeakPolarHBondContact O-CG 3.26Å; K626-R630 PolarHBondContact O-N 3.38Å; K626-R630 VanDerWaalsContact O-N 3.15Å; K627-R630 PolarHBondContact O-N 2.88Å; A628-R630 VanDerWaalsContact C-N 3.27Å; A628-R630 PolarHBondContact O-N 3.07Å; R630-R634 WeakPolarHBondContact O-CB 3.43Å; R630-R634 WeakPolarHBondContact O-CD 3.42Å; R630-R634 VanDerWaalsContact O-CG 3.27Å; R630-R634 WeakPolarHBondContact O-CG 3.44Å; R630-R634 PolarHBondContact O-N 3.16Å
631A92.2Very high88.7Confident56 Ų56121 Ų12146%0.46355%0.548SS..Hα-helixtrans-69.5-50.3173.800000111K627 A628 R633 R634 Q635K627-A631 PolarHBondContact O-N 3.45Å; A628-A631 WeakPolarHBondContact O-CB 3.48Å; A628-A631 PolarHBondContact O-N 2.97Å; A631-R633 PolarHBondContact O-N 3.33Å; A631-R634 WeakPolarHBondContact O-CB 3.31Å; A631-R634 PolarHBondContact O-N 3.01Å; A631-Q635 PolarHBondContact O-N 2.92Å
632Q91.6Very high89.6Confident113 Ų113122.3 Ų122.353%0.52856%0.556SS.*Hα-helixtrans-59-42.6178.9-168-175.440.700112.3A628 R634 Q635 R636A628-Q632 PolarHBondContact O-N 3.24Å; Q632-R634 PolarHBondContact O-N 3.16Å; Q632-Q635 PolarHBondContact O-N 2.95Å; Q632-R636 PolarHBondContact O-N 3.25Å; Q632-R636 VanDerWaalsContact O-N 3.08Å
633R88.6Confident90.3Very high174 Ų174122.1 Ų122.166%0.65756%0.556SS**Hα-helixtrans-60.5-44.9173177.3177164.1155.23.4111.9Q629 A631 Q635 R636 E637Q629-R633 WeakPolarHBondContact O-CB 3.39Å; Q629-R633 PolarHBondContact O-N 3.17Å; A631-R633 PolarHBondContact O-N 3.33Å; R633-Q635 PolarHBondContact O-N 2.85Å; R633-R636 PolarHBondContact O-N 3.12Å; R633-E637 HydrophobicContact CG-CG 4.49Å; R633-E637 IonicContact CZ-OE2 3.77Å; R633-E637 IonicContact NE-OE2 2.81Å; R633-E637 PolarHBondContact NE-OE2 2.9Å; R633-E637 VanDerWaalsContact NE-OE2 3.11Å; R633-E637 IonicContact NH2-OE2 2.67Å; R633-E637 PolarHBondContact NH2-OE2 3.42Å; R633-E637 WeakPolarHBondContact O-CB 3.3Å; R633-E637 WeakPolarHBondContact O-CG 3.14Å; R633-E637 PolarHBondContact O-N 3.35Å
634R92.3Very high90.8Very high188 Ų188120.3 Ų120.371%0.70954%0.541SS*.Hα-helixtrans-63.7-28.1178.1-79.3173169.6-171.2-3.7113.1R630 A631 Q632 K638R630-R634 WeakPolarHBondContact O-CB 3.43Å; R630-R634 WeakPolarHBondContact O-CD 3.42Å; R630-R634 VanDerWaalsContact O-CG 3.27Å; R630-R634 WeakPolarHBondContact O-CG 3.44Å; R630-R634 PolarHBondContact O-N 3.16Å; A631-R634 WeakPolarHBondContact O-CB 3.31Å; A631-R634 PolarHBondContact O-N 3.01Å; Q632-R634 PolarHBondContact O-N 3.16Å; R634-K638 PolarHBondContact O-N 3.49Å
635Q91Very high91.2Very high115 Ų115122.7 Ų122.754%0.53754%0.544SS..Hα-helixtrans-74.2-50.8176174.4161.2-7.200111.3A631 Q632 R633 E637 K638 E639A631-Q635 PolarHBondContact O-N 2.92Å; Q632-Q635 PolarHBondContact O-N 2.95Å; R633-Q635 PolarHBondContact O-N 2.85Å; Q635-E637 PolarHBondContact O-N 2.82Å; Q635-E637 VanDerWaalsContact O-N 3.17Å; Q635-K638 WeakPolarHBondContact O-CA 3.4Å; Q635-K638 WeakPolarHBondContact O-CB 3.42Å; Q635-K638 PolarHBondContact O-N 3.24Å; Q635-E639 WeakPolarHBondContact CG-OE1 3.22Å; Q635-E639 PolarHBondContact NE2-OE1 3.14Å; Q635-E639 PolarHBondContact O-N 3.2Å
636R92.3Very high91.7Very high150 Ų150121.8 Ų121.857%0.56654%0.541SS*.Hα-helixtrans-55.5-34.4171.5-67.1-178.5178.8-176.9-1.4112.6Q632 R633 E639 Q640Q632-R636 PolarHBondContact O-N 3.25Å; Q632-R636 VanDerWaalsContact O-N 3.08Å; R633-R636 PolarHBondContact O-N 3.12Å; R636-E639 VanDerWaalsContact CA-OE2 3.28Å; R636-E639 WeakPolarHBondContact CA-OE2 3.4Å; R636-E639 PolarHBondContact N-OE2 3.4Å; R636-Q640 WeakPolarHBondContact O-CB 3.13Å; R636-Q640 WeakPolarHBondContact O-CG 3.29Å; R636-Q640 PolarHBondContact O-N 2.96Å
637E91.7Very high92.1Very high44 Ų44120.6 Ų120.621%0.20654%0.537CS..Hα-helixtrans-71-22.1173-82.1-152.965.200115.1R401 R633 Q635 K641R401-E637 IonicContact CZ-OE1 3.69Å; R401-E637 IonicContact NE-OE1 3.76Å; R401-E637 PolarHBondContact NE-OE1 3.24Å; R401-E637 VanDerWaalsContact NE-OE1 3.14Å; R401-E637 PolarHBondContact NH1-O 3.13Å; R401-E637 VanDerWaalsContact NH2-CB 3.3Å; R401-E637 PolarHBondContact NH2-O 3.16Å; R401-E637 IonicContact NH2-OE1 2.99Å; R401-E637 PolarHBondContact NH2-OE1 3.07Å; R633-E637 HydrophobicContact CG-CG 4.49Å; R633-E637 IonicContact CZ-OE2 3.77Å; R633-E637 IonicContact NE-OE2 2.81Å; R633-E637 PolarHBondContact NE-OE2 2.9Å; R633-E637 VanDerWaalsContact NE-OE2 3.11Å; R633-E637 IonicContact NH2-OE2 2.67Å; R633-E637 PolarHBondContact NH2-OE2 3.42Å; R633-E637 WeakPolarHBondContact O-CB 3.3Å; R633-E637 WeakPolarHBondContact O-CG 3.14Å; R633-E637 PolarHBondContact O-N 3.35Å; Q635-E637 PolarHBondContact O-N 2.82Å; Q635-E637 VanDerWaalsContact O-N 3.17Å; E637-K641 WeakPolarHBondContact O-CB 3.34Å
638K95.2Very high92.1Very high155 Ų155117.7 Ų117.767%0.67453%0.526SS*.Hα-helixtrans-76.6-52.8168.6-74.2177.2173.4-1700109.8R634 Q635 Q640 K641 E642R634-K638 PolarHBondContact O-N 3.49Å; Q635-K638 WeakPolarHBondContact O-CA 3.4Å; Q635-K638 WeakPolarHBondContact O-CB 3.42Å; Q635-K638 PolarHBondContact O-N 3.24Å; K638-Q640 PolarHBondContact O-N 3.35Å; K638-K641 PolarHBondContact O-N 3.44Å; K638-E642 PolarHBondContact O-N 3.41Å
639E94.2Very high92.5Very high94 Ų94119 Ų11944%0.43952%0.524SS..Hα-helixtrans-52-55.6-178.9-68.4151.7-179.600111Q635 R636 K641 E642 E643Q635-E639 WeakPolarHBondContact CG-OE1 3.22Å; Q635-E639 PolarHBondContact NE2-OE1 3.14Å; Q635-E639 PolarHBondContact O-N 3.2Å; R636-E639 VanDerWaalsContact CA-OE2 3.28Å; R636-E639 WeakPolarHBondContact CA-OE2 3.4Å; R636-E639 PolarHBondContact N-OE2 3.4Å; E639-K641 PolarHBondContact O-N 2.97Å; E639-K641 VanDerWaalsContact O-N 3.16Å; E639-E642 PolarHBondContact O-N 3.29Å; E639-E643 WeakPolarHBondContact O-CB 3.3Å; E639-E643 PolarHBondContact O-N 2.85Å
640Q90.9Very high92.8Very high60 Ų60116.6 Ų116.628%0.2851%0.513SS..Hα-helixtrans-63.5-20.8176.9-73.1-177.2-26.800115.1R401 R636 K638 K644R401-Q640 HydrophobicContact CG-CB 4.12Å; R636-Q640 WeakPolarHBondContact O-CB 3.13Å; R636-Q640 WeakPolarHBondContact O-CG 3.29Å; R636-Q640 PolarHBondContact O-N 2.96Å; K638-Q640 PolarHBondContact O-N 3.35Å; Q640-K644 PolarHBondContact O-N 3.28Å
641K94.3Very high93Very high105 Ų105109.8 Ų109.846%0.45750%0.495SS..Hα-helixtrans-84.8-35.2177.1-175.6170.1-178.2174.10111E637 K638 E639 R645E637-K641 WeakPolarHBondContact O-CB 3.34Å; K638-K641 PolarHBondContact O-N 3.44Å; E639-K641 PolarHBondContact O-N 2.97Å; E639-K641 VanDerWaalsContact O-N 3.16Å; K641-R645 WeakPolarHBondContact O-CB 3.44Å; K641-R645 PolarHBondContact O-N 3.41Å; K641-R645 VanDerWaalsContact O-N 3.08Å
