A0A087YN46_POEFO Loading...

Extracellular calcium-sensing receptor

AlphaFold DB , UniProt , Accession A0A087YN46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 940 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
1M48.2Very low42.7Very low233 Ų233148.8 Ų148.8100%1.14873%0.726SS**  068.80-167.5177.184.400111.1
2R40.5Very low41.8Very low225 Ų225140.9 Ų140.985%0.84971%0.712SS**  trans-145.4-44.9170.9-81.7-167173.3175.6-2.8112.2F4 L5R2-F4 PolarHBondContact O-N 2.96Å; R2-L5 PolarHBondContact O-N 3.04Å; R2-L5 VanDerWaalsContact O-N 3.13Å
3L44.7Very low41Very low160 Ų160136.3 Ų136.384%0.83870%0.701SS**Hα-helixtrans-54.7-34.4174.7-81.8155000114.5L5L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 3Å
4F45.8Very low40.3Very low170 Ų170137 Ų13775%0.74671%0.707SS**Hα-helixtrans-70.3-20.3-178.9-139.2-90000113.7R2R2-F4 PolarHBondContact O-N 2.96Å
5L44.2Very low39.3Very low121 Ų121141.9 Ų141.963%0.63471%0.714SS**Hα-helixtrans-79.2-38.3179.3-135.975.9000111.5R2 L3 Y7 L8 I9R2-L5 PolarHBondContact O-N 3.04Å; R2-L5 VanDerWaalsContact O-N 3.13Å; L3-L5 VanDerWaalsContact C-N 3.27Å; L3-L5 PolarHBondContact O-N 3Å; L5-Y7 VanDerWaalsContact C-N 3.27Å; L5-Y7 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 2.89Å; L5-I9 WeakPolarHBondContact O-CG1 3.39Å; L5-I9 PolarHBondContact O-N 3.31Å
6C43.1Very low38.6Very low80 Ų80140.5 Ų140.554%0.54172%0.715SS.*Hα-helixtrans-63.4-33.4177.5-57.60000112.3L8 I9 V10C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.4Å; C6-I9 PolarHBondContact O-N 3.2Å; C6-V10 WeakPolarHBondContact O-CG2 3.45Å; C6-V10 PolarHBondContact O-N 3.25Å; C6-V10 VanDerWaalsContact O-N 3.14Å
7Y41.1Very low37.9Very low180 Ų180139.1 Ų139.171%0.70671%0.708SS**Hα-helixtrans-68.3-33.4-179.8-147.5-91.5000112.7L5 L11L5-Y7 VanDerWaalsContact C-N 3.27Å; L5-Y7 PolarHBondContact O-N 3.48Å; Y7-L11 HydrophobicContact CD1-CD1 4.07Å; Y7-L11 HydrophobicContact CE1-CD1 4.18Å; Y7-L11 PolarHBondContact O-N 3.25Å
8L41.2Very low37.4Very low110 Ų110136.1 Ų136.158%0.57670%0.702SS**Hα-helixtrans-73.3-32.5173.6-78.6164.5000112.6L5 C6 L11 G12L5-L8 PolarHBondContact O-N 2.89Å; C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 3.13Å; L8-G12 PolarHBondContact O-N 3.21Å; L8-G12 VanDerWaalsContact O-N 3.11Å
9I44.5Very low37.2Very low124 Ų124132.2 Ų132.264%0.63669%0.685SS**Hα-helixtrans-71.1-33.7177.6-65.8168.7000111.4L5 C6 G12L5-I9 WeakPolarHBondContact O-CG1 3.39Å; L5-I9 PolarHBondContact O-N 3.31Å; C6-I9 PolarHBondContact O-N 3.2Å; I9-G12 PolarHBondContact O-N 2.9Å
10V40.5Very low37.2Very low110 Ų110133.9 Ų133.967%0.66768%0.683SS**Hα-helixtrans-73.8-28.7175.5175.80000112.5C6 G12 S13C6-V10 WeakPolarHBondContact O-CG2 3.45Å; C6-V10 PolarHBondContact O-N 3.25Å; C6-V10 VanDerWaalsContact O-N 3.14Å; V10-G12 VanDerWaalsContact C-N 3.27Å; V10-S13 PolarHBondContact O-N 2.87Å; V10-S13 PolarHBondContact O-OG 2.78Å
11L35.8Very low37.7Very low124 Ų124128.8 Ų128.865%0.64966%0.664SS**THydrogen-bonded Turntrans-79-9.6169.5-74.7166.6000113.4Y7 L8 S13Y7-L11 HydrophobicContact CD1-CD1 4.07Å; Y7-L11 HydrophobicContact CE1-CD1 4.18Å; Y7-L11 PolarHBondContact O-N 3.25Å; L8-L11 PolarHBondContact O-N 3.13Å; L11-S13 PolarHBondContact O-N 2.87Å
12G31.7Very low38.3Very low54 Ų54118.7 Ų118.756%0.55762%0.616SS**THydrogen-bonded Turntrans-84.220.6165.700000113.3L8 I9 V10 N14L8-G12 PolarHBondContact O-N 3.21Å; L8-G12 VanDerWaalsContact O-N 3.11Å; I9-G12 PolarHBondContact O-N 2.9Å; V10-G12 VanDerWaalsContact C-N 3.27Å; G12-N14 PolarHBondContact O-N 2.96Å
13S31.4Very low39.3Very low81 Ų81115.8 Ų115.857%0.56661%0.612SS**  trans-58125.6166.842.80000109.3V10 L11 Y15V10-S13 PolarHBondContact O-N 2.87Å; V10-S13 PolarHBondContact O-OG 2.78Å; L11-S13 PolarHBondContact O-N 2.87Å; S13-Y15 PolarHBondContact O-N 3.33Å; S13-Y15 VanDerWaalsContact O-N 3.17Å
14N31.4Very low40.8Very low146 Ų146111.8 Ų111.878%0.78159%0.589SS**  trans-53.2125.1-178.7-68.2-59.6000110.2G12 V16G12-N14 PolarHBondContact O-N 2.96Å; N14-V16 HydrophobicContact CB-CG2 4.08Å; N14-V16 PolarHBondContact O-N 3.47Å
15Y26.2Very low42.7Very low210 Ų210105.4 Ų105.482%0.82456%0.56SS**  trans-66.980157.2-87.4-98.4000107.6S13 I17S13-Y15 PolarHBondContact O-N 3.33Å; S13-Y15 VanDerWaalsContact O-N 3.17Å; Y15-I17 PolarHBondContact O-N 3.18Å
16V27.7Very low44.9Very low120 Ų12099.7 Ų99.773%0.72753%0.53SS*.  trans-66.192.3160.9179.30000105.3N14 S18N14-V16 HydrophobicContact CB-CG2 4.08Å; N14-V16 PolarHBondContact O-N 3.47Å; V16-S18 PolarHBondContact O-N 3.11Å
17I27.3Very low47.1Very low117 Ų11799 Ų9960%0.652%0.518SS*.  trans-57.9108.7170.4-62.9174.1000105.6Y15 T19Y15-I17 PolarHBondContact O-N 3.18Å; I17-T19 HydrophobicContact CG2-CG2 4.09Å; I17-T19 PolarHBondContact O-N 3.39Å
18S27.6Very low49.5Very low84 Ų8492.9 Ų92.959%0.58750%0.497SS*.  trans-73.776.4-177.4179.30000109.3V16 Y20V16-S18 PolarHBondContact O-N 3.11Å; S18-Y20 WeakPolarHBondContact O-CD2 3.26Å; S18-Y20 PolarHBondContact O-N 3.4Å
19T34.4Very low51.7Low63 Ų6393.1 Ų93.139%0.38750%0.504SS..  trans-64.3106.9176.560.80000109I17 G21I17-T19 HydrophobicContact CG2-CG2 4.09Å; I17-T19 PolarHBondContact O-N 3.39Å; T19-G21 PolarHBondContact O-N 3.43Å
20Y37.9Very low53.8Low165 Ų16588.1 Ų88.165%0.64748%0.482SS*.  trans-66.3125.2178.7-77.8-92.3000111.1S18S18-Y20 WeakPolarHBondContact O-CD2 3.26Å; S18-Y20 PolarHBondContact O-N 3.4Å
21G47.8Very low56.1Low28 Ų2886.4 Ų86.429%0.28947%0.469SS..SBendtrans122.7-178.6174.700000113.9T19 S113T19-G21 PolarHBondContact O-N 3.43Å; G21-S113 WeakPolarHBondContact CA-OG 3.5Å
22P59Low58.8Low21 Ų2180.9 Ų80.914%0.13644%0.44CS..  trans-53.4142.2174.4-26.133.1000112.4F98 E109 A110 S113P22-F98 HydrophobicContact CB-CD1 3.85Å; P22-F98 HydrophobicContact CB-CE1 3.99Å; P22-F98 HydrophobicContact CG-CD1 3.85Å; P22-F98 HydrophobicContact CG-CE1 4Å; P22-F98 HydrophobicContact CG-CG 4.47Å; P22-E109 HydrophobicContact CG-CG 4.07Å; P22-A110 HydrophobicContact CG-CB 4.44Å; P22-S113 WeakPolarHBondContact CD-OG 3.45Å
23H62.6Low61.6Low164 Ų16478.7 Ų78.776%0.75942%0.416SS*.SBendtrans-65.1-51.5-179.6-72.1-62.8000112.2
24Q76.9Confident64.7Low76 Ų7674.8 Ų74.836%0.35539%0.389SS..SBendtrans-81.2122.6-178.3-162-176.59.900111.4E346 F347 E350Q24-E346 VanDerWaalsContact CA-OE2 3.23Å; Q24-E346 WeakPolarHBondContact CA-OE2 3.46Å; Q24-E346 HydrophobicContact CG-CB 4.14Å; Q24-F347 HydrophobicContact CB-CE1 4.33Å; Q24-F347 VanDerWaalsContact CD-CE1 3.41Å; Q24-F347 HydrophobicContact CG-CD1 3.97Å; Q24-F347 HydrophobicContact CG-CE1 3.59Å; Q24-F347 HydrophobicContact CG-CZ 4.04Å; Q24-F347 VanDerWaalsContact NE2-CD1 3.33Å; Q24-E350 PolarHBondContact NE2-OE2 2.9Å
25R85.1Confident67.8Low36 Ų3667.9 Ų67.914%0.13635%0.352CS..  trans-156.6167.5179.864.4-174.4-171.3-95.5-1.4113.8I97 F98 E346R25-I97 WeakPolarHBondContact CA-O 3.31Å; R25-I97 WeakPolarHBondContact CB-O 3.36Å; R25-F98 HydrophobicContact CB-CD1 3.74Å; R25-F98 HydrophobicContact CB-CE1 3.74Å; R25-F98 HydrophobicContact CG-CE1 4.37Å; R25-E346 PolarHBondContact N-OE2 2.92Å; R25-E346 WeakPolarHBondContact O-CB 3.09Å; R25-E346 WeakPolarHBondContact O-CG 3.33Å; R25-E346 PolarHBondContact O-N 2.85Å
26A89.3Confident71.1Confident0 Ų057.9 Ų57.90%031%0.312CS..EExtended strand (participates in β ladder)trans-109.5133.9161.900000109.8Y95 I97 H344 N345 F347A26-Y95 HydrophobicContact CB-CE2 4.26Å; A26-I97 HydrophobicContact CB-CB 4.29Å; A26-I97 PolarHBondContact N-O 3.21Å; A26-I97 PolarHBondContact O-N 2.9Å; A26-H344 WeakPolarHBondContact CA-O 3.36Å; A26-N345 HydrophobicContact CB-CB 3.92Å; A26-F347 HydrophobicContact CB-CD2 4.48Å
27Q90Very high74.4Confident65 Ų6552.1 Ų52.130%0.30428%0.278SS..EExtended strand (participates in β ladder)trans-142.6133.2-171.9176.6176.6-28.400112.4Y95 R96 H344Q27-Y95 WeakPolarHBondContact CA-O 3.48Å; Q27-R96 HydrophobicContact CG-CG 4.3Å; Q27-H344 PolarHBondContact N-O 2.81Å
28M90.8Very high77.8Confident52 Ų5246.6 Ų46.626%0.25625%0.249SC..EExtended strand (participates in β ladder)trans-135.6137.9166.8-170.4178.575.700109.7L33 I78 L93 G94 Y95M28-L33 WeakPolarHBondContact O-CD2 3.46Å; M28-I78 HydrophobicContact CE-CG2 3.7Å; M28-L93 WeakPolarHBondContact CE-O 3.34Å; M28-G94 CarbonylContact O-C 3.57Å; M28-G94 WeakPolarHBondContact O-CA 3.43Å; M28-Y95 HydrophobicContact CB-CD1 3.85Å; M28-Y95 HydrophobicContact CB-CD2 4.25Å; M28-Y95 HydrophobicContact CB-CE1 3.49Å; M28-Y95 VanDerWaalsContact CB-CE1 3.49Å; M28-Y95 HydrophobicContact CB-CE2 3.93Å; M28-Y95 HydrophobicContact CB-CG 4.22Å; M28-Y95 HydrophobicContact CE-CD1 4.09Å; M28-Y95 HydrophobicContact CE-CE1 3.86Å; M28-Y95 HydrophobicContact CG-CE1 4.34Å; M28-Y95 PolarHBondContact N-O 3.46Å; M28-Y95 PolarHBondContact O-N 3.49Å; M28-Y95 HydrophobicContact SD-CE1 4Å
29T88.3Confident81Confident116 Ų11642.8 Ų42.871%0.71222%0.222SC*.  trans-78.4157.6175.745.20000111.9
30G88.6Confident83.8Confident18 Ų1839.8 Ų39.819%0.18620%0.204CC..  trans-176.6171.6175.100000110.9I32 T92G30-I32 PolarHBondContact O-N 2.86Å; G30-T92 CarbonylContact C-O 3.56Å; G30-T92 VanDerWaalsContact CA-OG1 3.27Å; G30-T92 WeakPolarHBondContact CA-OG1 3.45Å
31D88.9Confident86.4Confident75 Ų7532 Ų3240%0.40117%0.174SC..SBendtrans-58.3-31175-63.7-96.6000111.9I91 T92 R438D31-I91 HydrophobicContact CB-CG2 4.14Å; D31-T92 PolarHBondContact N-O 3.1Å; D31-T92 PolarHBondContact N-OG1 3.4Å; D31-T92 PolarHBondContact OD2-N 2.89Å; D31-T92 PolarHBondContact OD2-OG1 3.12Å; D31-R438 IonicContact OD1-NH1 2.72Å; D31-R438 PolarHBondContact OD1-NH1 3.38Å
32I91.4Very high88.3Confident7 Ų731.9 Ų31.94%0.03617%0.165CC..EExtended strand (participates in β ladder)trans-134.2125.8-176.6-62.3-179.5000109.3G30 I91 T92 L93 G94 I139 L416 I437 I440G30-I32 PolarHBondContact O-N 2.86Å; I32-I91 HydrophobicContact CD1-CG2 3.76Å; I32-I91 HydrophobicContact CG1-CG2 4.19Å; I32-T92 PolarHBondContact N-O 3.45Å; I32-T92 VanDerWaalsContact N-O 3.12Å; I32-L93 HydrophobicContact CB-CD2 3.97Å; I32-L93 HydrophobicContact CG2-CD2 4.1Å; I32-G94 PolarHBondContact O-N 3.31Å; I32-I139 HydrophobicContact CG2-CD1 3.26Å; I32-I139 HydrophobicContact CG2-CG1 3.53Å; I32-I139 HydrophobicContact CG2-CG2 4.37Å; I32-L416 HydrophobicContact CD1-CD1 4.2Å; I32-L416 HydrophobicContact CD1-CD2 4.26Å; I32-L416 HydrophobicContact CG2-CD1 4.23Å; I32-I437 HydrophobicContact CD1-CD1 4.36Å; I32-I437 HydrophobicContact CD1-CG1 3.89Å; I32-I440 HydrophobicContact CD1-CG2 4.36Å