642E95.9Very high93.1Very high147 Ų147111.3 Ų111.369%0.68749%0.493SS*.Hα-helixtrans-70.9-42175.8-171.3160.2-17100111.2K638 E639 R645 K646K638-E642 PolarHBondContact O-N 3.41Å; E639-E642 PolarHBondContact O-N 3.29Å; E642-R645 PolarHBondContact O-N 2.9Å; E642-K646 PolarHBondContact O-N 2.81Å
643E94.3Very high93.1Very high112 Ų112112.2 Ų112.252%0.52350%0.497SS..Hα-helixtrans-56.9-51.2171.2179.9175.2-146.700112.2E639 R645 K646 Q647E639-E643 WeakPolarHBondContact O-CB 3.3Å; E639-E643 PolarHBondContact O-N 2.85Å; E643-R645 PolarHBondContact O-N 3.1Å; E643-K646 WeakPolarHBondContact O-CA 3.48Å; E643-K646 WeakPolarHBondContact O-CB 3.36Å; E643-K646 PolarHBondContact O-N 2.95Å; E643-K646 VanDerWaalsContact O-N 3.07Å; E643-Q647 WeakPolarHBondContact O-CG 3.36Å; E643-Q647 PolarHBondContact O-N 3.29Å
644K92.4Very high93.2Very high58 Ų58110 Ų11025%0.25249%0.492SS..Hα-helixtrans-63.9-38.2177.9-76.8-163.4171.1-167.80113.1R401 E402 Q640 K646 Q647 E648R401-K644 WeakPolarHBondContact O-CD 3.31Å; E402-K644 HydrophobicContact CG-CD 3.99Å; E402-K644 IonicContact OE1-NZ 2.72Å; E402-K644 PolarHBondContact OE1-NZ 3.4Å; Q640-K644 PolarHBondContact O-N 3.28Å; K644-K646 VanDerWaalsContact C-N 3.25Å; K644-K646 PolarHBondContact O-N 3.36Å; K644-Q647 PolarHBondContact O-N 3.1Å; K644-E648 WeakPolarHBondContact O-CB 3.23Å; K644-E648 VanDerWaalsContact O-CG 3.27Å; K644-E648 WeakPolarHBondContact O-CG 3.44Å; K644-E648 PolarHBondContact O-N 3.37Å
645R94.4Very high93.2Very high172 Ų172108.2 Ų108.265%0.64949%0.49SS*.Hα-helixtrans-60.5-36172.6-172.9-178.4179-137.4-3.1112K641 E642 E643 L649K641-R645 WeakPolarHBondContact O-CB 3.44Å; K641-R645 PolarHBondContact O-N 3.41Å; K641-R645 VanDerWaalsContact O-N 3.08Å; E642-R645 PolarHBondContact O-N 2.9Å; E643-R645 PolarHBondContact O-N 3.1Å; R645-L649 HydrophobicContact CG-CD1 4.39Å; R645-L649 WeakPolarHBondContact O-CD1 3.47Å; R645-L649 VanDerWaalsContact O-CG 3.28Å; R645-L649 WeakPolarHBondContact O-CG 3.23Å; R645-L649 PolarHBondContact O-N 3.34Å; R645-L649 VanDerWaalsContact O-N 3.15Å
646K94.9Very high93.2Very high149 Ų149110.3 Ų110.365%0.64849%0.493SS*.Hα-helixtrans-67.7-45.3174.5-170.1-175.6177.1-172.10111.5E642 E643 K644 E648 L649 E650E642-K646 PolarHBondContact O-N 2.81Å; E643-K646 WeakPolarHBondContact O-CA 3.48Å; E643-K646 WeakPolarHBondContact O-CB 3.36Å; E643-K646 PolarHBondContact O-N 2.95Å; E643-K646 VanDerWaalsContact O-N 3.07Å; K644-K646 VanDerWaalsContact C-N 3.25Å; K644-K646 PolarHBondContact O-N 3.36Å; K646-E648 PolarHBondContact O-N 3.13Å; K646-L649 PolarHBondContact O-N 2.82Å; K646-E650 WeakPolarHBondContact O-CB 3.31Å; K646-E650 PolarHBondContact O-N 2.98Å
647Q92.3Very high93.1Very high100 Ų100108.7 Ų108.747%0.46749%0.49SS..Hα-helixtrans-63.2-38.9176.4-67.6173-0.300112.5E643 K644 A651E643-Q647 WeakPolarHBondContact O-CG 3.36Å; E643-Q647 PolarHBondContact O-N 3.29Å; K644-Q647 PolarHBondContact O-N 3.1Å; Q647-A651 WeakPolarHBondContact O-CB 3.44Å; Q647-A651 PolarHBondContact O-N 3.25Å
648E93.2Very high93Very high100 Ų100109.7 Ų109.747%0.46751%0.505SS..Hα-helixtrans-61.9-46.6174.9-76.2166.317900111.6K644 K646 A651 E652K644-E648 WeakPolarHBondContact O-CB 3.23Å; K644-E648 VanDerWaalsContact O-CG 3.27Å; K644-E648 WeakPolarHBondContact O-CG 3.44Å; K644-E648 PolarHBondContact O-N 3.37Å; K646-E648 PolarHBondContact O-N 3.13Å; E648-A651 PolarHBondContact O-N 3.39Å; E648-E652 PolarHBondContact O-N 2.66Å
649L94.6Very high92.7Very high89 Ų89106.9 Ų106.947%0.46651%0.505SS..Hα-helixtrans-63.5-47.3176.5-72.1167.3000111.8R645 K646 A651 E652 E653R645-L649 HydrophobicContact CG-CD1 4.39Å; R645-L649 WeakPolarHBondContact O-CD1 3.47Å; R645-L649 VanDerWaalsContact O-CG 3.28Å; R645-L649 WeakPolarHBondContact O-CG 3.23Å; R645-L649 PolarHBondContact O-N 3.34Å; R645-L649 VanDerWaalsContact O-N 3.15Å; K646-L649 PolarHBondContact O-N 2.82Å; L649-A651 VanDerWaalsContact C-N 3.29Å; L649-A651 PolarHBondContact O-N 2.93Å; L649-E652 PolarHBondContact O-N 3.24Å; L649-E652 VanDerWaalsContact O-N 3.1Å; L649-E653 WeakPolarHBondContact O-CG 3.44Å; L649-E653 PolarHBondContact O-N 2.87Å
650E94.2Very high92.5Very high85 Ų85104.8 Ų104.840%0.39750%0.497SS..Hα-helixtrans-62.3-36.2177.3-168.5-172146.700111.8K646 K654K646-E650 WeakPolarHBondContact O-CB 3.31Å; K646-E650 PolarHBondContact O-N 2.98Å; E650-K654 HydrophobicContact CG-CD 4.48Å; E650-K654 WeakPolarHBondContact O-CB 3.47Å; E650-K654 VanDerWaalsContact O-CG 3.25Å; E650-K654 WeakPolarHBondContact O-CG 3.38Å; E650-K654 PolarHBondContact O-N 3.18Å; E650-K654 VanDerWaalsContact OE1-CE 3.25Å; E650-K654 WeakPolarHBondContact OE1-CE 3.01Å; E650-K654 IonicContact OE1-NZ 2.77Å; E650-K654 PolarHBondContact OE1-NZ 2.95Å
651A93.1Very high92.7Very high39 Ų39105.8 Ų105.832%0.32251%0.507SS..Hα-helixtrans-70.8-32.117400000112.7Q647 E648 L649 K655Q647-A651 WeakPolarHBondContact O-CB 3.44Å; Q647-A651 PolarHBondContact O-N 3.25Å; E648-A651 PolarHBondContact O-N 3.39Å; L649-A651 VanDerWaalsContact C-N 3.29Å; L649-A651 PolarHBondContact O-N 2.93Å; A651-K655 WeakPolarHBondContact O-CB 3.14Å; A651-K655 WeakPolarHBondContact O-CD 3.14Å; A651-K655 VanDerWaalsContact O-CG 3.23Å; A651-K655 WeakPolarHBondContact O-CG 3.29Å; A651-K655 PolarHBondContact O-N 2.8Å; A651-K655 VanDerWaalsContact O-N 3.09Å
652E94.6Very high92.4Very high89 Ų89105.4 Ų105.442%0.41651%0.51SS..Hα-helixtrans-70.4-43.8172.5-157.4-167134.900111.3E648 L649 K654 K655 R656E648-E652 PolarHBondContact O-N 2.66Å; L649-E652 PolarHBondContact O-N 3.24Å; L649-E652 VanDerWaalsContact O-N 3.1Å; E652-K654 PolarHBondContact O-N 3.44Å; E652-K655 PolarHBondContact O-N 3.23Å; E652-R656 WeakPolarHBondContact O-CG 3.4Å; E652-R656 PolarHBondContact O-N 3.37Å; E652-R656 IonicContact OE1-CZ 2.7Å; E652-R656 IonicContact OE1-NE 2.8Å; E652-R656 PolarHBondContact OE1-NE 2.79Å; E652-R656 IonicContact OE1-NH2 3.23Å; E652-R656 PolarHBondContact OE1-NH2 3.42Å
653E91.9Very high92Very high132 Ų132108.7 Ų108.762%0.61752%0.516SS*.Hα-helixtrans-59.6-44.9174.2-73179.2171.600111.8L649 K655 R656 F657L649-E653 WeakPolarHBondContact O-CG 3.44Å; L649-E653 PolarHBondContact O-N 2.87Å; E653-K655 VanDerWaalsContact C-N 3.34Å; E653-K655 PolarHBondContact O-N 3.37Å; E653-R656 PolarHBondContact O-N 3.14Å; E653-F657 WeakPolarHBondContact O-CB 3.39Å; E653-F657 PolarHBondContact O-N 3.04Å
654K90.6Very high91.8Very high126 Ų126107.6 Ų107.655%0.54851%0.511SS..Hα-helixtrans-60.1-40.5173.8-75.4170-175171.70112.4E650 E652 A658E650-K654 HydrophobicContact CG-CD 4.48Å; E650-K654 WeakPolarHBondContact O-CB 3.47Å; E650-K654 VanDerWaalsContact O-CG 3.25Å; E650-K654 WeakPolarHBondContact O-CG 3.38Å; E650-K654 PolarHBondContact O-N 3.18Å; E650-K654 VanDerWaalsContact OE1-CE 3.25Å; E650-K654 WeakPolarHBondContact OE1-CE 3.01Å; E650-K654 IonicContact OE1-NZ 2.77Å; E650-K654 PolarHBondContact OE1-NZ 2.95Å; E652-K654 PolarHBondContact O-N 3.44Å; K654-A658 VanDerWaalsContact O-CB 3.3Å; K654-A658 WeakPolarHBondContact O-CB 3.09Å; K654-A658 PolarHBondContact O-N 2.97Å
655K91.2Very high91.6Very high152 Ų152107.5 Ų107.566%0.66151%0.511SS*.Hα-helixtrans-66.8-44.3175.4-75.6167-176.3172.80112A651 E652 E653 A658 S659A651-K655 WeakPolarHBondContact O-CB 3.14Å; A651-K655 WeakPolarHBondContact O-CD 3.14Å; A651-K655 VanDerWaalsContact O-CG 3.23Å; A651-K655 WeakPolarHBondContact O-CG 3.29Å; A651-K655 PolarHBondContact O-N 2.8Å; A651-K655 VanDerWaalsContact O-N 3.09Å; E652-K655 PolarHBondContact O-N 3.23Å; E653-K655 VanDerWaalsContact C-N 3.34Å; E653-K655 PolarHBondContact O-N 3.37Å; K655-A658 PolarHBondContact O-N 3.31Å; K655-S659 WeakPolarHBondContact O-CB 3.49Å; K655-S659 PolarHBondContact O-N 2.89Å; K655-S659 PolarHBondContact O-OG 3.35Å
656R90.7Very high91.1Very high159 Ų159107.4 Ų107.460%0.651%0.51SS*.Hα-helixtrans-57.1-51.6174.6-72.4173.2179.6-136.67110.2E652 E653 A658 S659 L660E652-R656 WeakPolarHBondContact O-CG 3.4Å; E652-R656 PolarHBondContact O-N 3.37Å; E652-R656 IonicContact OE1-CZ 2.7Å; E652-R656 IonicContact OE1-NE 2.8Å; E652-R656 PolarHBondContact OE1-NE 2.79Å; E652-R656 IonicContact OE1-NH2 3.23Å; E652-R656 PolarHBondContact OE1-NH2 3.42Å; E653-R656 PolarHBondContact O-N 3.14Å; R656-A658 PolarHBondContact O-N 3.12Å; R656-S659 PolarHBondContact O-N 2.94Å; R656-S659 VanDerWaalsContact O-N 3.16Å; R656-S659 PolarHBondContact O-OG 3.17Å; R656-L660 PolarHBondContact O-N 3.33Å
657F90.1Very high90.8Very high116 Ų116102.5 Ų102.551%0.50950%0.498SS..Hα-helixtrans-60.5-41.7177.2-175.8-98.1000112.9E653 S659 L660 K665E653-F657 WeakPolarHBondContact O-CB 3.39Å; E653-F657 PolarHBondContact O-N 3.04Å; F657-S659 VanDerWaalsContact C-N 3.31Å; F657-S659 PolarHBondContact O-N 3.14Å; F657-L660 HydrophobicContact CD2-CD1 4.49Å; F657-L660 PolarHBondContact O-N 3.2Å; F657-K665 HydrophobicContact CE2-CG 4.43Å; F657-K665 HydrophobicContact CZ-CG 4.31Å; F657-K665 WeakPolarHBondContact O-CE 2.98Å
658A89.3Confident90.4Very high64 Ų64101.2 Ų101.253%0.52949%0.494SS..Hα-helixtrans-61.8-38.3175.900000112.4K654 K655 R656 L660 K665K654-A658 VanDerWaalsContact O-CB 3.3Å; K654-A658 WeakPolarHBondContact O-CB 3.09Å; K654-A658 PolarHBondContact O-N 2.97Å; K655-A658 PolarHBondContact O-N 3.31Å; R656-A658 PolarHBondContact O-N 3.12Å; A658-L660 PolarHBondContact O-N 3.23Å; A658-K665 PolarHBondContact O-NZ 2.87Å
659S89.9Confident90.1Very high97 Ų9798.7 Ų98.768%0.67849%0.489SS*.Hα-helixtrans-74.2-17.7-176.670.60000115.5K655 R656 F657K655-S659 WeakPolarHBondContact O-CB 3.49Å; K655-S659 PolarHBondContact O-N 2.89Å; K655-S659 PolarHBondContact O-OG 3.35Å; R656-S659 PolarHBondContact O-N 2.94Å; R656-S659 VanDerWaalsContact O-N 3.16Å; R656-S659 PolarHBondContact O-OG 3.17Å; F657-S659 VanDerWaalsContact C-N 3.31Å; F657-S659 PolarHBondContact O-N 3.14Å
660L90.8Very high89.6Confident50 Ų5096.7 Ų96.726%0.26249%0.486SS..SBendtrans-64.5150.2176.4-69.5173000112.1R656 F657 A658 E664 K665 L668R656-L660 PolarHBondContact O-N 3.33Å; F657-L660 HydrophobicContact CD2-CD1 4.49Å; F657-L660 PolarHBondContact O-N 3.2Å; A658-L660 PolarHBondContact O-N 3.23Å; L660-E664 HydrophobicContact CB-CB 4.16Å; L660-E664 HydrophobicContact CD2-CB 4.21Å; L660-K665 HydrophobicContact CB-CG 4.01Å; L660-K665 WeakPolarHBondContact O-CE 3.31Å; L660-K665 PolarHBondContact O-NZ 2.82Å; L660-L668 HydrophobicContact CD1-CD1 3.38Å
661T93.8Very high89.1Confident80 Ų8098.3 Ų98.349%0.49149%0.494SS..  trans-70.3159.6172.767.70000111.5R663 E664 K665T661-R663 PolarHBondContact O-N 3.28Å; T661-R663 VanDerWaalsContact O-N 3.16Å; T661-E664 WeakPolarHBondContact CA-OE2 3.27Å; T661-E664 VanDerWaalsContact CB-OE2 3.25Å; T661-E664 WeakPolarHBondContact CB-OE2 3.42Å; T661-E664 WeakPolarHBondContact CG2-OE2 3.46Å; T661-E664 PolarHBondContact N-OE2 3.4Å; T661-E664 PolarHBondContact O-N 3.31Å; T661-E664 VanDerWaalsContact O-N 3.07Å; T661-E664 VanDerWaalsContact OG1-CD 3.28Å; T661-E664 WeakPolarHBondContact OG1-CG 3.48Å; T661-E664 PolarHBondContact OG1-N 3.01Å; T661-E664 PolarHBondContact OG1-OE2 2.89Å; T661-K665 WeakPolarHBondContact O-CG 3.01Å; T661-K665 PolarHBondContact O-N 2.88Å
662D87.4Confident88.7Confident98 Ų98102.8 Ų102.852%0.52451%0.506SS..Hα-helixtrans-57.3-28.1175.1-93.330.3000114.2R666D662-R666 WeakPolarHBondContact O-CB 3.44Å; D662-R666 WeakPolarHBondContact O-CD 3.35Å; D662-R666 WeakPolarHBondContact O-CG 3.32Å; D662-R666 PolarHBondContact O-N 3.14Å; D662-R666 VanDerWaalsContact O-N 3.14Å; D662-R666 PolarHBondContact O-NE 3.07Å; D662-R666 IonicContact OD2-NH2 2.67Å; D662-R666 PolarHBondContact OD2-NH2 2.98Å
663R88.4Confident88.1Confident215 Ų215106.5 Ų106.581%0.81152%0.516SS*.Hα-helixtrans-69.8-44.5175.3-176.9176.5177.9170.5-1.1110.9T661 R666 A667T661-R663 PolarHBondContact O-N 3.28Å; T661-R663 VanDerWaalsContact O-N 3.16Å; R663-R666 PolarHBondContact O-N 3.2Å; R663-A667 PolarHBondContact O-N 3.14Å
664E89.7Confident87.3Confident89 Ų89104.6 Ų104.642%0.41651%0.509SS..Hα-helixtrans-71.4-40.6178.7-66.6157137.700111.5L660 T661 R666 A667 L668L660-E664 HydrophobicContact CB-CB 4.16Å; L660-E664 HydrophobicContact CD2-CB 4.21Å; T661-E664 WeakPolarHBondContact CA-OE2 3.27Å; T661-E664 VanDerWaalsContact CB-OE2 3.25Å; T661-E664 WeakPolarHBondContact CB-OE2 3.42Å; T661-E664 WeakPolarHBondContact CG2-OE2 3.46Å; T661-E664 PolarHBondContact N-OE2 3.4Å; T661-E664 PolarHBondContact O-N 3.31Å; T661-E664 VanDerWaalsContact O-N 3.07Å; T661-E664 VanDerWaalsContact OG1-CD 3.28Å; T661-E664 WeakPolarHBondContact OG1-CG 3.48Å; T661-E664 PolarHBondContact OG1-N 3.01Å; T661-E664 PolarHBondContact OG1-OE2 2.89Å; E664-R666 VanDerWaalsContact C-N 3.31Å; E664-R666 PolarHBondContact O-N 3.15Å; E664-A667 WeakPolarHBondContact O-CB 3.49Å; E664-A667 PolarHBondContact O-N 3.36Å; E664-A667 VanDerWaalsContact O-N 3.11Å; E664-L668 WeakPolarHBondContact O-CG 3.44Å; E664-L668 PolarHBondContact O-N 3.43Å