33L91.7Very high89.7Confident8 Ų831 Ų314%0.04216%0.16CC..EExtended strand (participates in β ladder)trans-100.2129.7-179.9-72.6-173.2000113.8M28 R96 I135 P136 I139M28-L33 WeakPolarHBondContact O-CD2 3.46Å; L33-R96 HydrophobicContact CD1-CG 4.44Å; L33-I135 HydrophobicContact CD1-CG2 4.17Å; L33-P136 HydrophobicContact CB-CB 4.45Å; L33-P136 HydrophobicContact CD1-CB 4.15Å; L33-P136 HydrophobicContact CD1-CG 4.25Å; L33-P136 HydrophobicContact CG-CB 4.02Å; L33-P136 HydrophobicContact CG-CG 4.19Å; L33-I139 WeakPolarHBondContact O-CG1 3.22Å; L33-I139 PolarHBondContact O-N 3.43Å; L33-I139 VanDerWaalsContact O-N 3.12Å
34L95.9Very high90.7Very high0 Ų024.6 Ų24.60%013%0.133CC..EExtended strand (participates in β ladder)trans-102.2135.2171.8-54.5-172.8000111.4M74 I78 L93 G94 Y95 R96 I139 A140 V409 I412L34-M74 HydrophobicContact CB-CE 3.82Å; L34-I78 HydrophobicContact CD1-CD1 4.1Å; L34-I78 HydrophobicContact CD1-CG1 4.39Å; L34-L93 HydrophobicContact CD1-CD1 4.42Å; L34-G94 PolarHBondContact N-O 3.27Å; L34-Y95 CarbonylContact O-C 3.53Å; L34-Y95 VanDerWaalsContact O-CA 3.23Å; L34-Y95 WeakPolarHBondContact O-CA 3.29Å; L34-R96 PolarHBondContact O-N 3.12Å; L34-I139 HydrophobicContact CD2-CD1 3.88Å; L34-I139 HydrophobicContact CD2-CG1 3.84Å; L34-A140 HydrophobicContact CD2-CB 4.26Å; L34-V409 HydrophobicContact CD1-CG1 4.42Å; L34-I412 HydrophobicContact CD1-CG2 4.48Å; L34-I412 HydrophobicContact CD2-CG2 3.84Å
35G95.6Very high90.8Very high0 Ų022.6 Ų22.60%013%0.129CC..EExtended strand (participates in β ladder)trans-85143.4172.100000111.2R96 A140 V141 V142G35-R96 CarbonylContact C-O 3.14Å; G35-R96 WeakPolarHBondContact CA-O 3.38Å; G35-A140 PolarHBondContact N-O 3.05Å; G35-V141 CarbonylContact O-C 3.59Å; G35-V141 WeakPolarHBondContact O-CA 3.49Å; G35-V142 PolarHBondContact O-N 2.86Å
36G96.9Very high90Very high0 Ų026.7 Ų26.70%016%0.163CC..EExtended strand (participates in β ladder)trans-127.4138.5172.700000112.4R96 I97 F98G36-R96 PolarHBondContact N-O 3.38Å; G36-I97 WeakPolarHBondContact O-CA 3.25Å; G36-F98 PolarHBondContact O-N 3.01Å
37L97.6Very high88.8Confident0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-130.1108.6176.6-67.4176.1000109.6F98 T100 A110 F114 V141 V142 A144 V153 Y167L37-F98 HydrophobicContact CD2-CB 4.46Å; L37-T100 HydrophobicContact CB-CG2 3.77Å; L37-T100 HydrophobicContact CD2-CG2 4.17Å; L37-T100 HydrophobicContact CG-CG2 4.48Å; L37-A110 HydrophobicContact CD2-CB 3.62Å; L37-F114 HydrophobicContact CD1-CE2 4.32Å; L37-F114 HydrophobicContact CD2-CE2 3.9Å; L37-F114 HydrophobicContact CD2-CZ 4.31Å; L37-F114 HydrophobicContact CG-CE2 3.96Å; L37-V141 HydrophobicContact CD1-CG1 3.87Å; L37-V141 HydrophobicContact CG-CG1 4.02Å; L37-V142 PolarHBondContact N-O 2.87Å; L37-A144 HydrophobicContact CB-CB 4.12Å; L37-A144 HydrophobicContact CD1-CB 4.49Å; L37-V153 HydrophobicContact CD1-CB 4.5Å; L37-V153 HydrophobicContact CD1-CG1 3.73Å; L37-V153 HydrophobicContact CD1-CG2 3.98Å; L37-Y167 PolarHBondContact O-OH 3.41Å
38F97.1Very high87.3Confident0 Ų037.4 Ų37.40%022%0.216CC..EExtended strand (participates in β ladder)trans-131.6141.3-176.9-63.6-94.7000110.9M40 W70 L71 M74 I97 F98 D99 T100 V142 Y167 A405F38-M40 PolarHBondContact O-N 3.11Å; F38-W70 HydrophobicContact CD1-CB 3.69Å; F38-W70 VanDerWaalsContact CE1-C 3.42Å; F38-W70 HydrophobicContact CE1-CB 3.87Å; F38-W70 WeakPolarHBondContact CE1-O 3.08Å; F38-L71 HydrophobicContact CB-CB 4.3Å; F38-L71 HydrophobicContact CD1-CB 4.32Å; F38-L71 HydrophobicContact CD2-CB 4.19Å; F38-L71 HydrophobicContact CG-CB 4.01Å; F38-M74 HydrophobicContact CE2-CB 4.31Å; F38-M74 HydrophobicContact CE2-SD 3.68Å; F38-M74 HydrophobicContact CZ-CB 3.84Å; F38-M74 HydrophobicContact CZ-SD 3.92Å; F38-I97 HydrophobicContact CD2-CG2 3.53Å; F38-I97 HydrophobicContact CE2-CG2 3.97Å; F38-F98 PolarHBondContact N-O 3.36Å; F38-D99 WeakPolarHBondContact O-CA 3.43Å; F38-D99 VanDerWaalsContact O-OD1 3.07Å; F38-T100 PolarHBondContact O-N 3.36Å; F38-V142 HydrophobicContact CZ-CG1 4.11Å; F38-Y167 WeakPolarHBondContact CA-OH 3.45Å; F38-Y167 AromaticContact CD1-CE1 3.77Å; F38-Y167 HydrophobicContact CD1-CE1 3.77Å; F38-Y167 HydrophobicContact CD1-CE2 4.31Å; F38-Y167 AromaticContact CD1-CZ 3.48Å; F38-Y167 VanDerWaalsContact CD1-CZ 3.48Å; F38-Y167 WeakPolarHBondContact CD1-OH 3.47Å; F38-Y167 HydrophobicContact CE1-CD1 4.1Å; F38-Y167 AromaticContact CE1-CE1 3.35Å; F38-Y167 HydrophobicContact CE1-CE1 3.35Å; F38-Y167 HydrophobicContact CE1-CE2 4.35Å; F38-Y167 AromaticContact CE1-CZ 3.53Å; F38-Y167 HydrophobicContact CZ-CD1 4.49Å; F38-Y167 AromaticContact CZ-CE1 3.83Å; F38-Y167 HydrophobicContact CZ-CE1 3.83Å; F38-A405 HydrophobicContact CE1-CB 4.36Å
39P94.9Very high85.9Confident4 Ų440.4 Ų40.43%0.02623%0.23CC..  trans-81.183.5174.933.5-33.8000109.4H41 N64 W70 T100 N102 A145P39-H41 PolarHBondContact O-N 3.26Å; P39-N64 WeakPolarHBondContact O-CB 3.49Å; P39-N64 PolarHBondContact O-ND2 3.37Å; P39-W70 HydrophobicContact CG-CE3 4.22Å; P39-W70 HydrophobicContact CG-CZ3 3.77Å; P39-T100 WeakPolarHBondContact CA-OG1 3.43Å; P39-N102 HydrophobicContact CB-CB 4.25Å; P39-A145 HydrophobicContact CG-CB 3.77Å
40M93.8Very high84.7Confident0 Ų040 Ų400%022%0.223CC..SBendtrans-68-24.3171.8-57.6-71.4-60.500111.2F38 F63 N64 F68 L71 D99 F347F38-M40 PolarHBondContact O-N 3.11Å; M40-F63 HydrophobicContact CE-CE2 3.87Å; M40-F63 HydrophobicContact CE-CZ 3.9Å; M40-N64 VanDerWaalsContact O-CB 3.31Å; M40-N64 WeakPolarHBondContact O-CB 3.47Å; M40-N64 PolarHBondContact O-N 3.06Å; M40-F68 HydrophobicContact CE-CB 3.78Å; M40-F68 HydrophobicContact CE-CD2 3.33Å; M40-F68 HydrophobicContact CE-CE2 4.1Å; M40-F68 HydrophobicContact CE-CG 3.84Å; M40-F68 HydrophobicContact SD-CB 4.1Å; M40-F68 HydrophobicContact SD-CD2 3.96Å; M40-L71 HydrophobicContact CE-CD1 4.45Å; M40-L71 HydrophobicContact CG-CD1 4.47Å; M40-L71 HydrophobicContact SD-CB 4.12Å; M40-L71 HydrophobicContact SD-CD1 3.6Å; M40-L71 HydrophobicContact SD-CG 4.46Å; M40-D99 HydrophobicContact CB-CB 4.08Å; M40-D99 VanDerWaalsContact CB-CG 3.45Å; M40-D99 WeakPolarHBondContact CB-OD1 3.47Å; M40-D99 HydrophobicContact CG-CB 4.04Å; M40-D99 PolarHBondContact N-OD1 3.28Å; M40-F347 HydrophobicContact CB-CD1 4.45Å; M40-F347 HydrophobicContact CE-CB 3.4Å; M40-F347 HydrophobicContact CE-CD1 3.94Å; M40-F347 HydrophobicContact CE-CD2 4.19Å; M40-F347 HydrophobicContact CE-CG 3.59Å; M40-F347 HydrophobicContact CG-CD1 4.23Å; M40-F347 HydrophobicContact CG-CE1 4.26Å; M40-F347 HydrophobicContact CG-CG 4.42Å; M40-F347 HydrophobicContact CG-CZ 4.46Å
41H92.8Very high83.7Confident3 Ų347.2 Ų47.21%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-121.3152172.7-71.798.2000111.7P39 C60 V61 R62 F63 D99 C101 N102 E350P39-H41 PolarHBondContact O-N 3.26Å; H41-C60 HydrophobicContact CB-CB 3.78Å; H41-V61 WeakPolarHBondContact CB-O 3.28Å; H41-V61 VanDerWaalsContact CD2-C 3.44Å; H41-R62 WeakPolarHBondContact CA-O 3.28Å; H41-F63 AromaticContact NE2-CD2 3.72Å; H41-D99 IonicContact CE1-OD2 3.5Å; H41-D99 IonicContact CG-OD2 2.62Å; H41-D99 PolarHBondContact N-OD1 2.62Å; H41-D99 PolarHBondContact N-OD2 3.08Å; H41-D99 IonicContact ND1-OD2 3.33Å; H41-D99 PolarHBondContact ND1-OD2 3.2Å; H41-C101 HydrophobicContact CB-CB 4.1Å; H41-C101 CarbonylContact O-C 3.5Å; H41-C101 WeakPolarHBondContact O-CA 3.48Å; H41-N102 PolarHBondContact O-N 2.86Å; H41-E350 IonicContact CE1-OE1 2.72Å; H41-E350 IonicContact CE1-OE2 3.17Å; H41-E350 PolarHBondContact CE1-OE2 3.39Å; H41-E350 IonicContact NE2-OE1 2.72Å; H41-E350 PolarHBondContact NE2-OE1 2.94Å; H41-E350 IonicContact NE2-OE2 3.64Å
42F88.2Confident82.8Confident25 Ų2548.1 Ų48.111%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-84.2-16.5176.9-67.8-65.1000113.9V61 R62 N64 N102 Q245 P274 L304F42-V61 PolarHBondContact N-O 3.34Å; F42-R62 HydrophobicContact CB-CB 4.32Å; F42-R62 HydrophobicContact CD2-CB 4.25Å; F42-R62 WeakPolarHBondContact CD2-O 3.45Å; F42-R62 PolarHBondContact N-O 3.38Å; F42-R62 VanDerWaalsContact N-O 3.13Å; F42-N64 HydrophobicContact CD1-CB 4.37Å; F42-N64 HydrophobicContact CD2-CB 4.04Å; F42-N64 HydrophobicContact CE1-CB 3.98Å; F42-N64 VanDerWaalsContact CE1-CG 3.46Å; F42-N64 WeakPolarHBondContact CE1-ND2 3.43Å; F42-N64 HydrophobicContact CE2-CB 3.59Å; F42-N64 HydrophobicContact CG-CB 4.42Å; F42-N64 HydrophobicContact CZ-CB 3.58Å; F42-N64 WeakPolarHBondContact CZ-OD1 3.36Å; F42-N102 WeakPolarHBondContact O-CB 3.42Å; F42-Q245 PolarHBondContact O-NE2 3.36Å; F42-Q245 PolarHBondContact O-OE1 2.83Å; F42-P274 HydrophobicContact CB-CG 4.27Å; F42-P274 HydrophobicContact CD1-CG 3.58Å; F42-P274 HydrophobicContact CE1-CG 4.28Å; F42-P274 HydrophobicContact CG-CG 4.24Å; F42-L304 HydrophobicContact CD1-CD1 4.1Å; F42-L304 HydrophobicContact CD2-CD1 4.4Å; F42-L304 HydrophobicContact CD2-CD2 4.32Å; F42-L304 HydrophobicContact CE1-CD1 3.77Å; F42-L304 HydrophobicContact CE1-CG 4.41Å; F42-L304 HydrophobicContact CE2-CD1 4.1Å; F42-L304 HydrophobicContact CE2-CD2 3.77Å; F42-L304 HydrophobicContact CE2-CG 4.17Å; F42-L304 HydrophobicContact CG-CD1 4.39Å; F42-L304 HydrophobicContact CZ-CD1 3.75Å; F42-L304 HydrophobicContact CZ-CD2 4.04Å; F42-L304 HydrophobicContact CZ-CG 3.92Å
43G86.6Confident82Confident3 Ų350.4 Ų50.43%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-165.3-167.1177.400000113.6C60 V61 C101G43-C60 WeakPolarHBondContact O-CA 3.33Å; G43-V61 PolarHBondContact N-O 2.9Å; G43-V61 PolarHBondContact O-N 2.91Å; G43-C101 VanDerWaalsContact CA-O 3.24Å; G43-C101 WeakPolarHBondContact CA-O 3.46Å; G43-C101 PolarHBondContact N-O 3.21Å
44V85.1Confident80.9Confident29 Ų2960.9 Ų60.918%0.17633%0.333CS..EExtended strand (participates in β ladder)trans-121.6151.2175.2-62.50000110.4Q59 C101 T103 K106V44-Q59 CarbonylContact C-O 3.59Å; V44-Q59 VanDerWaalsContact CA-O 3.3Å; V44-Q59 WeakPolarHBondContact CA-O 3.35Å; V44-C101 HydrophobicContact CG1-CB 3.89Å; V44-T103 HydrophobicContact CG1-CG2 4.17Å; V44-T103 HydrophobicContact CG2-CG2 4.28Å; V44-K106 HydrophobicContact CG1-CG 4.16Å
45A78.4Confident79.6Confident33 Ų3365.6 Ų65.627%0.27336%0.364SS..  trans-63.4135.9175.800000110.7K47 Q59 V61A45-K47 PolarHBondContact O-N 3.31Å; A45-Q59 PolarHBondContact N-O 3.29Å; A45-V61 HydrophobicContact CB-CG1 3.84Å
46S68.5Low78.4Confident122 Ų12272 Ų7285%0.85339%0.394SS*.  trans-67.2126.7167-169.10000109.5