665K88.8Confident86.7Confident56 Ų56101.2 Ų101.224%0.24351%0.505CS..Hα-helixtrans-57.8-41.8172.5-73.9164.6173.3150.30111.9F657 A658 L660 T661 A669F657-K665 HydrophobicContact CE2-CG 4.43Å; F657-K665 HydrophobicContact CZ-CG 4.31Å; F657-K665 WeakPolarHBondContact O-CE 2.98Å; A658-K665 PolarHBondContact O-NZ 2.87Å; L660-K665 HydrophobicContact CB-CG 4.01Å; L660-K665 WeakPolarHBondContact O-CE 3.31Å; L660-K665 PolarHBondContact O-NZ 2.82Å; T661-K665 WeakPolarHBondContact O-CG 3.01Å; T661-K665 PolarHBondContact O-N 2.88Å; K665-A669 WeakPolarHBondContact O-CB 3.23Å; K665-A669 PolarHBondContact O-N 3.5Å
666R84.2Confident86.1Confident171 Ų17198.7 Ų98.765%0.64550%0.496SS*.Hα-helixtrans-69-37173.7-72.3172.6-134.21780.7112.5D662 R663 E664 A669 A670D662-R666 WeakPolarHBondContact O-CB 3.44Å; D662-R666 WeakPolarHBondContact O-CD 3.35Å; D662-R666 WeakPolarHBondContact O-CG 3.32Å; D662-R666 PolarHBondContact O-N 3.14Å; D662-R666 VanDerWaalsContact O-N 3.14Å; D662-R666 PolarHBondContact O-NE 3.07Å; D662-R666 IonicContact OD2-NH2 2.67Å; D662-R666 PolarHBondContact OD2-NH2 2.98Å; R663-R666 PolarHBondContact O-N 3.2Å; E664-R666 VanDerWaalsContact C-N 3.31Å; E664-R666 PolarHBondContact O-N 3.15Å; R666-A669 PolarHBondContact O-N 3.35Å; R666-A670 WeakPolarHBondContact O-CB 3.3Å; R666-A670 PolarHBondContact O-N 3.2Å
667A88.1Confident85.3Confident46 Ų4696.1 Ų96.138%0.3849%0.49SS..Hα-helixtrans-63.1-51.9174.900000111.4R663 E664 A669 A670 E671R663-A667 PolarHBondContact O-N 3.14Å; E664-A667 WeakPolarHBondContact O-CB 3.49Å; E664-A667 PolarHBondContact O-N 3.36Å; E664-A667 VanDerWaalsContact O-N 3.11Å; A667-A669 VanDerWaalsContact C-N 3.29Å; A667-A669 PolarHBondContact O-N 2.85Å; A667-A670 CarbonylContact O-C 3.46Å; A667-A670 WeakPolarHBondContact O-CA 3.37Å; A667-A670 WeakPolarHBondContact O-CB 3.27Å; A667-A670 PolarHBondContact O-N 2.9Å; A667-E671 WeakPolarHBondContact O-CG 3.35Å; A667-E671 PolarHBondContact O-N 3.5Å
668L84.9Confident84.4Confident73 Ų7392.5 Ų92.538%0.38248%0.482SS..Hα-helixtrans-60.3-36.2176.2-68.5179.9000112.7L660 E664 A670 K672L660-L668 HydrophobicContact CD1-CD1 3.38Å; E664-L668 WeakPolarHBondContact O-CG 3.44Å; E664-L668 PolarHBondContact O-N 3.43Å; L668-A670 VanDerWaalsContact C-N 3.34Å; L668-K672 VanDerWaalsContact O-CB 3.27Å; L668-K672 WeakPolarHBondContact O-CB 3.23Å; L668-K672 PolarHBondContact O-N 3.44Å
669A84.9Confident83.7Confident46 Ų4695.7 Ų95.738%0.3849%0.494SS..Hα-helixtrans-68.5-32.4174.300000112.6K665 R666 A667 R673K665-A669 WeakPolarHBondContact O-CB 3.23Å; K665-A669 PolarHBondContact O-N 3.5Å; R666-A669 PolarHBondContact O-N 3.35Å; A667-A669 VanDerWaalsContact C-N 3.29Å; A667-A669 PolarHBondContact O-N 2.85Å; A669-R673 VanDerWaalsContact O-CG 3.28Å; A669-R673 WeakPolarHBondContact O-CG 3.3Å; A669-R673 PolarHBondContact O-N 2.8Å
670A84.4Confident82.9Confident47 Ų4795.3 Ų95.339%0.38850%0.497SS..Hα-helixtrans-73.9-44.5173.200000111.7R666 A667 L668 K672 R673 L674R666-A670 WeakPolarHBondContact O-CB 3.3Å; R666-A670 PolarHBondContact O-N 3.2Å; A667-A670 CarbonylContact O-C 3.46Å; A667-A670 WeakPolarHBondContact O-CA 3.37Å; A667-A670 WeakPolarHBondContact O-CB 3.27Å; A667-A670 PolarHBondContact O-N 2.9Å; L668-A670 VanDerWaalsContact C-N 3.34Å; A670-K672 VanDerWaalsContact C-N 3.35Å; A670-K672 PolarHBondContact O-N 3.26Å; A670-R673 PolarHBondContact O-N 3.18Å; A670-L674 WeakPolarHBondContact O-CB 3.49Å; A670-L674 VanDerWaalsContact O-CG 3.31Å; A670-L674 WeakPolarHBondContact O-CG 3.44Å; A670-L674 PolarHBondContact O-N 3.15Å
671E85Confident81.5Confident120 Ų12096.8 Ų96.856%0.56151%0.512SS*.Hα-helixtrans-58.5-45173.6-73.2177178.200111.5A667 R673 L674 A675A667-E671 WeakPolarHBondContact O-CG 3.35Å; A667-E671 PolarHBondContact O-N 3.5Å; E671-R673 PolarHBondContact O-N 3.24Å; E671-L674 PolarHBondContact O-N 2.88Å; E671-A675 WeakPolarHBondContact O-CB 3.37Å; E671-A675 PolarHBondContact O-N 3.03Å
672K83.1Confident79.9Confident132 Ų13296.3 Ų96.357%0.57452%0.523SS*.Hα-helixtrans-60.3-44.9175.2178.7167.5172.9172.60111.9L668 A670 L674 A675 E676L668-K672 VanDerWaalsContact O-CB 3.27Å; L668-K672 WeakPolarHBondContact O-CB 3.23Å; L668-K672 PolarHBondContact O-N 3.44Å; A670-K672 VanDerWaalsContact C-N 3.35Å; A670-K672 PolarHBondContact O-N 3.26Å; K672-L674 PolarHBondContact O-N 3.37Å; K672-A675 PolarHBondContact O-N 3.31Å; K672-E676 WeakPolarHBondContact CE-OE1 3.43Å; K672-E676 HydrophobicContact CG-CG 4.42Å; K672-E676 IonicContact NZ-OE1 3.17Å; K672-E676 WeakPolarHBondContact O-CB 3.3Å; K672-E676 VanDerWaalsContact O-CG 3.27Å; K672-E676 WeakPolarHBondContact O-CG 3.41Å; K672-E676 PolarHBondContact O-N 3.26Å
673R82.6Confident78.5Confident168 Ų16896.7 Ų96.763%0.63453%0.528SS*.Hα-helixtrans-63.9-38.4175.5-75.5171.2178.9176.40112.7A669 A670 E671 E676 Q677A669-R673 VanDerWaalsContact O-CG 3.28Å; A669-R673 WeakPolarHBondContact O-CG 3.3Å; A669-R673 PolarHBondContact O-N 2.8Å; A670-R673 PolarHBondContact O-N 3.18Å; E671-R673 PolarHBondContact O-N 3.24Å; R673-E676 PolarHBondContact O-N 2.82Å; R673-Q677 VanDerWaalsContact O-CB 3.32Å; R673-Q677 WeakPolarHBondContact O-CB 3.34Å; R673-Q677 VanDerWaalsContact O-CG 3.22Å; R673-Q677 WeakPolarHBondContact O-CG 3.41Å; R673-Q677 PolarHBondContact O-N 3.47Å
674L75.9Confident76.5Confident91 Ų9191 Ų9148%0.47652%0.521SS..Hα-helixtrans-69.3-36.3176.2-72.2169.2000111.6A670 E671 K672 Q677 A678 L685A670-L674 WeakPolarHBondContact O-CB 3.49Å; A670-L674 VanDerWaalsContact O-CG 3.31Å; A670-L674 WeakPolarHBondContact O-CG 3.44Å; A670-L674 PolarHBondContact O-N 3.15Å; E671-L674 PolarHBondContact O-N 2.88Å; K672-L674 PolarHBondContact O-N 3.37Å; L674-Q677 PolarHBondContact O-N 3.32Å; L674-A678 VanDerWaalsContact O-CB 3.25Å; L674-A678 WeakPolarHBondContact O-CB 3.33Å; L674-A678 PolarHBondContact O-N 3.48Å; L674-L685 HydrophobicContact CD2-CD1 4.05Å
675A78.3Confident74.9Confident55 Ų5592.2 Ų92.246%0.45553%0.53SS..Hα-helixtrans-67.5-44.3172.500000111.8E671 K672 Q677 A678 V679E671-A675 WeakPolarHBondContact O-CB 3.37Å; E671-A675 PolarHBondContact O-N 3.03Å; K672-A675 PolarHBondContact O-N 3.31Å; A675-Q677 VanDerWaalsContact C-N 3.34Å; A675-Q677 PolarHBondContact O-N 2.91Å; A675-A678 PolarHBondContact O-N 3.44Å; A675-V679 WeakPolarHBondContact O-CB 3.34Å; A675-V679 WeakPolarHBondContact O-CG2 3.41Å; A675-V679 PolarHBondContact O-N 3.43Å
676E78.1Confident73.3Confident100 Ų10093.8 Ų93.847%0.46755%0.548SS..Hα-helixtrans-59.8-43.2173.1-73.6165.9168.800111.2K672 R673 V679 A680K672-E676 WeakPolarHBondContact CE-OE1 3.43Å; K672-E676 HydrophobicContact CG-CG 4.42Å; K672-E676 IonicContact NZ-OE1 3.17Å; K672-E676 WeakPolarHBondContact O-CB 3.3Å; K672-E676 VanDerWaalsContact O-CG 3.27Å; K672-E676 WeakPolarHBondContact O-CG 3.41Å; K672-E676 PolarHBondContact O-N 3.26Å; R673-E676 PolarHBondContact O-N 2.82Å; E676-V679 PolarHBondContact O-N 3.28Å; E676-A680 VanDerWaalsContact O-CB 3.26Å; E676-A680 WeakPolarHBondContact O-CB 3.45Å; E676-A680 PolarHBondContact O-N 2.98Å
677Q73.8Confident72Confident105 Ų10590.9 Ų90.949%0.49155%0.546SS..Hα-helixtrans-67.6-37.5174.8-75.4173.8-5.200112.9R673 L674 A675 A680 S681R673-Q677 VanDerWaalsContact O-CB 3.32Å; R673-Q677 WeakPolarHBondContact O-CB 3.34Å; R673-Q677 VanDerWaalsContact O-CG 3.22Å; R673-Q677 WeakPolarHBondContact O-CG 3.41Å; R673-Q677 PolarHBondContact O-N 3.47Å; L674-Q677 PolarHBondContact O-N 3.32Å; A675-Q677 VanDerWaalsContact C-N 3.34Å; A675-Q677 PolarHBondContact O-N 2.91Å; Q677-A680 PolarHBondContact O-N 3.37Å; Q677-S681 WeakPolarHBondContact O-CB 3.09Å; Q677-S681 PolarHBondContact O-N 2.84Å; Q677-S681 PolarHBondContact O-OG 3.38Å
678A71.7Confident70.8Confident40 Ų4092.5 Ų92.533%0.33155%0.551SS.*Hα-helixtrans-67.6-40.2175.500000111.9L674 A675 G682L674-A678 VanDerWaalsContact O-CB 3.25Å; L674-A678 WeakPolarHBondContact O-CB 3.33Å; L674-A678 PolarHBondContact O-N 3.48Å; A675-A678 PolarHBondContact O-N 3.44Å; A678-G682 WeakPolarHBondContact O-CA 3.38Å; A678-G682 PolarHBondContact O-N 3.38Å
679V74.4Confident70.1Confident131 Ų13193.5 Ų93.579%0.79455%0.553SS**Hα-helixtrans-66-40.7173.4170.10000111.3A675 E676A675-V679 WeakPolarHBondContact O-CB 3.34Å; A675-V679 WeakPolarHBondContact O-CG2 3.41Å; A675-V679 PolarHBondContact O-N 3.43Å; E676-V679 PolarHBondContact O-N 3.28Å
680A71.7Confident70Confident89 Ų8998.5 Ų98.574%0.73656%0.562SS**Hα-helixtrans-74.1-29.1178.900000114.1E676 Q677E676-A680 VanDerWaalsContact O-CB 3.26Å; E676-A680 WeakPolarHBondContact O-CB 3.45Å; E676-A680 PolarHBondContact O-N 2.98Å; Q677-A680 PolarHBondContact O-N 3.37Å
681S63.3Low70Confident81 Ų8196.4 Ų96.457%0.56654%0.544SS*.Hα-helixtrans-102.4-15.7-174.8-45.70000113.9Q677 V683Q677-S681 WeakPolarHBondContact O-CB 3.09Å; Q677-S681 PolarHBondContact O-N 2.84Å; Q677-S681 PolarHBondContact O-OG 3.38Å; S681-V683 PolarHBondContact O-N 3.25Å
682G59.9Low69.9Low70 Ų7098 Ų9872%0.72255%0.546SS*.  trans67.40.4177.400000116.4A678A678-G682 WeakPolarHBondContact O-CA 3.38Å; A678-G682 PolarHBondContact O-N 3.38Å
683V56.8Low69.9Low106 Ų10694.2 Ų94.264%0.64254%0.536SS*.SBendtrans-126.7134.1-173.2-179.90000110.6S681S681-V683 PolarHBondContact O-N 3.25Å
684S46.3Very low69.9Low95 Ų9589.7 Ų89.766%0.66453%0.529SS*.  trans-72.7129.2-179-171.90000112.3S686S684-S686 PolarHBondContact O-N 3.32Å
685L56.2Low70Confident114 Ų11487 Ų8760%0.59752%0.524SS*.THydrogen-bonded Turntrans-78.932.7-175.6-68.2171.6000114.2L674L674-L685 HydrophobicContact CD2-CD1 4.05Å
686S55.1Low70.1Confident89 Ų8988.5 Ų88.562%0.62252%0.521SS*.THydrogen-bonded Turntrans-78.2-17.7-174.755.10000115.2S684S684-S686 PolarHBondContact O-N 3.32Å
687N57.2Low70.1Confident111 Ų11185.4 Ų85.459%0.59451%0.51SS*.  trans-119.360.7-168.3-82.8-35.4000114.6Q689N687-Q689 PolarHBondContact O-N 3.32Å
688V62Low70.1Confident80 Ų8081 Ų8149%0.48549%0.49SS..  trans-80.562.2158.4-169.30000109.3L699V688-L699 HydrophobicContact CG1-CD1 4.21Å
689Q71.2Confident70.2Confident94 Ų9484.4 Ų84.444%0.43950%0.502SS..  trans-63143.8174-71.8-161.3-24.700110.3N687 L698N687-Q689 PolarHBondContact O-N 3.32Å; Q689-L698 HydrophobicContact CB-CB 4.42Å; Q689-L698 HydrophobicContact CB-CD1 4.03Å; Q689-L698 WeakPolarHBondContact O-CB 3.24Å; Q689-L698 PolarHBondContact O-N 2.94Å
690R83Confident70Confident151 Ų15182.4 Ų82.457%0.5751%0.508SS*.BIsolated β-bridgetrans-127.7150-179.1-71.4177.1176.7-90.82.6109.8W692 G695 E696R690-W692 PolarHBondContact O-N 3.03Å; R690-G695 WeakPolarHBondContact CD-O 3.43Å; R690-G695 PolarHBondContact NH1-O 2.96Å; R690-E696 CarbonylContact C-O 3.51Å; R690-E696 VanDerWaalsContact CA-O 3.26Å; R690-E696 WeakPolarHBondContact CA-O 3.28Å
691C84.4Confident70.1Confident2 Ų282.3 Ų82.31%0.01449%0.491CS..  trans-61.1117.6174.5177.50000110.2S693 C694 G695 E696 L698 S710 C712 C716C691-S693 PolarHBondContact O-N 2.97Å; C691-S693 VanDerWaalsContact O-N 3.12Å; C691-C694 VanDerWaalsContact CB-SG 3.55Å; C691-C694 PolarHBondContact O-N 3.43Å; C691-C694 VanDerWaalsContact O-N 3.13Å; C691-C694 PolarHBondContact SG-SG 2.91Å; C691-G695 WeakPolarHBondContact O-CA 3.42Å; C691-G695 PolarHBondContact O-N 3.37Å; C691-E696 HydrophobicContact CB-CB 4.48Å; C691-E696 PolarHBondContact N-O 3.42Å; C691-L698 HydrophobicContact CB-CD2 4.28Å; C691-S710 WeakPolarHBondContact CA-O 3.4Å; C691-C712 HydrophobicContact CB-CB 3.89Å; C691-C712 PolarHBondContact SG-N 3.05Å; C691-C716 VanDerWaalsContact SG-SG 3.68Å
692W82.6Confident70.7Confident155 Ų15586 Ų8659%0.58750%0.503SS*.THydrogen-bonded Turntrans-55.5-32.5-179-177.8-110.3000113.3R690 Y709 S710 F711 H720R690-W692 PolarHBondContact O-N 3.03Å; W692-Y709 HydrophobicContact CB-CD1 4.32Å; W692-Y709 AromaticContact CD1-CD1 3.73Å; W692-Y709 AromaticContact CD1-CG 3.81Å; W692-Y709 AromaticContact CD2-CD1 3.33Å; W692-Y709 HydrophobicContact CD2-CD1 3.33Å; W692-Y709 AromaticContact CD2-CE1 3.66Å; W692-Y709 HydrophobicContact CD2-CE1 3.66Å; W692-Y709 HydrophobicContact CD2-CG 4.18Å; W692-Y709 AromaticContact CE2-CD1 3.43Å; W692-Y709 VanDerWaalsContact CE2-CD1 3.43Å; W692-Y709 AromaticContact CE2-CE1 3.28Å; W692-Y709 AromaticContact CE2-CZ 3.99Å; W692-Y709 AromaticContact CE3-CD1 3.78Å; W692-Y709 HydrophobicContact CE3-CD1 3.78Å; W692-Y709 AromaticContact CE3-CE1 4Å; W692-Y709 HydrophobicContact CE3-CE1 4Å; W692-Y709 AromaticContact CG-CD1 3.57Å; W692-Y709 HydrophobicContact CG-CD1 3.57Å; W692-Y709 HydrophobicContact CG-CE1 4.28Å; W692-Y709 AromaticContact CG-CG 3.95Å; W692-Y709 HydrophobicContact CG-CG 3.95Å; W692-Y709 HydrophobicContact CH2-CD1 4.36Å; W692-Y709 AromaticContact CH2-CE1 3.73Å; W692-Y709 HydrophobicContact CH2-CE1 3.73Å; W692-Y709 AromaticContact CZ2-CD1 3.98Å; W692-Y709 HydrophobicContact CZ2-CD1 3.98Å; W692-Y709 AromaticContact CZ2-CE1 3.34Å; W692-Y709 HydrophobicContact CZ2-CE1 3.34Å; W692-Y709 AromaticContact CZ2-CZ 3.95Å; W692-Y709 HydrophobicContact CZ3-CD1 4.26Å; W692-Y709 HydrophobicContact CZ3-CE1 4.03Å; W692-Y709 AromaticContact NE1-CD1 3.64Å; W692-Y709 AromaticContact NE1-CE1 3.69Å; W692-Y709 AromaticContact NE1-CG 3.98Å; W692-S710 PolarHBondContact N-O 3.12Å; W692-F711 HydrophobicContact CB-CD1 4.23Å; W692-F711 HydrophobicContact CB-CE1 3.75Å; W692-F711 HydrophobicContact CB-CZ 4.12Å; W692-F711 AromaticContact CD1-CE1 3.93Å; W692-F711 AromaticContact CD1-CZ 3.98Å; W692-F711 HydrophobicContact CG-CE1 4.27Å; W692-F711 HydrophobicContact CG-CZ 4.43Å; W692-H720 AromaticContact CD1-CD2 3.75Å; W692-H720 AromaticContact CD1-NE2 3.92Å; W692-H720 AromaticContact NE1-CD2 3.91Å; W692-H720 AromaticContact NE1-NE2 3.82Å