47K63.6Low77.2Confident124 Ų12474.8 Ų74.854%0.53941%0.414SS..  trans-132.1122.4170.2-103.5-173.1170.9-179.10105.8A45 Q49 E56A45-K47 PolarHBondContact O-N 3.31Å; K47-Q49 PolarHBondContact O-N 3.36Å; K47-E56 IonicContact NZ-OE2 2.88Å; K47-E56 PolarHBondContact NZ-OE2 3.37Å
48D59.2Low76.3Confident166 Ų16676 Ų7689%0.88842%0.421SS*.  trans-58.9112.9162.6-74.6-46000108.1D50D48-D50 PolarHBondContact O-N 2.95Å
49Q60Low75.6Confident116 Ų11681.9 Ų81.954%0.54245%0.448SS..  trans-79.7106.3178.7-68.8-166.3-4.100109.3K47 L51K47-Q49 PolarHBondContact O-N 3.36Å; Q49-L51 PolarHBondContact O-N 2.89Å
50D63.3Low75.3Confident108 Ų10882.6 Ų82.658%0.57845%0.453SS*.  trans-60.1109.8164.7179.66.4000109.1D48 A52 A53D48-D50 PolarHBondContact O-N 2.95Å; D50-A52 PolarHBondContact O-N 3.42Å; D50-A52 VanDerWaalsContact O-N 3.14Å; D50-A52 WeakPolarHBondContact OD1-CB 3.45Å; D50-A52 PolarHBondContact OD1-N 3.41Å; D50-A53 HydrophobicContact CB-CB 4.22Å; D50-A53 WeakPolarHBondContact O-CB 3.29Å; D50-A53 PolarHBondContact O-N 2.78Å
51L67.6Low75Confident169 Ų16984.9 Ų84.989%0.88547%0.467SS*.THydrogen-bonded Turntrans-66.6-9.8-179.7-63.6172.9000113.2Q49Q49-L51 PolarHBondContact O-N 2.89Å
52A71.2Confident74.8Confident93 Ų9389.8 Ų89.877%0.76949%0.486SS*.THydrogen-bonded Turntrans-85.3-17.3169.800000113.3D50D50-A52 PolarHBondContact O-N 3.42Å; D50-A52 VanDerWaalsContact O-N 3.14Å; D50-A52 WeakPolarHBondContact OD1-CB 3.45Å; D50-A52 PolarHBondContact OD1-N 3.41Å
53A73.6Confident74.9Confident55 Ų5589.6 Ų89.646%0.45549%0.485SS..SBendtrans-88162.5177.900000112.1D50 P55D50-A53 HydrophobicContact CB-CB 4.22Å; D50-A53 WeakPolarHBondContact O-CB 3.29Å; D50-A53 PolarHBondContact O-N 2.78Å; A53-P55 WeakPolarHBondContact O-CD 3.4Å
54R68.4Low75.2Confident228 Ų22889.7 Ų89.786%0.8649%0.485SS*.PPolyproline II helixtrans-72128.2166.9178177.6175.8169.9-1.3108.3E56R54-E56 PolarHBondContact O-N 3.05Å
55P68.3Low75.6Confident99 Ų9990.4 Ų90.464%0.64349%0.485SS*.PPolyproline II helixtrans-58.2125175.5-26.235.3000112A53A53-P55 WeakPolarHBondContact O-CD 3.4Å
56E70.9Confident76.2Confident134 Ų13489.7 Ų89.763%0.62648%0.475SS*.PPolyproline II helixtrans-90.7151.6170.1-61.8-176.4143.200110.1K47 R54 T58K47-E56 IonicContact NZ-OE2 2.88Å; K47-E56 PolarHBondContact NZ-OE2 3.37Å; R54-E56 PolarHBondContact O-N 3.05Å; E56-T58 PolarHBondContact O-N 3.19Å
57S72.5Confident77.4Confident60 Ų6083.9 Ų83.942%0.4244%0.435SS..PPolyproline II helixtrans-68.3129.3169.2-172.70000109.3K106 E109S57-K106 WeakPolarHBondContact OG-CE 3.24Å; S57-K106 PolarHBondContact OG-NZ 2.92Å; S57-E109 WeakPolarHBondContact CB-OE2 3.39Å; S57-E109 PolarHBondContact OG-OE1 3.1Å; S57-E109 PolarHBondContact OG-OE2 2.66Å
58T78.4Confident78.9Confident26 Ų2678 Ų7816%0.1641%0.409CS..PPolyproline II helixtrans-66.1150.1-174.445.90000112.1E56 K106E56-T58 PolarHBondContact O-N 3.19Å; T58-K106 WeakPolarHBondContact O-CE 3.32Å; T58-K106 PolarHBondContact O-NZ 3.11Å
59Q82.4Confident80.6Confident122 Ų12270.1 Ų70.157%0.5737%0.367SS*.PPolyproline II helixtrans-74.7141.7173.2-171.2171.2-3.500110V44 A45V44-Q59 CarbonylContact C-O 3.59Å; V44-Q59 VanDerWaalsContact CA-O 3.3Å; V44-Q59 WeakPolarHBondContact CA-O 3.35Å; A45-Q59 PolarHBondContact N-O 3.29Å
60C88.2Confident82.2Confident19 Ų1965.8 Ų65.813%0.12835%0.346CS..EExtended strand (participates in β ladder)trans-87.8149.8176.4-58.50000110.8H41 G43 C101 K106H41-C60 HydrophobicContact CB-CB 3.78Å; G43-C60 WeakPolarHBondContact O-CA 3.33Å; C60-C101 HydrophobicContact CB-CB 3.64Å; C60-C101 WeakPolarHBondContact CB-SG 3.45Å; C60-C101 WeakPolarHBondContact SG-CB 3.39Å; C60-C101 CovalentContact SG-SG 2.02Å; C60-C101 PolarHBondContact SG-SG 3.37Å; C60-K106 WeakPolarHBondContact SG-CE 3.27Å
61V87.7Confident83.8Confident48 Ų4860.7 Ų60.729%0.29132%0.318SS..EExtended strand (participates in β ladder)trans-143.9156.6-169-62.80000112.4H41 F42 G43 A45H41-V61 WeakPolarHBondContact CB-O 3.28Å; H41-V61 VanDerWaalsContact CD2-C 3.44Å; F42-V61 PolarHBondContact N-O 3.34Å; G43-V61 PolarHBondContact N-O 2.9Å; G43-V61 PolarHBondContact O-N 2.91Å; A45-V61 HydrophobicContact CB-CG1 3.84Å
62R87.8Confident85.1Confident107 Ų10752.9 Ų52.940%0.40428%0.277SS..EExtended strand (participates in β ladder)trans64.385.9-178.1-50.1171.360.3-159.5-4.6111.8H41 F42 E277H41-R62 WeakPolarHBondContact CA-O 3.28Å; F42-R62 HydrophobicContact CB-CB 4.32Å; F42-R62 HydrophobicContact CD2-CB 4.25Å; F42-R62 WeakPolarHBondContact CD2-O 3.45Å; F42-R62 PolarHBondContact N-O 3.38Å; F42-R62 VanDerWaalsContact N-O 3.13Å; R62-E277 IonicContact CZ-OE2 3.8Å; R62-E277 IonicContact NH1-OE2 3.51Å; R62-E277 IonicContact NH2-OE1 3.4Å; R62-E277 PolarHBondContact NH2-OE1 2.83Å; R62-E277 IonicContact NH2-OE2 3.38Å; R62-E277 PolarHBondContact NH2-OE2 3.48Å
63F91.5Very high86.3Confident21 Ų2148.4 Ų48.49%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-59.3138.9-176.6-169.2-92.7000112.3M40 H41 F65 F68 E350 F351 E354M40-F63 HydrophobicContact CE-CE2 3.87Å; M40-F63 HydrophobicContact CE-CZ 3.9Å; H41-F63 AromaticContact NE2-CD2 3.72Å; F63-F65 HydrophobicContact CD1-CD1 4.07Å; F63-F65 HydrophobicContact CD1-CD2 4.49Å; F63-F65 HydrophobicContact CD1-CE1 4.09Å; F63-F65 HydrophobicContact CD1-CG 4.27Å; F63-F65 HydrophobicContact CD1-CZ 4.32Å; F63-F65 AromaticContact CE1-CD1 3.96Å; F63-F65 HydrophobicContact CE1-CD1 3.96Å; F63-F65 HydrophobicContact CE1-CE1 4.22Å; F63-F65 HydrophobicContact CE1-CG 4.41Å; F63-F68 HydrophobicContact CE1-CB 4.25Å; F63-F68 HydrophobicContact CZ-CB 3.97Å; F63-F68 HydrophobicContact CZ-CD1 4.39Å; F63-F68 HydrophobicContact CZ-CG 4.18Å; F63-E350 HydrophobicContact CD2-CG 3.85Å; F63-E350 HydrophobicContact CE2-CG 4.21Å; F63-F351 HydrophobicContact CE1-CB 4.14Å; F63-F351 HydrophobicContact CE1-CD2 4.07Å; F63-F351 HydrophobicContact CE2-CB 4.48Å; F63-F351 HydrophobicContact CZ-CB 3.73Å; F63-F351 HydrophobicContact CZ-CD2 4.4Å; F63-E354 HydrophobicContact CB-CG 4.25Å
64N92.9Very high87.4Confident5 Ų545.8 Ų45.83%0.02722%0.219CC..  trans-113.391.9-175178.79.7000111P39 M40 F42 R66 G67 F68P39-N64 WeakPolarHBondContact O-CB 3.49Å; P39-N64 PolarHBondContact O-ND2 3.37Å; M40-N64 VanDerWaalsContact O-CB 3.31Å; M40-N64 WeakPolarHBondContact O-CB 3.47Å; M40-N64 PolarHBondContact O-N 3.06Å; F42-N64 HydrophobicContact CD1-CB 4.37Å; F42-N64 HydrophobicContact CD2-CB 4.04Å; F42-N64 HydrophobicContact CE1-CB 3.98Å; F42-N64 VanDerWaalsContact CE1-CG 3.46Å; F42-N64 WeakPolarHBondContact CE1-ND2 3.43Å; F42-N64 HydrophobicContact CE2-CB 3.59Å; F42-N64 HydrophobicContact CG-CB 4.42Å; F42-N64 HydrophobicContact CZ-CB 3.58Å; F42-N64 WeakPolarHBondContact CZ-OD1 3.36Å; N64-R66 PolarHBondContact O-N 3.25Å; N64-R66 VanDerWaalsContact O-N 3.15Å; N64-R66 PolarHBondContact OD1-N 3.03Å; N64-R66 VanDerWaalsContact OD1-N 3.15Å; N64-G67 WeakPolarHBondContact ND2-CA 3.35Å; N64-G67 PolarHBondContact ND2-N 3.47Å; N64-G67 WeakPolarHBondContact O-CA 3.45Å; N64-G67 PolarHBondContact O-N 3.41Å; N64-G67 PolarHBondContact OD1-N 2.73Å; N64-F68 PolarHBondContact O-N 3.23Å
65F92.9Very high88.7Confident43 Ų4335 Ų3519%0.18918%0.178CC..Hα-helixtrans-51.8-34.8175.6-65.9-74.7000114.3F63 R69 F351 E354 P392F63-F65 HydrophobicContact CD1-CD1 4.07Å; F63-F65 HydrophobicContact CD1-CD2 4.49Å; F63-F65 HydrophobicContact CD1-CE1 4.09Å; F63-F65 HydrophobicContact CD1-CG 4.27Å; F63-F65 HydrophobicContact CD1-CZ 4.32Å; F63-F65 AromaticContact CE1-CD1 3.96Å; F63-F65 HydrophobicContact CE1-CD1 3.96Å; F63-F65 HydrophobicContact CE1-CE1 4.22Å; F63-F65 HydrophobicContact CE1-CG 4.41Å; F65-R69 PolarHBondContact O-N 3.43Å; F65-R69 VanDerWaalsContact O-N 3.11Å; F65-F351 AromaticContact CD1-CD2 3.99Å; F65-F351 HydrophobicContact CD1-CD2 3.99Å; F65-F351 HydrophobicContact CD1-CE2 4.01Å; F65-F351 HydrophobicContact CE1-CD2 4.09Å; F65-F351 HydrophobicContact CE1-CE2 4.25Å; F65-E354 HydrophobicContact CZ-CB 4.04Å; F65-P392 HydrophobicContact CB-CB 4.06Å; F65-P392 HydrophobicContact CB-CG 4.42Å
66R91.8Very high90.1Very high18 Ų1831.3 Ų31.37%0.06815%0.152CC..Hα-helixtrans-75.3-37.9175.3-66.7-174.785.1-153.120.1111.8N64 F68 R69 W70 S301 S303 P392N64-R66 PolarHBondContact O-N 3.25Å; N64-R66 VanDerWaalsContact O-N 3.15Å; N64-R66 PolarHBondContact OD1-N 3.03Å; N64-R66 VanDerWaalsContact OD1-N 3.15Å; R66-F68 VanDerWaalsContact C-N 3.32Å; R66-F68 PolarHBondContact O-N 2.75Å; R66-R69 CarbonylContact O-C 3.52Å; R66-R69 WeakPolarHBondContact O-CA 3.48Å; R66-R69 WeakPolarHBondContact O-CB 3.44Å; R66-R69 PolarHBondContact O-N 3.16Å; R66-R69 VanDerWaalsContact O-N 3.12Å; R66-W70 HydrophobicContact CB-CZ2 4.02Å; R66-W70 PolarHBondContact O-N 2.81Å; R66-W70 PolarHBondContact O-NE1 3.2Å; R66-S301 PolarHBondContact NH1-O 3.38Å; R66-S301 PolarHBondContact NH1-OG 3.48Å; R66-S301 PolarHBondContact NH2-O 3.1Å; R66-S301 PolarHBondContact NH2-OG 3.06Å; R66-S303 VanDerWaalsContact CD-OG 3.26Å; R66-S303 WeakPolarHBondContact CD-OG 3.43Å; R66-P392 HydrophobicContact CG-CB 3.91Å
67G93Very high91.3Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-57.3-44.8172.700000112.1N64 R69 W70 L71N64-G67 WeakPolarHBondContact ND2-CA 3.35Å; N64-G67 PolarHBondContact ND2-N 3.47Å; N64-G67 WeakPolarHBondContact O-CA 3.45Å; N64-G67 PolarHBondContact O-N 3.41Å; N64-G67 PolarHBondContact OD1-N 2.73Å; G67-R69 PolarHBondContact O-N 2.87Å; G67-W70 WeakPolarHBondContact O-CB 3.37Å; G67-W70 PolarHBondContact O-N 3.5Å; G67-W70 VanDerWaalsContact O-N 3.12Å; G67-L71 PolarHBondContact O-N 3.36Å