693S82.3Confident71.7Confident52 Ų5284.8 Ų84.836%0.36448%0.482SS..THydrogen-bonded Turntrans-86.4-12.7-178.4-175.90000115.5C691C691-S693 PolarHBondContact O-N 2.97Å; C691-S693 VanDerWaalsContact O-N 3.12Å
694C83.2Confident72.9Confident72 Ų7284.4 Ų84.449%0.48647%0.472SS..THydrogen-bonded Turntrans-150.82.1-175.369.90000116.4C691 E696C691-C694 VanDerWaalsContact CB-SG 3.55Å; C691-C694 PolarHBondContact O-N 3.43Å; C691-C694 VanDerWaalsContact O-N 3.13Å; C691-C694 PolarHBondContact SG-SG 2.91Å; C694-E696 PolarHBondContact O-N 2.87Å
695G78.6Confident74.7Confident36 Ų3685.1 Ų85.137%0.37147%0.469SS..  trans71.1-6.2177.600000116R690 C691R690-G695 WeakPolarHBondContact CD-O 3.43Å; R690-G695 PolarHBondContact NH1-O 2.96Å; C691-G695 WeakPolarHBondContact O-CA 3.42Å; C691-G695 PolarHBondContact O-N 3.37Å
696E80.8Confident75.9Confident85 Ų8583.7 Ų83.740%0.39746%0.456SS..  trans-58.8139.8177.5-162.6-167.9-158.100111.1R690 C691 C694 K701 C712R690-E696 CarbonylContact C-O 3.51Å; R690-E696 VanDerWaalsContact CA-O 3.26Å; R690-E696 WeakPolarHBondContact CA-O 3.28Å; C691-E696 HydrophobicContact CB-CB 4.48Å; C691-E696 PolarHBondContact N-O 3.42Å; C694-E696 PolarHBondContact O-N 2.87Å; E696-K701 IonicContact OE1-NZ 2.65Å; E696-K701 PolarHBondContact OE1-NZ 3.26Å; E696-K701 IonicContact OE2-NZ 2.76Å; E696-K701 PolarHBondContact OE2-NZ 3.21Å; E696-C712 VanDerWaalsContact OE2-CB 3.3Å; E696-C712 WeakPolarHBondContact OE2-CB 3.32Å; E696-C712 PolarHBondContact OE2-SG 2.87Å
697S77.7Confident77.2Confident35 Ų3586 Ų8625%0.24546%0.461CS..BIsolated β-bridgetrans-67.9139.7178.6-169.20000111.7L699S697-L699 WeakPolarHBondContact OG-CG 3.37Å; S697-L699 PolarHBondContact OG-N 3.49Å
698L73.9Confident78.4Confident13 Ų1389.4 Ų89.47%0.06847%0.473CS..  trans-93.31.1175.5-60170.2000112.2Q689 C691 G700 K701 P703 C712Q689-L698 HydrophobicContact CB-CB 4.42Å; Q689-L698 HydrophobicContact CB-CD1 4.03Å; Q689-L698 WeakPolarHBondContact O-CB 3.24Å; Q689-L698 PolarHBondContact O-N 2.94Å; C691-L698 HydrophobicContact CB-CD2 4.28Å; L698-G700 PolarHBondContact O-N 3.34Å; L698-K701 PolarHBondContact O-N 3.29Å; L698-P703 HydrophobicContact CD1-CB 4.03Å; L698-P703 HydrophobicContact CD2-CB 4.28Å; L698-C712 HydrophobicContact CD2-CB 3.62Å
699L74.3Confident79.5Confident111 Ų11189.2 Ų89.258%0.58146%0.464SS*.THydrogen-bonded Turntrans-57120.3173.7-66.3174000110.1V688 S697 K701V688-L699 HydrophobicContact CG1-CD1 4.21Å; S697-L699 WeakPolarHBondContact OG-CG 3.37Å; S697-L699 PolarHBondContact OG-N 3.49Å; L699-K701 VanDerWaalsContact C-N 3.31Å; L699-K701 PolarHBondContact O-N 3.41Å
700G70.1Confident80.2Confident90 Ų9085.6 Ų85.693%0.92845%0.449SS*.THydrogen-bonded Turntrans77.73.4-178.400000115.9L698L698-G700 PolarHBondContact O-N 3.34Å
701K72.4Confident80.4Confident87 Ų8778.4 Ų78.438%0.37842%0.422SS..SBendtrans-112.4143.7173.2-57.1-170.1-171.9-169.90110.1E696 L698 L699 P703 C712E696-K701 IonicContact OE1-NZ 2.65Å; E696-K701 PolarHBondContact OE1-NZ 3.26Å; E696-K701 IonicContact OE2-NZ 2.76Å; E696-K701 PolarHBondContact OE2-NZ 3.21Å; L698-K701 PolarHBondContact O-N 3.29Å; L699-K701 VanDerWaalsContact C-N 3.31Å; L699-K701 PolarHBondContact O-N 3.41Å; K701-P703 VanDerWaalsContact O-CD 3.31Å; K701-P703 WeakPolarHBondContact O-CD 3.38Å; K701-C712 HydrophobicContact CD-CB 4.42Å
702I75.8Confident80.5Confident157 Ų15778.9 Ų78.981%0.80543%0.425SS*.PPolyproline II helixtrans-75.3116.8167.9-59.1174.8000107.4
703P82.2Confident80.8Confident45 Ų4574 Ų7429%0.29241%0.413SS..PPolyproline II helixtrans-79.2143.8-177.432.4-34.6000111.6L698 K701L698-P703 HydrophobicContact CD1-CB 4.03Å; L698-P703 HydrophobicContact CD2-CB 4.28Å; K701-P703 VanDerWaalsContact O-CD 3.31Å; K701-P703 WeakPolarHBondContact O-CD 3.38Å
704F82.1Confident81Confident98 Ų9874.7 Ų74.743%0.4342%0.416SS..EExtended strand (participates in β ladder)trans-84.3121.9165.2-62.3-91.9000108.1S710 F711 P714 V717F704-S710 CarbonylContact O-C 3.52Å; F704-F711 HydrophobicContact CB-CB 4.44Å; F704-F711 PolarHBondContact N-O 3.42Å; F704-F711 WeakPolarHBondContact O-CD2 3.27Å; F704-F711 PolarHBondContact O-N 2.94Å; F704-P714 HydrophobicContact CD1-CG 4.45Å; F704-P714 HydrophobicContact CE1-CG 3.91Å; F704-P714 HydrophobicContact CE2-CG 4.09Å; F704-P714 HydrophobicContact CZ-CG 3.71Å; F704-V717 HydrophobicContact CB-CG2 3.66Å; F704-V717 HydrophobicContact CG-CG2 4.45Å
705N84.3Confident81.2Confident110 Ų11081.3 Ų81.359%0.58843%0.43SS*.EExtended strand (participates in β ladder)trans-100.1138.1176.7-65.8-15000110.4Y709 S710N705-Y709 WeakPolarHBondContact CA-O 3.44Å; N705-S710 WeakPolarHBondContact OD1-CB 3.45Å; N705-S710 PolarHBondContact OD1-OG 3.25Å
706Y81.2Confident81.6Confident85 Ų8580.3 Ų80.333%0.33342%0.418SS..EExtended strand (participates in β ladder)trans-146115.7173.6-178.8-87.7000109.4Y709 V717 H720 R721Y706-Y709 PolarHBondContact N-O 2.99Å; Y706-Y709 PolarHBondContact O-N 2.95Å; Y706-V717 HydrophobicContact CD2-CG1 4.22Å; Y706-V717 HydrophobicContact CG-CG1 4.09Å; Y706-H720 AromaticContact CD1-ND1 3.86Å; Y706-R721 HydrophobicContact CD1-CG 4.1Å; Y706-R721 HydrophobicContact CD2-CG 4.33Å; Y706-R721 HydrophobicContact CE1-CG 3.63Å; Y706-R721 VanDerWaalsContact CE2-CD 3.45Å; Y706-R721 HydrophobicContact CE2-CG 3.88Å; Y706-R721 HydrophobicContact CG-CG 4.42Å; Y706-R721 VanDerWaalsContact CZ-CG 3.5Å; Y706-R721 PolarHBondContact OH-NE 2.91Å