68F94.8Very high92.4Very high0 Ų022.1 Ų22.10%010%0.103CC..Hα-helixtrans-63.7-39.8172.8-171.2-136.1000112.6M40 F63 N64 R66 W70 L71 Q72 F347 V348 F351 Y393M40-F68 HydrophobicContact CE-CB 3.78Å; M40-F68 HydrophobicContact CE-CD2 3.33Å; M40-F68 HydrophobicContact CE-CE2 4.1Å; M40-F68 HydrophobicContact CE-CG 3.84Å; M40-F68 HydrophobicContact SD-CB 4.1Å; M40-F68 HydrophobicContact SD-CD2 3.96Å; F63-F68 HydrophobicContact CE1-CB 4.25Å; F63-F68 HydrophobicContact CZ-CB 3.97Å; F63-F68 HydrophobicContact CZ-CD1 4.39Å; F63-F68 HydrophobicContact CZ-CG 4.18Å; N64-F68 PolarHBondContact O-N 3.23Å; R66-F68 VanDerWaalsContact C-N 3.32Å; R66-F68 PolarHBondContact O-N 2.75Å; F68-W70 PolarHBondContact O-N 3.4Å; F68-L71 HydrophobicContact CD2-CD2 4.06Å; F68-L71 HydrophobicContact CE2-CD2 4.03Å; F68-L71 WeakPolarHBondContact O-CB 3.39Å; F68-L71 PolarHBondContact O-N 2.85Å; F68-Q72 HydrophobicContact CD2-CG 4.23Å; F68-Q72 HydrophobicContact CE1-CG 4.41Å; F68-Q72 HydrophobicContact CE2-CG 4.13Å; F68-Q72 HydrophobicContact CZ-CG 4.23Å; F68-Q72 WeakPolarHBondContact O-CG 3.35Å; F68-Q72 PolarHBondContact O-N 3.31Å; F68-F347 HydrophobicContact CE2-CB 4.35Å; F68-V348 HydrophobicContact CZ-CG2 3.93Å; F68-F351 HydrophobicContact CD1-CB 3.97Å; F68-F351 HydrophobicContact CD1-CD1 4.22Å; F68-F351 AromaticContact CD1-CD2 3.51Å; F68-F351 HydrophobicContact CD1-CD2 3.51Å; F68-F351 HydrophobicContact CD1-CE2 4.03Å; F68-F351 AromaticContact CD1-CG 3.61Å; F68-F351 HydrophobicContact CD1-CG 3.61Å; F68-F351 HydrophobicContact CE1-CB 3.69Å; F68-F351 AromaticContact CE1-CD1 3.51Å; F68-F351 HydrophobicContact CE1-CD1 3.51Å; F68-F351 AromaticContact CE1-CD2 3.69Å; F68-F351 HydrophobicContact CE1-CD2 3.69Å; F68-F351 HydrophobicContact CE1-CE1 4.02Å; F68-F351 HydrophobicContact CE1-CE2 4.19Å; F68-F351 AromaticContact CE1-CG 3.31Å; F68-F351 HydrophobicContact CE1-CG 3.31Å; F68-F351 HydrophobicContact CE1-CZ 4.34Å; F68-F351 HydrophobicContact CZ-CB 4.24Å; F68-F351 HydrophobicContact CZ-CD1 4.34Å; F68-F351 HydrophobicContact CZ-CG 4.25Å; F68-Y393 HydrophobicContact CB-CD2 4.41Å; F68-Y393 AromaticContact CD1-CD2 3.58Å; F68-Y393 HydrophobicContact CD1-CD2 3.58Å; F68-Y393 AromaticContact CD1-CE2 3.34Å; F68-Y393 HydrophobicContact CD1-CE2 3.34Å; F68-Y393 HydrophobicContact CE1-CD2 4.31Å; F68-Y393 AromaticContact CE1-CE2 3.7Å; F68-Y393 HydrophobicContact CE1-CE2 3.7Å; F68-Y393 HydrophobicContact CG-CD2 4.32Å; F68-Y393 HydrophobicContact CG-CE2 4.13Å
69R94.6Very high93.3Very high1 Ų124.6 Ų24.60%0.00411%0.112CC..Hα-helixtrans-62.6-24.4173-161.2179.785.4-164.627.6113.3F65 R66 G67 A73 F330 L334 P392 Y393 D395 H398 S402F65-R69 PolarHBondContact O-N 3.43Å; F65-R69 VanDerWaalsContact O-N 3.11Å; R66-R69 CarbonylContact O-C 3.52Å; R66-R69 WeakPolarHBondContact O-CA 3.48Å; R66-R69 WeakPolarHBondContact O-CB 3.44Å; R66-R69 PolarHBondContact O-N 3.16Å; R66-R69 VanDerWaalsContact O-N 3.12Å; G67-R69 PolarHBondContact O-N 2.87Å; R69-A73 PolarHBondContact O-N 3.42Å; R69-F330 HydrophobicContact CG-CE1 4.47Å; R69-L334 HydrophobicContact CG-CD1 4.09Å; R69-L334 HydrophobicContact CG-CD2 4.33Å; R69-P392 PolarHBondContact NH1-O 3.43Å; R69-Y393 HydrophobicContact CB-CD2 4.07Å; R69-Y393 WeakPolarHBondContact CD-O 2.88Å; R69-Y393 WeakPolarHBondContact CG-O 3.22Å; R69-D395 IonicContact CZ-OD2 3.5Å; R69-D395 VanDerWaalsContact CZ-OD2 3.27Å; R69-D395 PolarHBondContact NE-O 3.35Å; R69-D395 PolarHBondContact NH1-O 3.22Å; R69-D395 IonicContact NH1-OD2 2.77Å; R69-D395 PolarHBondContact NH1-OD2 3.01Å; R69-D395 PolarHBondContact NH2-O 3.07Å; R69-D395 VanDerWaalsContact NH2-O 3.14Å; R69-D395 IonicContact NH2-OD2 2.69Å; R69-D395 PolarHBondContact NH2-OD2 3.49Å; R69-H398 PolarHBondContact NH2-O 3.25Å; R69-H398 VanDerWaalsContact NH2-O 3.14Å; R69-S402 PolarHBondContact O-OG 3Å
70W94.9Very high93.9Very high26 Ų2621.9 Ų21.910%0.09810%0.1CC..Hα-helixtrans-81.4-40.6173.5-52.4-21000111.4F38 P39 R66 G67 F68 Q72 A73 M74 A145 Y167 I401F38-W70 HydrophobicContact CD1-CB 3.69Å; F38-W70 VanDerWaalsContact CE1-C 3.42Å; F38-W70 HydrophobicContact CE1-CB 3.87Å; F38-W70 WeakPolarHBondContact CE1-O 3.08Å; P39-W70 HydrophobicContact CG-CE3 4.22Å; P39-W70 HydrophobicContact CG-CZ3 3.77Å; R66-W70 HydrophobicContact CB-CZ2 4.02Å; R66-W70 PolarHBondContact O-N 2.81Å; R66-W70 PolarHBondContact O-NE1 3.2Å; G67-W70 WeakPolarHBondContact O-CB 3.37Å; G67-W70 PolarHBondContact O-N 3.5Å; G67-W70 VanDerWaalsContact O-N 3.12Å; F68-W70 PolarHBondContact O-N 3.4Å; W70-Q72 VanDerWaalsContact C-N 3.34Å; W70-Q72 PolarHBondContact O-N 2.94Å; W70-A73 WeakPolarHBondContact O-CB 3.39Å; W70-A73 PolarHBondContact O-N 3.05Å; W70-M74 PolarHBondContact O-N 3.41Å; W70-A145 HydrophobicContact CZ3-CB 4.16Å; W70-Y167 HydrophobicContact CD2-CE2 4.49Å; W70-Y167 AromaticContact CE3-CE2 3.9Å; W70-Y167 HydrophobicContact CE3-CE2 3.9Å; W70-I401 HydrophobicContact CD2-CB 4.43Å; W70-I401 HydrophobicContact CD2-CG2 3.66Å; W70-I401 HydrophobicContact CE3-CG2 4.18Å; W70-I401 HydrophobicContact CG-CG2 3.95Å; W70-I401 HydrophobicContact CH2-CD1 4.11Å; W70-I401 HydrophobicContact CH2-CG2 4.49Å; W70-I401 HydrophobicContact CZ2-CB 4.23Å; W70-I401 HydrophobicContact CZ2-CD1 3.62Å; W70-I401 HydrophobicContact CZ2-CG2 4.02Å
71L95.9Very high94.2Very high0 Ų021 Ų210%09%0.094CC..Hα-helixtrans-57.5-46.9171.1175.4156.4000110.9F38 M40 G67 F68 A73 M74 I75 I97 F347F38-L71 HydrophobicContact CB-CB 4.3Å; F38-L71 HydrophobicContact CD1-CB 4.32Å; F38-L71 HydrophobicContact CD2-CB 4.19Å; F38-L71 HydrophobicContact CG-CB 4.01Å; M40-L71 HydrophobicContact CE-CD1 4.45Å; M40-L71 HydrophobicContact CG-CD1 4.47Å; M40-L71 HydrophobicContact SD-CB 4.12Å; M40-L71 HydrophobicContact SD-CD1 3.6Å; M40-L71 HydrophobicContact SD-CG 4.46Å; G67-L71 PolarHBondContact O-N 3.36Å; F68-L71 HydrophobicContact CD2-CD2 4.06Å; F68-L71 HydrophobicContact CE2-CD2 4.03Å; F68-L71 WeakPolarHBondContact O-CB 3.39Å; F68-L71 PolarHBondContact O-N 2.85Å; L71-A73 VanDerWaalsContact C-N 3.26Å; L71-A73 PolarHBondContact O-N 3.14Å; L71-M74 WeakPolarHBondContact O-CB 3.38Å; L71-M74 PolarHBondContact O-N 2.78Å; L71-I75 HydrophobicContact CD2-CD1 3.53Å; L71-I75 HydrophobicContact CD2-CG1 4.21Å; L71-I75 PolarHBondContact O-N 2.77Å; L71-I75 VanDerWaalsContact O-N 3.14Å; L71-I97 HydrophobicContact CD1-CB 4.34Å; L71-I97 HydrophobicContact CD1-CG2 3.56Å; L71-I97 HydrophobicContact CG-CD1 4.1Å; L71-I97 HydrophobicContact CG-CG2 3.98Å; L71-F347 HydrophobicContact CD1-CD2 4.21Å; L71-F347 HydrophobicContact CD1-CE2 4.49Å
72Q95.6Very high94.6Very high5 Ų521.4 Ų21.42%0.0239%0.094CC..Hα-helixtrans-65.1-28178.9-69.2-673.100112.9F68 W70 M74 I75 F76 F330 F333 L334 Y393F68-Q72 HydrophobicContact CD2-CG 4.23Å; F68-Q72 HydrophobicContact CE1-CG 4.41Å; F68-Q72 HydrophobicContact CE2-CG 4.13Å; F68-Q72 HydrophobicContact CZ-CG 4.23Å; F68-Q72 WeakPolarHBondContact O-CG 3.35Å; F68-Q72 PolarHBondContact O-N 3.31Å; W70-Q72 VanDerWaalsContact C-N 3.34Å; W70-Q72 PolarHBondContact O-N 2.94Å; Q72-M74 VanDerWaalsContact C-N 3.3Å; Q72-M74 PolarHBondContact O-N 3.46Å; Q72-I75 PolarHBondContact O-N 3.22Å; Q72-F76 VanDerWaalsContact O-CB 3.3Å; Q72-F76 WeakPolarHBondContact O-CB 3.46Å; Q72-F76 PolarHBondContact O-N 3.19Å; Q72-F330 HydrophobicContact CB-CE2 4.46Å; Q72-F333 HydrophobicContact CB-CE1 4.23Å; Q72-L334 HydrophobicContact CB-CD2 3.79Å; Q72-L334 HydrophobicContact CG-CD2 4.33Å; Q72-Y393 HydrophobicContact CG-CE2 3.99Å
73A96.1Very high95Very high0 Ų023.4 Ų23.40%011%0.113CC..Hα-helixtrans-68.5-28.4172.700000112.8R69 W70 L71 A77 F330 S402R69-A73 PolarHBondContact O-N 3.42Å; W70-A73 WeakPolarHBondContact O-CB 3.39Å; W70-A73 PolarHBondContact O-N 3.05Å; L71-A73 VanDerWaalsContact C-N 3.26Å; L71-A73 PolarHBondContact O-N 3.14Å; A73-A77 WeakPolarHBondContact O-CB 3.44Å; A73-A77 PolarHBondContact O-N 3.07Å; A73-F330 HydrophobicContact CB-CE1 4.41Å; A73-F330 HydrophobicContact CB-CE2 4.07Å; A73-F330 HydrophobicContact CB-CZ 3.72Å; A73-S402 WeakPolarHBondContact CB-O 3.36Å
74M97.2Very high95Very high0 Ų024.2 Ų24.20%012%0.121CC..Hα-helixtrans-73.7-42.9170.9170.9171.6178.500111.8L34 F38 W70 L71 Q72 A77 I78 I97 V142 V409L34-M74 HydrophobicContact CB-CE 3.82Å; F38-M74 HydrophobicContact CE2-CB 4.31Å; F38-M74 HydrophobicContact CE2-SD 3.68Å; F38-M74 HydrophobicContact CZ-CB 3.84Å; F38-M74 HydrophobicContact CZ-SD 3.92Å; W70-M74 PolarHBondContact O-N 3.41Å; L71-M74 WeakPolarHBondContact O-CB 3.38Å; L71-M74 PolarHBondContact O-N 2.78Å; Q72-M74 VanDerWaalsContact C-N 3.3Å; Q72-M74 PolarHBondContact O-N 3.46Å; M74-A77 PolarHBondContact O-N 3.45Å; M74-I78 HydrophobicContact CE-CD1 3.87Å; M74-I78 HydrophobicContact CG-CD1 4.01Å; M74-I78 WeakPolarHBondContact O-CG1 3.49Å; M74-I78 PolarHBondContact O-N 3.11Å; M74-I78 VanDerWaalsContact O-N 3.12Å; M74-I97 HydrophobicContact CE-CD1 4.36Å; M74-I97 HydrophobicContact CE-CG1 4.31Å; M74-I97 HydrophobicContact CG-CD1 4.2Å; M74-I97 HydrophobicContact SD-CD1 3.92Å; M74-I97 HydrophobicContact SD-CG1 4.22Å; M74-V142 HydrophobicContact CE-CG2 4.4Å; M74-V142 HydrophobicContact SD-CB 3.91Å; M74-V142 HydrophobicContact SD-CG1 4.31Å; M74-V142 HydrophobicContact SD-CG2 4.26Å; M74-V409 HydrophobicContact CB-CG2 4.12Å; M74-V409 HydrophobicContact CG-CG2 3.77Å
75I96.2Very high94.9Very high1 Ų129 Ų291%0.00516%0.156CC..Hα-helixtrans-62.6-50.5177.1-62.1-178.8000110.2L71 Q72 A77 I78 E79 Y95 I97 F333L71-I75 HydrophobicContact CD2-CD1 3.53Å; L71-I75 HydrophobicContact CD2-CG1 4.21Å; L71-I75 PolarHBondContact O-N 2.77Å; L71-I75 VanDerWaalsContact O-N 3.14Å; Q72-I75 PolarHBondContact O-N 3.22Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 2.99Å; I75-I78 PolarHBondContact O-N 3.38Å; I75-E79 WeakPolarHBondContact CG2-OE1 3.35Å; I75-E79 PolarHBondContact O-N 3.42Å; I75-Y95 HydrophobicContact CB-CE1 4.42Å; I75-Y95 HydrophobicContact CD1-CE2 4.13Å; I75-Y95 HydrophobicContact CG1-CE1 4.02Å; I75-Y95 HydrophobicContact CG1-CE2 4.19Å; I75-Y95 HydrophobicContact CG2-CE1 4.05Å; I75-I97 HydrophobicContact CD1-CD1 4.44Å; I75-I97 HydrophobicContact CG1-CD1 3.99Å; I75-F333 HydrophobicContact CB-CZ 4.41Å; I75-F333 HydrophobicContact CG2-CZ 3.95Å
76F96.1Very high94.8Very high22 Ų2233.4 Ų33.410%0.09618%0.18CC..Hα-helixtrans-54.3-47.1177.2178.6-100.4000112.7Q72 I78 E79 E80 I327 P328 F330 F333 Y406Q72-F76 VanDerWaalsContact O-CB 3.3Å; Q72-F76 WeakPolarHBondContact O-CB 3.46Å; Q72-F76 PolarHBondContact O-N 3.19Å; F76-I78 VanDerWaalsContact C-N 3.31Å; F76-I78 PolarHBondContact O-N 3.45Å; F76-E79 PolarHBondContact O-N 3.43Å; F76-E80 WeakPolarHBondContact O-CB 3.24Å; F76-E80 PolarHBondContact O-N 3.02Å; F76-I327 HydrophobicContact CD1-CG2 3.84Å; F76-I327 HydrophobicContact CE1-CG2 3.62Å; F76-P328 WeakPolarHBondContact CE1-O 3.49Å; F76-P328 WeakPolarHBondContact CZ-O 3.08Å; F76-F330 HydrophobicContact CB-CD2 3.76Å; F76-F330 HydrophobicContact CB-CE2 3.95Å; F76-F330 HydrophobicContact CD1-CB 4.34Å; F76-F330 AromaticContact CD1-CD2 3.9Å; F76-F330 HydrophobicContact CD1-CD2 3.9Å; F76-F330 HydrophobicContact CD2-CD2 4.22Å; F76-F330 HydrophobicContact CE1-CB 4.3Å; F76-F330 AromaticContact CG-CD2 3.67Å; F76-F330 HydrophobicContact CG-CD2 3.67Å; F76-F330 HydrophobicContact CG-CE2 4.37Å; F76-F333 HydrophobicContact CB-CD1 3.86Å; F76-F333 HydrophobicContact CB-CE1 3.85Å; F76-F333 HydrophobicContact CB-CG 4.29Å; F76-F333 HydrophobicContact CB-CZ 4.26Å; F76-F333 HydrophobicContact CD2-CB 3.6Å; F76-F333 AromaticContact CD2-CD1 3.93Å; F76-F333 HydrophobicContact CD2-CD1 3.93Å; F76-F333 AromaticContact CD2-CD2 3.78Å; F76-F333 HydrophobicContact CD2-CD2 3.78Å; F76-F333 HydrophobicContact CD2-CE2 4.42Å; F76-F333 AromaticContact CD2-CG 3.5Å; F76-F333 HydrophobicContact CD2-CG 3.5Å; F76-F333 HydrophobicContact CE2-CB 3.96Å; F76-F333 HydrophobicContact CE2-CG 4.31Å; F76-F333 HydrophobicContact CG-CD1 4.28Å; F76-F333 HydrophobicContact CG-CG 4.3Å; F76-Y406 HydrophobicContact CD1-CD2 4.27Å; F76-Y406 HydrophobicContact CD1-CE2 4.14Å; F76-Y406 HydrophobicContact CE1-CE2 4.12Å
77A96.8Very high94.8Very high0 Ų033.4 Ų33.40%018%0.181CC..Hα-helixtrans-60-41.8177.600000111.7A73 M74 I75 E80 I81 Y406 V409 Y410A73-A77 WeakPolarHBondContact O-CB 3.44Å; A73-A77 PolarHBondContact O-N 3.07Å; M74-A77 PolarHBondContact O-N 3.45Å; I75-A77 VanDerWaalsContact C-N 3.34Å; I75-A77 PolarHBondContact O-N 2.99Å; A77-E80 PolarHBondContact O-N 2.71Å; A77-I81 WeakPolarHBondContact O-CB 3.39Å; A77-I81 WeakPolarHBondContact O-CD1 3.26Å; A77-I81 WeakPolarHBondContact O-CG1 3.37Å; A77-I81 PolarHBondContact O-N 3.11Å; A77-Y406 HydrophobicContact CB-CD2 3.68Å; A77-Y406 HydrophobicContact CB-CE2 4.15Å; A77-Y406 HydrophobicContact CB-CG 4.42Å; A77-V409 HydrophobicContact CB-CB 3.85Å; A77-V409 HydrophobicContact CB-CG1 3.8Å; A77-V409 HydrophobicContact CB-CG2 4.24Å; A77-Y410 HydrophobicContact CB-CD2 4.32Å; A77-Y410 HydrophobicContact CB-CE2 4.31Å
78I96.9Very high94.9Very high0 Ų033.6 Ų33.60%018%0.182CC..Hα-helixtrans-66-41.6178.3-71.4172000111.5M28 L34 M74 I75 F76 I81 N82 L93 Y95 V409M28-I78 HydrophobicContact CE-CG2 3.7Å; L34-I78 HydrophobicContact CD1-CD1 4.1Å; L34-I78 HydrophobicContact CD1-CG1 4.39Å; M74-I78 HydrophobicContact CE-CD1 3.87Å; M74-I78 HydrophobicContact CG-CD1 4.01Å; M74-I78 WeakPolarHBondContact O-CG1 3.49Å; M74-I78 PolarHBondContact O-N 3.11Å; M74-I78 VanDerWaalsContact O-N 3.12Å; I75-I78 PolarHBondContact O-N 3.38Å; F76-I78 VanDerWaalsContact C-N 3.31Å; F76-I78 PolarHBondContact O-N 3.45Å; I78-I81 PolarHBondContact O-N 3.35Å; I78-N82 WeakPolarHBondContact O-CB 3.48Å; I78-N82 PolarHBondContact O-N 3.4Å; I78-N82 PolarHBondContact O-ND2 3.45Å; I78-L93 HydrophobicContact CG2-CB 4.03Å; I78-L93 WeakPolarHBondContact CG2-O 3.31Å; I78-Y95 HydrophobicContact CD1-CD1 3.73Å; I78-Y95 HydrophobicContact CD1-CG 4.24Å; I78-Y95 HydrophobicContact CG2-CD1 4.19Å; I78-V409 HydrophobicContact CG1-CG1 3.81Å
79E95.4Very high94.7Very high78 Ų7835.3 Ų35.336%0.36419%0.193SC..Hα-helixtrans-64.3-43.7174.7-72.3-177.8-150.200112.4I75 F76 I81 N82 N83I75-E79 WeakPolarHBondContact CG2-OE1 3.35Å; I75-E79 PolarHBondContact O-N 3.42Å; F76-E79 PolarHBondContact O-N 3.43Å; E79-I81 VanDerWaalsContact C-N 3.33Å; E79-I81 PolarHBondContact O-N 3.14Å; E79-N82 PolarHBondContact O-N 3.39Å; E79-N83 WeakPolarHBondContact O-CB 3.4Å; E79-N83 PolarHBondContact O-N 3.17Å
80E95.3Very high94.4Very high65 Ų6542.3 Ų42.330%0.30423%0.23SC..Hα-helixtrans-61.8-39.6176.7-171.8175.246.600111.9F76 A77 S84 Y406 Y410F76-E80 WeakPolarHBondContact O-CB 3.24Å; F76-E80 PolarHBondContact O-N 3.02Å; A77-E80 PolarHBondContact O-N 2.71Å; E80-S84 PolarHBondContact O-N 3.48Å; E80-Y406 VanDerWaalsContact OE1-CE2 3.22Å; E80-Y406 WeakPolarHBondContact OE1-CE2 3.23Å; E80-Y406 PolarHBondContact OE1-OH 2.96Å; E80-Y410 WeakPolarHBondContact CG-OH 3.45Å; E80-Y410 PolarHBondContact OE1-OH 3.36Å
81I96.1Very high94.3Very high2 Ų241.7 Ų41.71%0.0123%0.229CC..Hα-helixtrans-68.3-47174.7-66.6158.6000111.1A77 I78 E79 N83 S84 L87 L88 L93 V409 Y410 A413A77-I81 WeakPolarHBondContact O-CB 3.39Å; A77-I81 WeakPolarHBondContact O-CD1 3.26Å; A77-I81 WeakPolarHBondContact O-CG1 3.37Å; A77-I81 PolarHBondContact O-N 3.11Å; I78-I81 PolarHBondContact O-N 3.35Å; E79-I81 VanDerWaalsContact C-N 3.33Å; E79-I81 PolarHBondContact O-N 3.14Å; I81-N83 PolarHBondContact O-N 3.15Å; I81-S84 WeakPolarHBondContact O-CB 3.12Å; I81-S84 PolarHBondContact O-N 3Å; I81-L87 HydrophobicContact CG1-CD2 3.99Å; I81-L87 HydrophobicContact CG2-CD2 4.2Å; I81-L87 HydrophobicContact CG2-CG 4.27Å; I81-L88 HydrophobicContact CG2-CD1 4.26Å; I81-L93 HydrophobicContact CB-CD1 4.45Å; I81-L93 HydrophobicContact CD1-CD1 4.3Å; I81-L93 HydrophobicContact CG2-CD1 3.79Å; I81-L93 HydrophobicContact CG2-CG 4.45Å; I81-V409 HydrophobicContact CD1-CG1 3.72Å; I81-Y410 HydrophobicContact CD1-CD2 4.24Å; I81-Y410 HydrophobicContact CD1-CE2 4.1Å; I81-Y410 HydrophobicContact CD1-CG 4.49Å; I81-Y410 HydrophobicContact CG1-CE1 4.08Å; I81-Y410 HydrophobicContact CG1-CE2 4.01Å; I81-A413 HydrophobicContact CD1-CB 3.64Å; I81-A413 HydrophobicContact CG1-CB 4.33Å; I81-A413 HydrophobicContact CG2-CB 4.27Å
82N96.2Very high94.2Very high55 Ų5544.7 Ų44.729%0.29425%0.247SC..Hα-helixtrans-64.2-26.5-179.9-75.1-20.4000113.1I78 E79 S84 L93I78-N82 WeakPolarHBondContact O-CB 3.48Å; I78-N82 PolarHBondContact O-N 3.4Å; I78-N82 PolarHBondContact O-ND2 3.45Å; E79-N82 PolarHBondContact O-N 3.39Å; N82-S84 VanDerWaalsContact C-N 3.32Å; N82-L93 PolarHBondContact ND2-O 3.28Å; N82-L93 PolarHBondContact OD1-N 3.21Å
83N94.8Very high94.2Very high149 Ų14944.4 Ų44.480%0.79725%0.246SC*.THydrogen-bonded Turntrans-87.42.1173.9-162.129.4000113.1E79 I81E79-N83 WeakPolarHBondContact O-CB 3.4Å; E79-N83 PolarHBondContact O-N 3.17Å; I81-N83 PolarHBondContact O-N 3.15Å
84S92.4Very high94.1Very high38 Ų3844.4 Ų44.427%0.26625%0.246SC..  trans-81.9133.8179.8-163.60000112.4E80 I81 N82 I86 L87E80-S84 PolarHBondContact O-N 3.48Å; I81-S84 WeakPolarHBondContact O-CB 3.12Å; I81-S84 PolarHBondContact O-N 3Å; N82-S84 VanDerWaalsContact C-N 3.32Å; S84-I86 VanDerWaalsContact C-N 3.35Å; S84-I86 PolarHBondContact OG-N 3Å; S84-L87 PolarHBondContact OG-N 3.43Å
85S90.8Very high93.9Very high107 Ų10744.4 Ų44.475%0.74825%0.246SC*.SBendtrans-87.5-4.1168.8570000113.7
86I90.3Very high93.8Very high135 Ų13545 Ų4569%0.69225%0.248SC*.SBendtrans-111.3-42.8-172.6-58.2175.9000111.1S84 Q417S84-I86 VanDerWaalsContact C-N 3.35Å; S84-I86 PolarHBondContact OG-N 3Å; I86-Q417 PolarHBondContact O-NE2 2.93Å
87L92.8Very high93.7Very high18 Ų1843.9 Ų43.99%0.09424%0.243CC..SBendtrans-101.6121.9-177-175.360.8000109.5I81 S84 P89 Y410 A413 Q417I81-L87 HydrophobicContact CG1-CD2 3.99Å; I81-L87 HydrophobicContact CG2-CD2 4.2Å; I81-L87 HydrophobicContact CG2-CG 4.27Å; S84-L87 PolarHBondContact OG-N 3.43Å; L87-P89 VanDerWaalsContact C-CD 3.48Å; L87-Y410 HydrophobicContact CD2-CD1 4.1Å; L87-Y410 HydrophobicContact CD2-CE1 3.73Å; L87-A413 HydrophobicContact CD2-CB 4.09Å; L87-A413 HydrophobicContact CG-CB 4.49Å; L87-Q417 HydrophobicContact CD1-CB 3.6Å; L87-Q417 HydrophobicContact CD1-CG 3.76Å
88L93.1Very high93.6Very high4 Ų444 Ų442%0.02124%0.244CC..SBendtrans52.443.9-178.6-57.9178000116.2I81 N90 I91 L93 A413 L416 Q417 I437I81-L88 HydrophobicContact CG2-CD1 4.26Å; L88-N90 PolarHBondContact O-N 3.34Å; L88-I91 HydrophobicContact CB-CB 4.39Å; L88-I91 PolarHBondContact O-N 3.22Å; L88-L93 HydrophobicContact CD1-CD1 3.96Å; L88-L93 HydrophobicContact CD1-CD2 3.91Å; L88-L93 HydrophobicContact CD1-CG 4.03Å; L88-A413 HydrophobicContact CD1-CB 4.2Å; L88-L416 HydrophobicContact CD1-CB 4.13Å; L88-L416 HydrophobicContact CD1-CD1 4.21Å; L88-L416 HydrophobicContact CD2-CB 3.8Å; L88-Q417 HydrophobicContact CD2-CB 4.36Å; L88-I437 HydrophobicContact CD2-CD1 4.03Å
89P91.1Very high93.4Very high36 Ų3644.6 Ų44.623%0.23425%0.247CC..THydrogen-bonded Turntrans-62.5127.8-17727.8-35.7000112.4L87 F420L87-P89 VanDerWaalsContact C-CD 3.48Å; P89-F420 HydrophobicContact CG-CE1 3.79Å; P89-F420 HydrophobicContact CG-CZ 4.37Å
90N89.5Confident93.3Very high147 Ų14741 Ų4179%0.78623%0.23SC*.THydrogen-bonded Turntrans6925-172.9-41.4-83.8000115.3L88L88-N90 PolarHBondContact O-N 3.34Å
91I91.9Very high93.1Very high13 Ų1338 Ų387%0.06722%0.216CC..  trans-134120.8171.9-61177.4000108.4D31 I32 L88 F420 I437D31-I91 HydrophobicContact CB-CG2 4.14Å; I32-I91 HydrophobicContact CD1-CG2 3.76Å; I32-I91 HydrophobicContact CG1-CG2 4.19Å; L88-I91 HydrophobicContact CB-CB 4.39Å; L88-I91 PolarHBondContact O-N 3.22Å; I91-F420 HydrophobicContact CD1-CD2 3.68Å; I91-F420 HydrophobicContact CD1-CE2 3.78Å; I91-F420 HydrophobicContact CD1-CG 4.43Å; I91-I437 HydrophobicContact CD1-CB 4.36Å; I91-I437 HydrophobicContact CD1-CD1 3.62Å; I91-I437 HydrophobicContact CD1-CG1 3.94Å; I91-I437 HydrophobicContact CD1-CG2 3.55Å
92T93.6Very high92.8Very high63 Ų6339.8 Ų39.839%0.38723%0.226SC..  trans-93.7130.5-178.756.80000111.9G30 D31 I32G30-T92 CarbonylContact C-O 3.56Å; G30-T92 VanDerWaalsContact CA-OG1 3.27Å; G30-T92 WeakPolarHBondContact CA-OG1 3.45Å; D31-T92 PolarHBondContact N-O 3.1Å; D31-T92 PolarHBondContact N-OG1 3.4Å; D31-T92 PolarHBondContact OD2-N 2.89Å; D31-T92 PolarHBondContact OD2-OG1 3.12Å; I32-T92 PolarHBondContact N-O 3.45Å; I32-T92 VanDerWaalsContact N-O 3.12Å
93L95.2Very high92.6Very high0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-89122.6168.4-60.5-173.9000109.3M28 I32 L34 I78 I81 N82 L88 A413 L416M28-L93 WeakPolarHBondContact CE-O 3.34Å; I32-L93 HydrophobicContact CB-CD2 3.97Å; I32-L93 HydrophobicContact CG2-CD2 4.1Å; L34-L93 HydrophobicContact CD1-CD1 4.42Å; I78-L93 HydrophobicContact CG2-CB 4.03Å; I78-L93 WeakPolarHBondContact CG2-O 3.31Å; I81-L93 HydrophobicContact CB-CD1 4.45Å; I81-L93 HydrophobicContact CD1-CD1 4.3Å; I81-L93 HydrophobicContact CG2-CD1 3.79Å; I81-L93 HydrophobicContact CG2-CG 4.45Å; N82-L93 PolarHBondContact ND2-O 3.28Å; N82-L93 PolarHBondContact OD1-N 3.21Å; L88-L93 HydrophobicContact CD1-CD1 3.96Å; L88-L93 HydrophobicContact CD1-CD2 3.91Å; L88-L93 HydrophobicContact CD1-CG 4.03Å; L93-A413 HydrophobicContact CD1-CB 4.25Å; L93-L416 HydrophobicContact CD2-CD1 3.84Å
94G94.2Very high92.4Very high0 Ų033.4 Ų33.40%019%0.194CC..EExtended strand (participates in β ladder)trans-107.8176.7168.100000111.5M28 I32 L34M28-G94 CarbonylContact O-C 3.57Å; M28-G94 WeakPolarHBondContact O-CA 3.43Å; I32-G94 PolarHBondContact O-N 3.31Å; L34-G94 PolarHBondContact N-O 3.27Å