707L82.6Confident82Confident137 Ų13777.2 Ų77.272%0.71741%0.405SS*.THydrogen-bonded Turntrans53.9-140.8-159.1-51.7174.3000109.3Y709L707-Y709 HydrophobicContact CB-CD2 4.48Å; L707-Y709 PolarHBondContact O-N 2.86Å
708E82.3Confident82.4Confident183 Ų18381.1 Ų81.186%0.85542%0.419SS*.THydrogen-bonded Turntrans-78.41.9-178.6-61.3175.8171.200113.6
709Y83.7Confident83Confident76 Ų7682.8 Ų82.830%0.29844%0.435SS..EExtended strand (participates in β ladder)trans-107.9136.7-170.5-55.6-69.9000112.9W692 N705 Y706 L707 F711 H720W692-Y709 HydrophobicContact CB-CD1 4.32Å; W692-Y709 AromaticContact CD1-CD1 3.73Å; W692-Y709 AromaticContact CD1-CG 3.81Å; W692-Y709 AromaticContact CD2-CD1 3.33Å; W692-Y709 HydrophobicContact CD2-CD1 3.33Å; W692-Y709 AromaticContact CD2-CE1 3.66Å; W692-Y709 HydrophobicContact CD2-CE1 3.66Å; W692-Y709 HydrophobicContact CD2-CG 4.18Å; W692-Y709 AromaticContact CE2-CD1 3.43Å; W692-Y709 VanDerWaalsContact CE2-CD1 3.43Å; W692-Y709 AromaticContact CE2-CE1 3.28Å; W692-Y709 AromaticContact CE2-CZ 3.99Å; W692-Y709 AromaticContact CE3-CD1 3.78Å; W692-Y709 HydrophobicContact CE3-CD1 3.78Å; W692-Y709 AromaticContact CE3-CE1 4Å; W692-Y709 HydrophobicContact CE3-CE1 4Å; W692-Y709 AromaticContact CG-CD1 3.57Å; W692-Y709 HydrophobicContact CG-CD1 3.57Å; W692-Y709 HydrophobicContact CG-CE1 4.28Å; W692-Y709 AromaticContact CG-CG 3.95Å; W692-Y709 HydrophobicContact CG-CG 3.95Å; W692-Y709 HydrophobicContact CH2-CD1 4.36Å; W692-Y709 AromaticContact CH2-CE1 3.73Å; W692-Y709 HydrophobicContact CH2-CE1 3.73Å; W692-Y709 AromaticContact CZ2-CD1 3.98Å; W692-Y709 HydrophobicContact CZ2-CD1 3.98Å; W692-Y709 AromaticContact CZ2-CE1 3.34Å; W692-Y709 HydrophobicContact CZ2-CE1 3.34Å; W692-Y709 AromaticContact CZ2-CZ 3.95Å; W692-Y709 HydrophobicContact CZ3-CD1 4.26Å; W692-Y709 HydrophobicContact CZ3-CE1 4.03Å; W692-Y709 AromaticContact NE1-CD1 3.64Å; W692-Y709 AromaticContact NE1-CE1 3.69Å; W692-Y709 AromaticContact NE1-CG 3.98Å; N705-Y709 WeakPolarHBondContact CA-O 3.44Å; Y706-Y709 PolarHBondContact N-O 2.99Å; Y706-Y709 PolarHBondContact O-N 2.95Å; L707-Y709 HydrophobicContact CB-CD2 4.48Å; L707-Y709 PolarHBondContact O-N 2.86Å; Y709-F711 HydrophobicContact CG-CZ 4.47Å; Y709-F711 WeakPolarHBondContact O-CD2 3.36Å; Y709-F711 VanDerWaalsContact O-CE2 3.23Å; Y709-F711 WeakPolarHBondContact O-CE2 3.34Å; Y709-H720 AromaticContact CD2-CE1 3.58Å; Y709-H720 AromaticContact CD2-NE2 3.7Å; Y709-H720 AromaticContact CE2-NE2 3.9Å
710S87.3Confident83.6Confident17 Ų1778.3 Ų78.312%0.11941%0.411CS..EExtended strand (participates in β ladder)trans-103.7141.4177.4-62.60000112C691 W692 F704 N705C691-S710 WeakPolarHBondContact CA-O 3.4Å; W692-S710 PolarHBondContact N-O 3.12Å; F704-S710 CarbonylContact O-C 3.52Å; N705-S710 WeakPolarHBondContact OD1-CB 3.45Å; N705-S710 PolarHBondContact OD1-OG 3.25Å
711F86.8Confident84.4Confident0 Ų080.6 Ų80.60%039%0.392CS..EExtended strand (participates in β ladder)trans-136.3144.5-171.9-57.7-86.6000112W692 F704 Y709 C716 V717 H720W692-F711 HydrophobicContact CB-CD1 4.23Å; W692-F711 HydrophobicContact CB-CE1 3.75Å; W692-F711 HydrophobicContact CB-CZ 4.12Å; W692-F711 AromaticContact CD1-CE1 3.93Å; W692-F711 AromaticContact CD1-CZ 3.98Å; W692-F711 HydrophobicContact CG-CE1 4.27Å; W692-F711 HydrophobicContact CG-CZ 4.43Å; F704-F711 HydrophobicContact CB-CB 4.44Å; F704-F711 PolarHBondContact N-O 3.42Å; F704-F711 WeakPolarHBondContact O-CD2 3.27Å; F704-F711 PolarHBondContact O-N 2.94Å; Y709-F711 HydrophobicContact CG-CZ 4.47Å; Y709-F711 WeakPolarHBondContact O-CD2 3.36Å; Y709-F711 VanDerWaalsContact O-CE2 3.23Å; Y709-F711 WeakPolarHBondContact O-CE2 3.34Å; F711-C716 HydrophobicContact CB-CB 3.98Å; F711-C716 HydrophobicContact CD1-CB 3.92Å; F711-C716 HydrophobicContact CG-CB 4.36Å; F711-V717 HydrophobicContact CB-CG2 3.69Å; F711-V717 HydrophobicContact CD2-CG2 3.76Å; F711-V717 HydrophobicContact CG-CG2 3.82Å; F711-H720 HydrophobicContact CE1-CB 3.67Å; F711-H720 AromaticContact CE1-CG 3.9Å; F711-H720 HydrophobicContact CZ-CB 3.69Å; F711-H720 AromaticContact CZ-CD2 3.99Å; F711-H720 AromaticContact CZ-CG 3.48Å; F711-H720 VanDerWaalsContact CZ-CG 3.48Å; F711-H720 AromaticContact CZ-ND1 3.55Å
712C87.1Confident84.9Confident13 Ų1384.5 Ų84.59%0.08841%0.409CS..SBendtrans-80.9-19.3-177.663.30000114.6C691 E696 L698 K701C691-C712 HydrophobicContact CB-CB 3.89Å; C691-C712 PolarHBondContact SG-N 3.05Å; E696-C712 VanDerWaalsContact OE2-CB 3.3Å; E696-C712 WeakPolarHBondContact OE2-CB 3.32Å; E696-C712 PolarHBondContact OE2-SG 2.87Å; L698-C712 HydrophobicContact CD2-CB 3.62Å; K701-C712 HydrophobicContact CD-CB 4.42Å
713T88.4Confident85.1Confident53 Ų5380.9 Ų80.933%0.32540%0.402SS..SBendtrans-147.9159.2-17966.60000112.2R715 C716 V717T713-R715 PolarHBondContact O-N 3.21Å; T713-C716 WeakPolarHBondContact O-CB 3.33Å; T713-C716 PolarHBondContact O-N 3.45Å; T713-C716 VanDerWaalsContact O-N 3.14Å; T713-C716 PolarHBondContact OG1-N 3.39Å; T713-C716 PolarHBondContact OG1-SG 2.89Å; T713-C716 VanDerWaalsContact OG1-SG 3.37Å; T713-V717 PolarHBondContact O-N 3.45Å
714P86.9Confident84.8Confident66 Ų6684.1 Ų84.143%0.42942%0.417SS..Hα-helixtrans-60.5-28.4172.8-24.435.5000113.7F704 V717 Q718F704-P714 HydrophobicContact CD1-CG 4.45Å; F704-P714 HydrophobicContact CE1-CG 3.91Å; F704-P714 HydrophobicContact CE2-CG 4.09Å; F704-P714 HydrophobicContact CZ-CG 3.71Å; P714-V717 PolarHBondContact O-N 3.4Å; P714-Q718 WeakPolarHBondContact O-CG 3.46Å; P714-Q718 PolarHBondContact O-N 3.01Å
715R87.4Confident84.6Confident210 Ų21082.3 Ų82.379%0.79242%0.42SS*.Hα-helixtrans-63.3-41.2175.3-71.9-175175.3-177.2-0.9111.6T713 Q718 A719T713-R715 PolarHBondContact O-N 3.21Å; R715-Q718 PolarHBondContact O-N 3.29Å; R715-A719 WeakPolarHBondContact O-CB 3.36Å; R715-A719 PolarHBondContact O-N 3.03Å
716C87Confident83.6Confident15 Ų1582 Ų8210%0.10142%0.423CS..Hα-helixtrans-63.6-41.8174.8-690000112.3C691 F711 T713 A719 H720C691-C716 VanDerWaalsContact SG-SG 3.68Å; F711-C716 HydrophobicContact CB-CB 3.98Å; F711-C716 HydrophobicContact CD1-CB 3.92Å; F711-C716 HydrophobicContact CG-CB 4.36Å; T713-C716 WeakPolarHBondContact O-CB 3.33Å; T713-C716 PolarHBondContact O-N 3.45Å; T713-C716 VanDerWaalsContact O-N 3.14Å; T713-C716 PolarHBondContact OG1-N 3.39Å; T713-C716 PolarHBondContact OG1-SG 2.89Å; T713-C716 VanDerWaalsContact OG1-SG 3.37Å; C716-A719 PolarHBondContact O-N 3.28Å; C716-H720 PolarHBondContact O-N 3.5Å; C716-H720 VanDerWaalsContact O-N 3.09Å