95Y94.1Very high92.3Very high0 Ų035.1 Ų35.10%021%0.206CC..EExtended strand (participates in β ladder)trans-144154.9-178.356.6-102.3000114.3A26 Q27 M28 L34 I75 I78 I97 H344A26-Y95 HydrophobicContact CB-CE2 4.26Å; Q27-Y95 WeakPolarHBondContact CA-O 3.48Å; M28-Y95 HydrophobicContact CB-CD1 3.85Å; M28-Y95 HydrophobicContact CB-CD2 4.25Å; M28-Y95 HydrophobicContact CB-CE1 3.49Å; M28-Y95 VanDerWaalsContact CB-CE1 3.49Å; M28-Y95 HydrophobicContact CB-CE2 3.93Å; M28-Y95 HydrophobicContact CB-CG 4.22Å; M28-Y95 HydrophobicContact CE-CD1 4.09Å; M28-Y95 HydrophobicContact CE-CE1 3.86Å; M28-Y95 HydrophobicContact CG-CE1 4.34Å; M28-Y95 PolarHBondContact N-O 3.46Å; M28-Y95 PolarHBondContact O-N 3.49Å; M28-Y95 HydrophobicContact SD-CE1 4Å; L34-Y95 CarbonylContact O-C 3.53Å; L34-Y95 VanDerWaalsContact O-CA 3.23Å; L34-Y95 WeakPolarHBondContact O-CA 3.29Å; I75-Y95 HydrophobicContact CB-CE1 4.42Å; I75-Y95 HydrophobicContact CD1-CE2 4.13Å; I75-Y95 HydrophobicContact CG1-CE1 4.02Å; I75-Y95 HydrophobicContact CG1-CE2 4.19Å; I75-Y95 HydrophobicContact CG2-CE1 4.05Å; I78-Y95 HydrophobicContact CD1-CD1 3.73Å; I78-Y95 HydrophobicContact CD1-CG 4.24Å; I78-Y95 HydrophobicContact CG2-CD1 4.19Å; Y95-I97 HydrophobicContact CD2-CD1 3.83Å; Y95-I97 HydrophobicContact CD2-CG1 3.83Å; Y95-I97 HydrophobicContact CE2-CD1 4.31Å; Y95-I97 HydrophobicContact CG-CD1 4.19Å; Y95-I97 HydrophobicContact CG-CG1 4.29Å; Y95-H344 PolarHBondContact OH-CD2 2.69Å; Y95-H344 PolarHBondContact OH-NE2 2.81Å; Y95-H344 VanDerWaalsContact OH-NE2 3.16Å
96R92.5Very high92.2Very high12 Ų1231.4 Ų31.45%0.04518%0.177CC..EExtended strand (participates in β ladder)trans-131.6109.8163.1-68.5-178.370-178.8-1.2108.2Q27 L33 L34 G35 G36 F114Q27-R96 HydrophobicContact CG-CG 4.3Å; L33-R96 HydrophobicContact CD1-CG 4.44Å; L34-R96 PolarHBondContact O-N 3.12Å; G35-R96 CarbonylContact C-O 3.14Å; G35-R96 WeakPolarHBondContact CA-O 3.38Å; G36-R96 PolarHBondContact N-O 3.38Å; R96-F114 HydrophobicContact CB-CE1 4.26Å; R96-F114 WeakPolarHBondContact O-CE1 3.36Å
97I94.9Very high92.4Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-114.4130.3-174.6-51.4177.3000109.6R25 A26 G36 F38 L71 M74 I75 Y95R25-I97 WeakPolarHBondContact CA-O 3.31Å; R25-I97 WeakPolarHBondContact CB-O 3.36Å; A26-I97 HydrophobicContact CB-CB 4.29Å; A26-I97 PolarHBondContact N-O 3.21Å; A26-I97 PolarHBondContact O-N 2.9Å; G36-I97 WeakPolarHBondContact O-CA 3.25Å; F38-I97 HydrophobicContact CD2-CG2 3.53Å; F38-I97 HydrophobicContact CE2-CG2 3.97Å; L71-I97 HydrophobicContact CD1-CB 4.34Å; L71-I97 HydrophobicContact CD1-CG2 3.56Å; L71-I97 HydrophobicContact CG-CD1 4.1Å; L71-I97 HydrophobicContact CG-CG2 3.98Å; M74-I97 HydrophobicContact CE-CD1 4.36Å; M74-I97 HydrophobicContact CE-CG1 4.31Å; M74-I97 HydrophobicContact CG-CD1 4.2Å; M74-I97 HydrophobicContact SD-CD1 3.92Å; M74-I97 HydrophobicContact SD-CG1 4.22Å; I75-I97 HydrophobicContact CD1-CD1 4.44Å; I75-I97 HydrophobicContact CG1-CD1 3.99Å; Y95-I97 HydrophobicContact CD2-CD1 3.83Å; Y95-I97 HydrophobicContact CD2-CG1 3.83Å; Y95-I97 HydrophobicContact CE2-CD1 4.31Å; Y95-I97 HydrophobicContact CG-CD1 4.19Å; Y95-I97 HydrophobicContact CG-CG1 4.29Å
98F93.7Very high92.3Very high1 Ų126.6 Ų26.60%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-122.1153.6179.1-63.5-75.3000111.5P22 R25 G36 L37 F38 A110 F114P22-F98 HydrophobicContact CB-CD1 3.85Å; P22-F98 HydrophobicContact CB-CE1 3.99Å; P22-F98 HydrophobicContact CG-CD1 3.85Å; P22-F98 HydrophobicContact CG-CE1 4Å; P22-F98 HydrophobicContact CG-CG 4.47Å; R25-F98 HydrophobicContact CB-CD1 3.74Å; R25-F98 HydrophobicContact CB-CE1 3.74Å; R25-F98 HydrophobicContact CG-CE1 4.37Å; G36-F98 PolarHBondContact O-N 3.01Å; L37-F98 HydrophobicContact CD2-CB 4.46Å; F38-F98 PolarHBondContact N-O 3.36Å; F98-A110 HydrophobicContact CB-CB 3.54Å; F98-A110 HydrophobicContact CD2-CB 3.8Å; F98-A110 HydrophobicContact CG-CB 3.79Å; F98-F114 AromaticContact CD2-CE1 3.77Å; F98-F114 HydrophobicContact CD2-CE1 3.77Å; F98-F114 AromaticContact CD2-CZ 3.68Å; F98-F114 HydrophobicContact CD2-CZ 3.68Å; F98-F114 HydrophobicContact CE2-CD1 4.3Å; F98-F114 AromaticContact CE2-CE1 3.67Å; F98-F114 HydrophobicContact CE2-CE1 3.67Å; F98-F114 HydrophobicContact CE2-CZ 4.07Å
99D93.9Very high92.1Very high14 Ų1429.5 Ų29.58%0.07517%0.166CC..EExtended strand (participates in β ladder)trans-75.7136.5170.6-171.311.8000111.1F38 M40 H41 C101 F347F38-D99 WeakPolarHBondContact O-CA 3.43Å; F38-D99 VanDerWaalsContact O-OD1 3.07Å; M40-D99 HydrophobicContact CB-CB 4.08Å; M40-D99 VanDerWaalsContact CB-CG 3.45Å; M40-D99 WeakPolarHBondContact CB-OD1 3.47Å; M40-D99 HydrophobicContact CG-CB 4.04Å; M40-D99 PolarHBondContact N-OD1 3.28Å; H41-D99 IonicContact CE1-OD2 3.5Å; H41-D99 IonicContact CG-OD2 2.62Å; H41-D99 PolarHBondContact N-OD1 2.62Å; H41-D99 PolarHBondContact N-OD2 3.08Å; H41-D99 IonicContact ND1-OD2 3.33Å; H41-D99 PolarHBondContact ND1-OD2 3.2Å; D99-C101 WeakPolarHBondContact OD1-CA 3.49Å; D99-C101 PolarHBondContact OD1-N 3.08Å; D99-C101 PolarHBondContact OD2-SG 3.02Å; D99-F347 HydrophobicContact CB-CE1 3.93Å; D99-F347 HydrophobicContact CB-CZ 3.93Å
100T94Very high92Very high1 Ų127.8 Ų27.81%0.00616%0.155CC..  trans-92.4-15.2169.464.80000112.9L37 F38 P39 N102 T103 K106 A107 A144 V149L37-T100 HydrophobicContact CB-CG2 3.77Å; L37-T100 HydrophobicContact CD2-CG2 4.17Å; L37-T100 HydrophobicContact CG-CG2 4.48Å; F38-T100 PolarHBondContact O-N 3.36Å; P39-T100 WeakPolarHBondContact CA-OG1 3.43Å; T100-N102 PolarHBondContact O-N 3.36Å; T100-N102 PolarHBondContact OG1-N 3.37Å; T100-T103 PolarHBondContact O-N 2.91Å; T100-T103 PolarHBondContact O-OG1 2.99Å; T100-K106 WeakPolarHBondContact O-CB 3.41Å; T100-A107 HydrophobicContact CG2-CB 3.86Å; T100-A144 HydrophobicContact CG2-CB 4.17Å; T100-V149 HydrophobicContact CG2-CG1 4.23Å
101C91.3Very high92.1Very high2 Ų220.8 Ų20.81%0.01412%0.117CC..THydrogen-bonded Turntrans52.327-175.6-38.20000113H41 G43 V44 C60 D99 T103 K106H41-C101 HydrophobicContact CB-CB 4.1Å; H41-C101 CarbonylContact O-C 3.5Å; H41-C101 WeakPolarHBondContact O-CA 3.48Å; G43-C101 VanDerWaalsContact CA-O 3.24Å; G43-C101 WeakPolarHBondContact CA-O 3.46Å; G43-C101 PolarHBondContact N-O 3.21Å; V44-C101 HydrophobicContact CG1-CB 3.89Å; C60-C101 HydrophobicContact CB-CB 3.64Å; C60-C101 WeakPolarHBondContact CB-SG 3.45Å; C60-C101 WeakPolarHBondContact SG-CB 3.39Å; C60-C101 CovalentContact SG-SG 2.02Å; C60-C101 PolarHBondContact SG-SG 3.37Å; D99-C101 WeakPolarHBondContact OD1-CA 3.49Å; D99-C101 PolarHBondContact OD1-N 3.08Å; D99-C101 PolarHBondContact OD2-SG 3.02Å; C101-T103 PolarHBondContact O-N 3.16Å; C101-K106 HydrophobicContact CB-CB 4.48Å; C101-K106 HydrophobicContact CB-CG 4.19Å
102N89.6Confident92Very high40 Ų4025 Ų2521%0.21414%0.139CC..THydrogen-bonded Turntrans49.828.1-167.2-155.748.7000115.5P39 H41 F42 T100P39-N102 HydrophobicContact CB-CB 4.25Å; H41-N102 PolarHBondContact O-N 2.86Å; F42-N102 WeakPolarHBondContact O-CB 3.42Å; T100-N102 PolarHBondContact O-N 3.36Å; T100-N102 PolarHBondContact OG1-N 3.37Å
103T90.3Very high91.5Very high16 Ų1622.4 Ų22.410%0.09812%0.124CC..  trans-125.3148.8-178.357.80000113.2V44 T100 C101 K106 A107 Y246V44-T103 HydrophobicContact CG1-CG2 4.17Å; V44-T103 HydrophobicContact CG2-CG2 4.28Å; T100-T103 PolarHBondContact O-N 2.91Å; T100-T103 PolarHBondContact O-OG1 2.99Å; C101-T103 PolarHBondContact O-N 3.16Å; T103-K106 WeakPolarHBondContact OG1-CB 3.38Å; T103-A107 PolarHBondContact O-N 3.42Å; T103-Y246 WeakPolarHBondContact CG2-OH 3.44Å
104V92.1Very high91.1Very high55 Ų5522.4 Ų22.433%0.33312%0.124SC..Hα-helixtrans-64.5-42.7178.7167.60000112.1A107 L108 A148 A152V104-A107 PolarHBondContact O-N 3.01Å; V104-L108 HydrophobicContact CG1-CD1 3.83Å; V104-L108 HydrophobicContact CG1-CG 4.36Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.23Å; V104-L108 PolarHBondContact O-N 3.26Å; V104-A148 HydrophobicContact CG2-CB 4.47Å; V104-A152 HydrophobicContact CG1-CB 3.53Å; V104-A152 HydrophobicContact CG2-CB 4.4Å
105S89.1Confident90.6Very high73 Ų7322.9 Ų22.951%0.5113%0.126SC..Hα-helixtrans-61-49.3-176.848.50000112.6L108 E109S105-L108 PolarHBondContact O-N 3.05Å; S105-E109 PolarHBondContact O-N 3.47Å
106K89.5Confident89.7Confident29 Ų2924.7 Ų24.713%0.12614%0.141CC..Hα-helixtrans-64-43.3177.8-76.1-74.1-176.11730112.9V44 S57 T58 C60 T100 C101 T103 L108 E109 A110V44-K106 HydrophobicContact CG1-CG 4.16Å; S57-K106 WeakPolarHBondContact OG-CE 3.24Å; S57-K106 PolarHBondContact OG-NZ 2.92Å; T58-K106 WeakPolarHBondContact O-CE 3.32Å; T58-K106 PolarHBondContact O-NZ 3.11Å; C60-K106 WeakPolarHBondContact SG-CE 3.27Å; T100-K106 WeakPolarHBondContact O-CB 3.41Å; C101-K106 HydrophobicContact CB-CB 4.48Å; C101-K106 HydrophobicContact CB-CG 4.19Å; T103-K106 WeakPolarHBondContact OG1-CB 3.38Å; K106-L108 VanDerWaalsContact C-N 3.29Å; K106-L108 PolarHBondContact O-N 3.01Å; K106-E109 WeakPolarHBondContact O-CB 3.48Å; K106-E109 PolarHBondContact O-N 3.17Å; K106-A110 PolarHBondContact O-N 3.38Å
107A93.3Very high88.5Confident0 Ų025.3 Ų25.30%015%0.145CC..Hα-helixtrans-64.1-34.5176.400000112.5T100 T103 V104 T111 V149 V153T100-A107 HydrophobicContact CG2-CB 3.86Å; T103-A107 PolarHBondContact O-N 3.42Å; V104-A107 PolarHBondContact O-N 3.01Å; A107-T111 VanDerWaalsContact O-CB 3.23Å; A107-T111 WeakPolarHBondContact O-CB 3.47Å; A107-T111 PolarHBondContact O-N 3.1Å; A107-T111 PolarHBondContact O-OG1 3.39Å; A107-V149 HydrophobicContact CB-CG1 3.2Å; A107-V153 HydrophobicContact CB-CG2 3.8Å
108L92.5Very high86.8Confident53 Ų5326.4 Ų26.428%0.27715%0.151SC..Hα-helixtrans-69.4-39.2172.9-73.4174.2000112.5V104 S105 K106 T111 L112 A152 L156V104-L108 HydrophobicContact CG1-CD1 3.83Å; V104-L108 HydrophobicContact CG1-CG 4.36Å; V104-L108 WeakPolarHBondContact O-CB 3.43Å; V104-L108 WeakPolarHBondContact O-CG 3.23Å; V104-L108 PolarHBondContact O-N 3.26Å; S105-L108 PolarHBondContact O-N 3.05Å; K106-L108 VanDerWaalsContact C-N 3.29Å; K106-L108 PolarHBondContact O-N 3.01Å; L108-T111 PolarHBondContact O-N 2.9Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.1Å; L108-A152 HydrophobicContact CD1-CB 4.24Å; L108-A152 HydrophobicContact CD2-CB 4.15Å; L108-A152 HydrophobicContact CG-CB 4.21Å; L108-L156 HydrophobicContact CD2-CB 4.41Å; L108-L156 HydrophobicContact CD2-CD2 4.07Å
109E88.1Confident85.3Confident65 Ų6532 Ų3230%0.30418%0.175SC..Hα-helixtrans-58.7-46.8173.3-169.4-175.4167.300111.6P22 S57 S105 K106 S113P22-E109 HydrophobicContact CG-CG 4.07Å; S57-E109 WeakPolarHBondContact CB-OE2 3.39Å; S57-E109 PolarHBondContact OG-OE1 3.1Å; S57-E109 PolarHBondContact OG-OE2 2.66Å; S105-E109 PolarHBondContact O-N 3.47Å; K106-E109 WeakPolarHBondContact O-CB 3.48Å; K106-E109 PolarHBondContact O-N 3.17Å; E109-S113 PolarHBondContact O-N 3.04Å; E109-S113 PolarHBondContact O-OG 3.11Å; E109-S113 VanDerWaalsContact O-OG 3.04Å