717V88.9Confident82.7Confident20 Ų2084 Ų8412%0.12145%0.447CS..Hα-helixtrans-62-44.5173.5-176.30000111F704 Y706 F711 T713 P714 H720 R721F704-V717 HydrophobicContact CB-CG2 3.66Å; F704-V717 HydrophobicContact CG-CG2 4.45Å; Y706-V717 HydrophobicContact CD2-CG1 4.22Å; Y706-V717 HydrophobicContact CG-CG1 4.09Å; F711-V717 HydrophobicContact CB-CG2 3.69Å; F711-V717 HydrophobicContact CD2-CG2 3.76Å; F711-V717 HydrophobicContact CG-CG2 3.82Å; T713-V717 PolarHBondContact O-N 3.45Å; P714-V717 PolarHBondContact O-N 3.4Å; V717-H720 PolarHBondContact O-N 3.28Å; V717-R721 HydrophobicContact CG1-CG 4.42Å; V717-R721 WeakPolarHBondContact O-CB 3.46Å; V717-R721 VanDerWaalsContact O-CG 3.3Å; V717-R721 WeakPolarHBondContact O-CG 3.49Å; V717-R721 PolarHBondContact O-N 3.07Å
718Q86.6Confident81.4Confident117 Ų11784.8 Ų84.855%0.54745%0.452SS..Hα-helixtrans-65.7-38.4178.7-73.3177.17.200112.8P714 R715 R721 K722P714-Q718 WeakPolarHBondContact O-CG 3.46Å; P714-Q718 PolarHBondContact O-N 3.01Å; R715-Q718 PolarHBondContact O-N 3.29Å; Q718-R721 PolarHBondContact O-N 3.36Å; Q718-K722 WeakPolarHBondContact O-CG 3.19Å; Q718-K722 PolarHBondContact O-N 2.98Å
719A86Confident79.8Confident49 Ų4985.3 Ų85.341%0.40545%0.452SS..Hα-helixtrans-61.6-49.2174.600000111.1R715 C716 R721 K722 A723R715-A719 WeakPolarHBondContact O-CB 3.36Å; R715-A719 PolarHBondContact O-N 3.03Å; C716-A719 PolarHBondContact O-N 3.28Å; A719-R721 VanDerWaalsContact C-N 3.34Å; A719-R721 PolarHBondContact O-N 3.46Å; A719-K722 PolarHBondContact O-N 2.62Å; A719-K722 VanDerWaalsContact O-N 3.17Å; A719-A723 PolarHBondContact O-N 2.94Å
720H86.3Confident78.1Confident16 Ų1687.3 Ų87.37%0.07448%0.476CS..Hα-helixtrans-58.8-42.8175.3-178.8-108.9000112.6W692 Y706 Y709 F711 C716 V717 K722 A723 N724W692-H720 AromaticContact CD1-CD2 3.75Å; W692-H720 AromaticContact CD1-NE2 3.92Å; W692-H720 AromaticContact NE1-CD2 3.91Å; W692-H720 AromaticContact NE1-NE2 3.82Å; Y706-H720 AromaticContact CD1-ND1 3.86Å; Y709-H720 AromaticContact CD2-CE1 3.58Å; Y709-H720 AromaticContact CD2-NE2 3.7Å; Y709-H720 AromaticContact CE2-NE2 3.9Å; F711-H720 HydrophobicContact CE1-CB 3.67Å; F711-H720 AromaticContact CE1-CG 3.9Å; F711-H720 HydrophobicContact CZ-CB 3.69Å; F711-H720 AromaticContact CZ-CD2 3.99Å; F711-H720 AromaticContact CZ-CG 3.48Å; F711-H720 VanDerWaalsContact CZ-CG 3.48Å; F711-H720 AromaticContact CZ-ND1 3.55Å; C716-H720 PolarHBondContact O-N 3.5Å; C716-H720 VanDerWaalsContact O-N 3.09Å; V717-H720 PolarHBondContact O-N 3.28Å; H720-K722 VanDerWaalsContact C-N 3.34Å; H720-K722 PolarHBondContact O-N 3.13Å; H720-A723 PolarHBondContact O-N 2.97Å; H720-N724 PolarHBondContact CD2-ND2 3.18Å; H720-N724 VanDerWaalsContact CD2-ND2 3.35Å; H720-N724 PolarHBondContact NE2-ND2 3.35Å; H720-N724 WeakPolarHBondContact O-CB 3.16Å; H720-N724 PolarHBondContact O-N 3.46Å
721R86.6Confident76.4Confident139 Ų13993.6 Ų93.653%0.52551%0.507SS..Hα-helixtrans-66.9-29.2176.6-73.2-179.373.6-168.3-0.9113.9Y706 V717 Q718 A719 A725Y706-R721 HydrophobicContact CD1-CG 4.1Å; Y706-R721 HydrophobicContact CD2-CG 4.33Å; Y706-R721 HydrophobicContact CE1-CG 3.63Å; Y706-R721 VanDerWaalsContact CE2-CD 3.45Å; Y706-R721 HydrophobicContact CE2-CG 3.88Å; Y706-R721 HydrophobicContact CG-CG 4.42Å; Y706-R721 VanDerWaalsContact CZ-CG 3.5Å; Y706-R721 PolarHBondContact OH-NE 2.91Å; V717-R721 HydrophobicContact CG1-CG 4.42Å; V717-R721 WeakPolarHBondContact O-CB 3.46Å; V717-R721 VanDerWaalsContact O-CG 3.3Å; V717-R721 WeakPolarHBondContact O-CG 3.49Å; V717-R721 PolarHBondContact O-N 3.07Å; Q718-R721 PolarHBondContact O-N 3.36Å; A719-R721 VanDerWaalsContact C-N 3.34Å; A719-R721 PolarHBondContact O-N 3.46Å; R721-A725 PolarHBondContact O-N 2.85Å
722K84.4Confident74.5Confident169 Ų16999.2 Ų99.274%0.73554%0.541SS*.Hα-helixtrans-76.4-40.6173.6-76.4-178177-173.30112.1Q718 A719 H720 N724Q718-K722 WeakPolarHBondContact O-CG 3.19Å; Q718-K722 PolarHBondContact O-N 2.98Å; A719-K722 PolarHBondContact O-N 2.62Å; A719-K722 VanDerWaalsContact O-N 3.17Å; H720-K722 VanDerWaalsContact C-N 3.34Å; H720-K722 PolarHBondContact O-N 3.13Å; K722-N724 VanDerWaalsContact C-N 3.33Å
723A79.6Confident72.4Confident80 Ų80106 Ų10666%0.66157%0.571SS**Hα-helixtrans-65.5-36.5177.700000112.5A719 H720A719-A723 PolarHBondContact O-N 2.94Å; H720-A723 PolarHBondContact O-N 2.97Å
724N75.6Confident70Confident114 Ų114116 Ų11661%0.6161%0.611SS**THydrogen-bonded Turntrans-101.924.6-179.3-67.4-37000113.6H720 K722H720-N724 PolarHBondContact CD2-ND2 3.18Å; H720-N724 VanDerWaalsContact CD2-ND2 3.35Å; H720-N724 PolarHBondContact NE2-ND2 3.35Å; H720-N724 WeakPolarHBondContact O-CB 3.16Å; H720-N724 PolarHBondContact O-N 3.46Å; K722-N724 VanDerWaalsContact C-N 3.33Å
725A76.8Confident69.1Low59 Ų59118.6 Ų118.649%0.48862%0.62SS.*  trans-83132.9170.400000110.1R721R721-A725 PolarHBondContact O-N 2.85Å
726P65Low68.1Low103 Ų103113.7 Ų113.767%0.66961%0.611SS**  trans-65.2146.817328.5-34.4000110.3N728P726-N728 PolarHBondContact O-N 3.5Å
727P60.9Low67.1Low127 Ų127119.2 Ų119.283%0.82564%0.639SS**  trans-66.1109.717826.5-33.5000110.1K729P727-K729 PolarHBondContact O-N 3.06Å
728N56Low65.8Low154 Ų154125.1 Ų125.182%0.82467%0.67SS**  trans-62.7120.1177.4-90.4-14.4000110.4P726 S730P726-N728 PolarHBondContact O-N 3.5Å; N728-S730 PolarHBondContact O-N 2.93Å; N728-S730 VanDerWaalsContact O-N 3.13Å
729K49.2Very low64.5Low195 Ų195125.6 Ų125.685%0.84868%0.677SS**  trans-66108168.1-69.6-178.5176.5-178.70109.3P727 I731P727-K729 PolarHBondContact O-N 3.06Å; K729-I731 PolarHBondContact O-N 2.72Å
730S48.2Very low63.1Low117 Ų117130.7 Ų130.782%0.81870%0.695SS**  trans-66.5110.4159.649.90000108.8N728N728-S730 PolarHBondContact O-N 2.93Å; N728-S730 VanDerWaalsContact O-N 3.13Å
731I50.1Low61.4Low149 Ų149138.9 Ų138.976%0.76474%0.74SS**  trans-73.4171.9164.3-59.5167.4000107.7K729K729-I731 PolarHBondContact O-N 2.72Å
732V47.5Very low59.5Low119 Ų119138.8 Ų138.872%0.72176%0.756SS**  trans84.2124.1176-175.30000112.2
733E43.1Very low57.4Low154 Ų154136.3 Ų136.372%0.7276%0.758SS**  cis-156.5162.6-0.2-133.2171.2-130.100112.3
734K37.1Very low55.4Low265 Ų265141.5 Ų141.5100%1.15277%0.767SS**  trans68.50168.8-64.4177.1-175.5172.10117.6

Retrieved 734 of 734 residues in 223.2 ms (Link to these results)

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