110A89.3Confident83.8Confident0 Ų032.7 Ų32.70%018%0.178CC..Hα-helixtrans-62.3-44.6172.200000112.5P22 L37 F98 K106 L112 S113 F114P22-A110 HydrophobicContact CG-CB 4.44Å; L37-A110 HydrophobicContact CD2-CB 3.62Å; F98-A110 HydrophobicContact CB-CB 3.54Å; F98-A110 HydrophobicContact CD2-CB 3.8Å; F98-A110 HydrophobicContact CG-CB 3.79Å; K106-A110 PolarHBondContact O-N 3.38Å; A110-L112 PolarHBondContact O-N 3.39Å; A110-S113 WeakPolarHBondContact O-CA 3.3Å; A110-S113 WeakPolarHBondContact O-CB 3.39Å; A110-S113 PolarHBondContact O-N 2.85Å; A110-S113 PolarHBondContact O-OG 3.42Å; A110-F114 PolarHBondContact O-N 2.94Å
111T92.1Very high82.1Confident0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-67.4-37.4-177.1-59.50000112.6A107 L108 S113 F114 V115 V153 L156 L157A107-T111 VanDerWaalsContact O-CB 3.23Å; A107-T111 WeakPolarHBondContact O-CB 3.47Å; A107-T111 PolarHBondContact O-N 3.1Å; A107-T111 PolarHBondContact O-OG1 3.39Å; L108-T111 PolarHBondContact O-N 2.9Å; T111-S113 PolarHBondContact O-N 3.12Å; T111-F114 PolarHBondContact O-N 3.02Å; T111-F114 VanDerWaalsContact O-N 3.14Å; T111-V115 WeakPolarHBondContact O-CG2 3.33Å; T111-V115 PolarHBondContact O-N 3.26Å; T111-V115 VanDerWaalsContact O-N 3.08Å; T111-V153 HydrophobicContact CG2-CG1 4.12Å; T111-L156 HydrophobicContact CG2-CB 4.22Å; T111-L156 HydrophobicContact CG2-CD2 3.62Å; T111-L156 HydrophobicContact CG2-CG 3.9Å; T111-L157 HydrophobicContact CG2-CD1 4.42Å; T111-L157 HydrophobicContact CG2-CD2 3.66Å; T111-L157 HydrophobicContact CG2-CG 3.72Å
112L88.3Confident80.5Confident100 Ų10038.1 Ų38.152%0.52421%0.214SC..Hα-helixtrans-57.8-30.5171.3-76167.7000111.7L108 A110 V115 A116 L156L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 VanDerWaalsContact O-CG 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.1Å; A110-L112 PolarHBondContact O-N 3.39Å; L112-V115 PolarHBondContact O-N 2.67Å; L112-A116 VanDerWaalsContact O-CB 3.22Å; L112-A116 WeakPolarHBondContact O-CB 3.25Å; L112-A116 PolarHBondContact O-N 3.35Å; L112-L156 HydrophobicContact CD2-CD2 3.92Å; L112-L156 HydrophobicContact CG-CD2 3.99Å
113S83.8Confident79Confident10 Ų1040.9 Ų40.97%0.0723%0.229CC..Hα-helixtrans-70.7-36.1177.4-48.80000112.6G21 P22 E109 A110 T111G21-S113 WeakPolarHBondContact CA-OG 3.5Å; P22-S113 WeakPolarHBondContact CD-OG 3.45Å; E109-S113 PolarHBondContact O-N 3.04Å; E109-S113 PolarHBondContact O-OG 3.11Å; E109-S113 VanDerWaalsContact O-OG 3.04Å; A110-S113 WeakPolarHBondContact O-CA 3.3Å; A110-S113 WeakPolarHBondContact O-CB 3.39Å; A110-S113 PolarHBondContact O-N 2.85Å; A110-S113 PolarHBondContact O-OG 3.42Å; T111-S113 PolarHBondContact O-N 3.12Å
114F86.9Confident77.3Confident0 Ų046.3 Ų46.30%026%0.257CS..Hα-helixtrans-69.5-39.4172.2-55.6-43.6000112.1L37 R96 F98 A110 T111 N118 T138 V141L37-F114 HydrophobicContact CD1-CE2 4.32Å; L37-F114 HydrophobicContact CD2-CE2 3.9Å; L37-F114 HydrophobicContact CD2-CZ 4.31Å; L37-F114 HydrophobicContact CG-CE2 3.96Å; R96-F114 HydrophobicContact CB-CE1 4.26Å; R96-F114 WeakPolarHBondContact O-CE1 3.36Å; F98-F114 AromaticContact CD2-CE1 3.77Å; F98-F114 HydrophobicContact CD2-CE1 3.77Å; F98-F114 AromaticContact CD2-CZ 3.68Å; F98-F114 HydrophobicContact CD2-CZ 3.68Å; F98-F114 HydrophobicContact CE2-CD1 4.3Å; F98-F114 AromaticContact CE2-CE1 3.67Å; F98-F114 HydrophobicContact CE2-CE1 3.67Å; F98-F114 HydrophobicContact CE2-CZ 4.07Å; A110-F114 PolarHBondContact O-N 2.94Å; T111-F114 PolarHBondContact O-N 3.02Å; T111-F114 VanDerWaalsContact O-N 3.14Å; F114-N118 PolarHBondContact O-ND2 3.02Å; F114-T138 HydrophobicContact CB-CG2 4.08Å; F114-T138 HydrophobicContact CD1-CG2 3.83Å; F114-T138 HydrophobicContact CE1-CG2 4.48Å; F114-T138 HydrophobicContact CG-CG2 4.02Å; F114-V141 HydrophobicContact CD2-CG1 4.38Å; F114-V141 HydrophobicContact CD2-CG2 3.75Å; F114-V141 HydrophobicContact CE2-CG1 3.93Å; F114-V141 HydrophobicContact CE2-CG2 4.06Å; F114-V141 HydrophobicContact CG-CG2 4.33Å
115V84.3Confident75.6Confident9 Ų946.5 Ų46.56%0.05526%0.256CS..Hα-helixtrans-74.2-37.8-178169.70000112.2T111 L112 Q117 N118 K119 L156 L157 F160 I162T111-V115 WeakPolarHBondContact O-CG2 3.33Å; T111-V115 PolarHBondContact O-N 3.26Å; T111-V115 VanDerWaalsContact O-N 3.08Å; L112-V115 PolarHBondContact O-N 2.67Å; V115-Q117 PolarHBondContact O-N 3.17Å; V115-N118 PolarHBondContact O-N 3.1Å; V115-K119 PolarHBondContact O-N 3.19Å; V115-K119 VanDerWaalsContact O-N 3.09Å; V115-L156 HydrophobicContact CG2-CD1 4.46Å; V115-L156 HydrophobicContact CG2-CG 4.23Å; V115-L157 HydrophobicContact CG2-CD2 4.03Å; V115-F160 HydrophobicContact CG1-CD1 4.29Å; V115-F160 HydrophobicContact CG1-CD2 3.63Å; V115-F160 HydrophobicContact CG1-CE1 3.98Å; V115-F160 HydrophobicContact CG1-CE2 3.3Å; V115-F160 HydrophobicContact CG1-CG 4.14Å; V115-F160 HydrophobicContact CG1-CZ 3.49Å; V115-F160 VanDerWaalsContact CG1-CZ 3.49Å; V115-F160 HydrophobicContact CG2-CD2 4.04Å; V115-F160 HydrophobicContact CG2-CE2 4.39Å; V115-I162 HydrophobicContact CG2-CD1 4.26Å
116A75Confident74Confident38 Ų3845.7 Ų45.731%0.31425%0.246SC..Hα-helixtrans-58.9-46.1179.700000111.8L112 K119 I120L112-A116 VanDerWaalsContact O-CB 3.22Å; L112-A116 WeakPolarHBondContact O-CB 3.25Å; L112-A116 PolarHBondContact O-N 3.35Å; A116-K119 PolarHBondContact O-N 3.45Å; A116-I120 WeakPolarHBondContact O-CG1 3.2Å; A116-I120 PolarHBondContact O-N 3.41Å
117Q66.3Low72.2Confident25 Ų2553.1 Ų53.112%0.11728%0.281CS..Hα-helixtrans-60.3-52.1177.1-16565.358.100111.4V115 K119 I120 D121 I135V115-Q117 PolarHBondContact O-N 3.17Å; Q117-K119 PolarHBondContact O-N 3.03Å; Q117-I120 PolarHBondContact O-N 2.7Å; Q117-D121 PolarHBondContact NE2-OD1 3.41Å; Q117-D121 PolarHBondContact O-N 2.66Å; Q117-I135 HydrophobicContact CG-CG2 4.27Å; Q117-I135 PolarHBondContact NE2-O 3.48Å
118N60.2Low70.2Confident24 Ų2461.7 Ų61.713%0.12832%0.318CS..Hα-helixtrans-52.1-32.3176.3-84-91.6000113F114 V115 S122 S137 T138 I162F114-N118 PolarHBondContact O-ND2 3.02Å; V115-N118 PolarHBondContact O-N 3.1Å; N118-S122 VanDerWaalsContact O-CB 3.28Å; N118-S122 WeakPolarHBondContact O-CB 3.32Å; N118-S122 PolarHBondContact O-N 3.19Å; N118-S122 PolarHBondContact O-OG 3Å; N118-S137 WeakPolarHBondContact CA-OG 3.47Å; N118-T138 PolarHBondContact ND2-N 2.84Å; N118-T138 PolarHBondContact ND2-O 3.37Å; N118-I162 HydrophobicContact CB-CD1 4.49Å
119K62.4Low68.4Low117 Ų11762.2 Ų62.251%0.50933%0.326SS..Hα-helixtrans-83.8-26.6178.2-166.9172.4179.7-176.40114.2V115 A116 Q117 S122 L123V115-K119 PolarHBondContact O-N 3.19Å; V115-K119 VanDerWaalsContact O-N 3.09Å; A116-K119 PolarHBondContact O-N 3.45Å; Q117-K119 PolarHBondContact O-N 3.03Å; K119-S122 WeakPolarHBondContact CA-OG 3.08Å; K119-L123 HydrophobicContact CG-CD1 4.01Å; K119-L123 WeakPolarHBondContact O-CB 3.35Å; K119-L123 WeakPolarHBondContact O-CD1 3.36Å; K119-L123 WeakPolarHBondContact O-CG 3.45Å
120I61.6Low66.5Low29 Ų2965.5 Ų65.515%0.14935%0.345CS..Hα-helixtrans-71-53.1173.5-68.9163.5000108.9A116 Q117 S122 L123 N124 L125A116-I120 WeakPolarHBondContact O-CG1 3.2Å; A116-I120 PolarHBondContact O-N 3.41Å; Q117-I120 PolarHBondContact O-N 2.7Å; I120-S122 PolarHBondContact O-N 3.13Å; I120-L123 PolarHBondContact O-N 3.44Å; I120-N124 PolarHBondContact O-N 3.43Å; I120-N124 VanDerWaalsContact O-N 3.1Å; I120-L125 HydrophobicContact CG2-CB 4.19Å; I120-L125 PolarHBondContact O-N 2.96Å; I120-L125 VanDerWaalsContact O-N 3.15Å
121D57.6Low64.9Low32 Ų3268.5 Ų68.517%0.17137%0.366CS..Hα-helixtrans-55.9-51.5179.1-61.821.8000111.3Q117 L123 N124 S137Q117-D121 PolarHBondContact NE2-OD1 3.41Å; Q117-D121 PolarHBondContact O-N 2.66Å; D121-L123 PolarHBondContact O-N 2.76Å; D121-L123 VanDerWaalsContact O-N 3.12Å; D121-N124 PolarHBondContact O-N 3.15Å; D121-N124 VanDerWaalsContact O-N 3.07Å; D121-S137 WeakPolarHBondContact CB-OG 3.29Å; D121-S137 WeakPolarHBondContact OD2-CB 3.41Å; D121-S137 PolarHBondContact OD2-N 3.43Å; D121-S137 PolarHBondContact OD2-OG 2.7Å
122S57.8Low62.5Low86 Ų8674.1 Ų74.160%0.60140%0.4SS*.THydrogen-bonded Turntrans-67.8-11.7-177.556.80000115N118 K119 I120N118-S122 VanDerWaalsContact O-CB 3.28Å; N118-S122 WeakPolarHBondContact O-CB 3.32Å; N118-S122 PolarHBondContact O-N 3.19Å; N118-S122 PolarHBondContact O-OG 3Å; K119-S122 WeakPolarHBondContact CA-OG 3.08Å; I120-S122 PolarHBondContact O-N 3.13Å
123L58.5Low60.8Low98 Ų9874.6 Ų74.651%0.51340%0.403SS..THydrogen-bonded Turntrans-108.8-0.9174.9-64.9176.5000113K119 I120 D121 L125K119-L123 HydrophobicContact CG-CD1 4.01Å; K119-L123 WeakPolarHBondContact O-CB 3.35Å; K119-L123 WeakPolarHBondContact O-CD1 3.36Å; K119-L123 WeakPolarHBondContact O-CG 3.45Å; I120-L123 PolarHBondContact O-N 3.44Å; D121-L123 PolarHBondContact O-N 2.76Å; D121-L123 VanDerWaalsContact O-N 3.12Å; L123-L125 HydrophobicContact CB-CD1 3.72Å; L123-L125 HydrophobicContact CB-CG 3.74Å; L123-L125 HydrophobicContact CD1-CD1 3.74Å; L123-L125 HydrophobicContact CG-CD1 4.38Å; L123-L125 PolarHBondContact O-N 2.96Å
124N55.8Low59.5Low130 Ų13081.3 Ų81.370%0.69543%0.433SS*.THydrogen-bonded Turntrans50.442.7-172.1-54.2-93.4000112.2I120 D121 D126I120-N124 PolarHBondContact O-N 3.43Å; I120-N124 VanDerWaalsContact O-N 3.1Å; D121-N124 PolarHBondContact O-N 3.15Å; D121-N124 VanDerWaalsContact O-N 3.07Å; N124-D126 PolarHBondContact O-N 3.43Å
125L56.1Low58.2Low58 Ų5884.4 Ų84.430%0.30445%0.449SS..THydrogen-bonded Turntrans-80.34.2-173.8-83.3169.3000114.5I120 L123 E127 F128 C129I120-L125 HydrophobicContact CG2-CB 4.19Å; I120-L125 PolarHBondContact O-N 2.96Å; I120-L125 VanDerWaalsContact O-N 3.15Å; L123-L125 HydrophobicContact CB-CD1 3.72Å; L123-L125 HydrophobicContact CB-CG 3.74Å; L123-L125 HydrophobicContact CD1-CD1 3.74Å; L123-L125 HydrophobicContact CG-CD1 4.38Å; L123-L125 PolarHBondContact O-N 2.96Å; L125-E127 VanDerWaalsContact C-N 3.27Å; L125-E127 PolarHBondContact O-N 3.44Å; L125-F128 HydrophobicContact CD2-CB 3.98Å; L125-F128 HydrophobicContact CD2-CD2 4.28Å; L125-F128 HydrophobicContact CD2-CG 4.28Å; L125-F128 WeakPolarHBondContact O-CA 3.21Å; L125-F128 WeakPolarHBondContact O-CB 3.22Å; L125-F128 PolarHBondContact O-N 3.23Å; L125-C129 PolarHBondContact O-N 3.48Å
126D55.6Low57.3Low56 Ų5686 Ų8630%0.29946%0.46SS..Hα-helixtrans-55.8-40.4-176-52.4-59.6000112.7N124 F128 C129 N130N124-D126 PolarHBondContact O-N 3.43Å; D126-F128 VanDerWaalsContact C-N 3.26Å; D126-F128 PolarHBondContact O-N 3.24Å; D126-C129 PolarHBondContact O-N 2.93Å; D126-N130 PolarHBondContact O-N 3.38Å
127E51.1Low57.3Low185 Ų18585.5 Ų85.586%0.86445%0.454SS*.Hα-helixtrans-66.4-24.7177-168174-138.700112.9L125L125-E127 VanDerWaalsContact C-N 3.27Å; L125-E127 PolarHBondContact O-N 3.44Å
128F51.3Low58.4Low180 Ų18084.3 Ų84.379%0.78945%0.448SS*.Hα-helixtrans-89.1-31.9175-96.2-87.3000113.4L125 D126L125-F128 HydrophobicContact CD2-CB 3.98Å; L125-F128 HydrophobicContact CD2-CD2 4.28Å; L125-F128 HydrophobicContact CD2-CG 4.28Å; L125-F128 WeakPolarHBondContact O-CA 3.21Å; L125-F128 WeakPolarHBondContact O-CB 3.22Å; L125-F128 PolarHBondContact O-N 3.23Å; D126-F128 VanDerWaalsContact C-N 3.26Å; D126-F128 PolarHBondContact O-N 3.24Å
129C54.3Low59.9Low64 Ų6483.5 Ų83.543%0.43244%0.444SS..Hα-helixtrans-90.3-12.1-176.9-710000113.7L125 D126 C131L125-C129 PolarHBondContact O-N 3.48Å; D126-C129 PolarHBondContact O-N 2.93Å; C129-C131 PolarHBondContact O-N 3.5Å
130N48.6Very low61.5Low134 Ų13477.9 Ų77.972%0.71742%0.42SS*.THydrogen-bonded Turntrans5736179.3-159.145.1000112.5D126 T132D126-N130 PolarHBondContact O-N 3.38Å; N130-T132 PolarHBondContact O-N 3Å
131C55.7Low63.2Low64 Ų6476.5 Ų76.543%0.43241%0.413SS..  trans-76.6118178.9-65.20000109.9C129 D133C129-C131 PolarHBondContact O-N 3.5Å; C131-D133 VanDerWaalsContact C-N 3.3Å; C131-D133 PolarHBondContact O-N 3.49Å
132T41.9Very low65.1Low117 Ų11775 Ų7572%0.71840%0.404SS*.SBendtrans-72.8-21-177.144.10000114.3N130N130-T132 PolarHBondContact O-N 3Å
133D53.2Low66.9Low111 Ų11170.9 Ų70.959%0.59438%0.376SS*.SBendtrans-126.1124.1-172.5-58.9-84.4000109.9C131 I135C131-D133 VanDerWaalsContact C-N 3.3Å; C131-D133 PolarHBondContact O-N 3.49Å; D133-I135 PolarHBondContact O-N 3.33Å
134H55.8Low68.7Low150 Ų15066.2 Ų66.269%0.69435%0.351SS*.  trans-76.192.7176-1749.6000109.4P136H134-P136 WeakPolarHBondContact O-CD 3.36Å
135I58.6Low70.5Confident65 Ų6560.4 Ų60.433%0.33332%0.321SS..PPolyproline II helixtrans-79123.5176.3-59.4173.6000108.5L33 Q117 D133L33-I135 HydrophobicContact CD1-CG2 4.17Å; Q117-I135 HydrophobicContact CG-CG2 4.27Å; Q117-I135 PolarHBondContact NE2-O 3.48Å; D133-I135 PolarHBondContact O-N 3.33Å
136P66.1Low72.3Confident44 Ų4458.8 Ų58.829%0.28632%0.318SS..PPolyproline II helixtrans-62.2142.2178.5-23.732.9000113.6L33 H134L33-P136 HydrophobicContact CB-CB 4.45Å; L33-P136 HydrophobicContact CD1-CB 4.15Å; L33-P136 HydrophobicContact CD1-CG 4.25Å; L33-P136 HydrophobicContact CG-CB 4.02Å; L33-P136 HydrophobicContact CG-CG 4.19Å; H134-P136 WeakPolarHBondContact O-CD 3.36Å
137S76.1Confident74.3Confident26 Ų2656.2 Ų56.218%0.18231%0.305CS..PPolyproline II helixtrans-49.6140.6165.1-81.30000113.1N118 D121 I139N118-S137 WeakPolarHBondContact CA-OG 3.47Å; D121-S137 WeakPolarHBondContact CB-OG 3.29Å; D121-S137 WeakPolarHBondContact OD2-CB 3.41Å; D121-S137 PolarHBondContact OD2-N 3.43Å; D121-S137 PolarHBondContact OD2-OG 2.7Å; S137-I139 PolarHBondContact O-N 3.23Å
138T87.6Confident76.3Confident1 Ų147.9 Ų47.91%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-79.3109.7173.9-58.60000109.6F114 N118 A140 V141F114-T138 HydrophobicContact CB-CG2 4.08Å; F114-T138 HydrophobicContact CD1-CG2 3.83Å; F114-T138 HydrophobicContact CE1-CG2 4.48Å; F114-T138 HydrophobicContact CG-CG2 4.02Å; N118-T138 PolarHBondContact ND2-N 2.84Å; N118-T138 PolarHBondContact ND2-O 3.37Å; T138-A140 WeakPolarHBondContact CG2-O 3.3Å; T138-V141 HydrophobicContact CG2-CG2 4.17Å
139I91.9Very high78.5Confident6 Ų639.5 Ų39.53%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-85.3-18.3-169.660.8139000114.7I32 L33 L34 S137 P163 L416 I440 A442 V445I32-I139 HydrophobicContact CG2-CD1 3.26Å; I32-I139 HydrophobicContact CG2-CG1 3.53Å; I32-I139 HydrophobicContact CG2-CG2 4.37Å; L33-I139 WeakPolarHBondContact O-CG1 3.22Å; L33-I139 PolarHBondContact O-N 3.43Å; L33-I139 VanDerWaalsContact O-N 3.12Å; L34-I139 HydrophobicContact CD2-CD1 3.88Å; L34-I139 HydrophobicContact CD2-CG1 3.84Å; S137-I139 PolarHBondContact O-N 3.23Å; I139-P163 VanDerWaalsContact O-CD 3.27Å; I139-P163 WeakPolarHBondContact O-CD 3.42Å; I139-P163 WeakPolarHBondContact O-CG 3.48Å; I139-L416 HydrophobicContact CD1-CD1 3.98Å; I139-L416 HydrophobicContact CD1-CD2 3.92Å; I139-L416 HydrophobicContact CD1-CG 4.4Å; I139-I440 HydrophobicContact CG2-CG2 4.04Å; I139-A442 WeakPolarHBondContact O-CA 3.46Å; I139-A442 WeakPolarHBondContact O-CB 3.37Å; I139-V445 HydrophobicContact CD1-CG2 4.09Å
140A96.1Very high80.5Confident0 Ų036.5 Ų36.50%021%0.211CC..EExtended strand (participates in β ladder)trans-162.6155.1-177.500000109.4L34 G35 T138 P163 I412L34-A140 HydrophobicContact CD2-CB 4.26Å; G35-A140 PolarHBondContact N-O 3.05Å; T138-A140 WeakPolarHBondContact CG2-O 3.3Å; A140-P163 CarbonylContact C-O 3.48Å; A140-P163 WeakPolarHBondContact CA-O 3.46Å; A140-P163 HydrophobicContact CB-CG 3.84Å; A140-I412 HydrophobicContact CB-CD1 3.86Å; A140-I412 HydrophobicContact CB-CG1 4.23Å; A140-I412 HydrophobicContact CB-CG2 4.16Å
141V97.8Very high82.8Confident0 Ų030.4 Ų30.40%018%0.179CC..EExtended strand (participates in β ladder)trans-127.3130.2179.1-178.90000110.6G35 L37 F114 T138 L157 I162 P163 Q164 I165G35-V141 CarbonylContact O-C 3.59Å; G35-V141 WeakPolarHBondContact O-CA 3.49Å; L37-V141 HydrophobicContact CD1-CG1 3.87Å; L37-V141 HydrophobicContact CG-CG1 4.02Å; F114-V141 HydrophobicContact CD2-CG1 4.38Å; F114-V141 HydrophobicContact CD2-CG2 3.75Å; F114-V141 HydrophobicContact CE2-CG1 3.93Å; F114-V141 HydrophobicContact CE2-CG2 4.06Å; F114-V141 HydrophobicContact CG-CG2 4.33Å; T138-V141 HydrophobicContact CG2-CG2 4.17Å; V141-L157 HydrophobicContact CB-CD1 3.84Å; V141-L157 HydrophobicContact CG1-CD1 4.26Å; V141-L157 HydrophobicContact CG2-CD1 3.73Å; V141-L157 HydrophobicContact CG2-CD2 4.19Å; V141-I162 HydrophobicContact CG2-CG2 4.12Å; V141-P163 PolarHBondContact N-O 3.29Å; V141-Q164 CarbonylContact O-C 3.56Å; V141-Q164 WeakPolarHBondContact O-CA 3.45Å; V141-I165 PolarHBondContact O-N 2.78Å
142V98.4Very high84.7Confident0 Ų028.3 Ų28.30%017%0.166CC..EExtended strand (participates in β ladder)trans-96.7126.4172.9178.70000109.3G35 L37 F38 M74 I165 Y167 A408 V409 I412G35-V142 PolarHBondContact O-N 2.86Å; L37-V142 PolarHBondContact N-O 2.87Å; F38-V142 HydrophobicContact CZ-CG1 4.11Å; M74-V142 HydrophobicContact CE-CG2 4.4Å; M74-V142 HydrophobicContact SD-CB 3.91Å; M74-V142 HydrophobicContact SD-CG1 4.31Å; M74-V142 HydrophobicContact SD-CG2 4.26Å; V142-I165 WeakPolarHBondContact CA-O 3.44Å; V142-Y167 HydrophobicContact CG1-CD1 3.8Å; V142-Y167 HydrophobicContact CG1-CE1 4.18Å; V142-A408 HydrophobicContact CG1-CB 4.15Å; V142-V409 HydrophobicContact CG2-CG2 4.18Å; V142-I412 HydrophobicContact CG2-CD1 3.71Å
143G95.6Very high87.3Confident0 Ų022.7 Ų22.70%013%0.131CC..  trans105.5-162.7-173.100000113.5Q164 I165G143-Q164 WeakPolarHBondContact O-CG 3.47Å; G143-Q164 PolarHBondContact O-NE2 3.46Å; G143-I165 PolarHBondContact N-O 2.93Å
144A95.6Very high89.4Confident0 Ų017.4 Ų17.40%010%0.103CC..  cis-71.1-178.5-11.400000111.6L37 T100 V149 S150 S166 S169L37-A144 HydrophobicContact CB-CB 4.12Å; L37-A144 HydrophobicContact CD1-CB 4.49Å; T100-A144 HydrophobicContact CG2-CB 4.17Å; A144-V149 HydrophobicContact CB-CB 4.06Å; A144-V149 HydrophobicContact CB-CG1 3.58Å; A144-S150 PolarHBondContact N-OG 2.81Å; A144-S150 PolarHBondContact O-OG 3.11Å; A144-S166 PolarHBondContact O-OG 3.43Å; A144-S169 PolarHBondContact O-OG 3.37Å
145A93.7Very high91.2Very high7 Ų713.4 Ų13.46%0.0589%0.087CC..SBendtrans-81.1-67.817900000113.2P39 W70 Y167 A168 S169P39-A145 HydrophobicContact CG-CB 3.77Å; W70-A145 HydrophobicContact CZ3-CB 4.16Å; A145-Y167 HydrophobicContact CB-CE2 3.82Å; A145-A168 HydrophobicContact CB-CB 4.2Å; A145-A168 CarbonylContact O-C 3.54Å; A145-S169 WeakPolarHBondContact O-CA 3.33Å; A145-S169 PolarHBondContact O-N 3.24Å; A145-S169 PolarHBondContact O-OG 3.43Å
146G93.9Very high92.9Very high24 Ų2411.9 Ų11.925%0.2478%0.079CC..SBendtrans-68.8144.6-178.300000113.3V149 S150 S169G146-V149 WeakPolarHBondContact O-CB 3.39Å; G146-V149 PolarHBondContact O-N 3.14Å; G146-S150 PolarHBondContact O-N 2.79Å; G146-S169 PolarHBondContact O-OG 3.5Å
147S96.2Very high94.2Very high2 Ų29.8 Ų9.81%0.0147%0.065CC..Hα-helixtrans-69.3-35.7-172.6-560000113.8S150 T151 S170 S171S147-S150 PolarHBondContact O-N 2.99Å; S147-T151 VanDerWaalsContact O-CB 3.3Å; S147-T151 WeakPolarHBondContact O-CB 3.33Å; S147-T151 PolarHBondContact O-N 3.36Å; S147-T151 PolarHBondContact O-OG1 3.22Å; S147-S170 PolarHBondContact OG-N 2.88Å; S147-S171 VanDerWaalsContact CB-CB 3.41Å; S147-S171 WeakPolarHBondContact OG-CB 3.24Å; S147-S171 PolarHBondContact OG-N 3.32Å
148A94.8Very high95Very high11 Ų119 Ų99%0.0916%0.062CC..Hα-helixtrans-55.5-50.1169.700000112.1V104 S150 T151 A152 D216 E217V104-A148 HydrophobicContact CG2-CB 4.47Å; A148-S150 PolarHBondContact O-N 3.02Å; A148-T151 WeakPolarHBondContact O-CB 3.42Å; A148-T151 PolarHBondContact O-N 3.39Å; A148-A152 PolarHBondContact O-N 3.33Å; A148-D216 HydrophobicContact CB-CB 4.03Å; A148-D216 WeakPolarHBondContact CB-OD2 3.49Å; A148-E217 WeakPolarHBondContact CA-OE2 3.39Å; A148-E217 WeakPolarHBondContact CB-OE2 3.48Å
149V95.9Very high95.1Very high4 Ų415 Ų152%0.0249%0.093CC..Hα-helixtrans-59.5-50177.8-170.30000110.7T100 A107 A144 G146 T151 A152 V153T100-V149 HydrophobicContact CG2-CG1 4.23Å; A107-V149 HydrophobicContact CB-CG1 3.2Å; A144-V149 HydrophobicContact CB-CB 4.06Å; A144-V149 HydrophobicContact CB-CG1 3.58Å; G146-V149 WeakPolarHBondContact O-CB 3.39Å; G146-V149 PolarHBondContact O-N 3.14Å; V149-T151 VanDerWaalsContact C-N 3.29Å; V149-T151 PolarHBondContact O-N 2.95Å; V149-A152 PolarHBondContact O-N 3.39Å; V149-V153 VanDerWaalsContact O-CG2 3.24Å; V149-V153 WeakPolarHBondContact O-CG2 3.34Å; V149-V153 PolarHBondContact O-N 3.32Å; V149-V153 VanDerWaalsContact O-N 3.1Å
150S97.4Very high95Very high0 Ų018.3 Ų18.30%011%0.107CC..Hα-helixtrans-64-30.3177-78.40000113.7A144 G146 S147 A148 V153 A154 Q164 S169A144-S150 PolarHBondContact N-OG 2.81Å; A144-S150 PolarHBondContact O-OG 3.11Å; G146-S150 PolarHBondContact O-N 2.79Å; S147-S150 PolarHBondContact O-N 2.99Å; A148-S150 PolarHBondContact O-N 3.02Å; S150-V153 PolarHBondContact O-N 3.06Å; S150-A154 WeakPolarHBondContact O-CB 3.2Å; S150-A154 PolarHBondContact O-N 3.46Å; S150-Q164 PolarHBondContact OG-NE2 3.42Å; S150-S169 WeakPolarHBondContact CB-OG 3.39Å; S150-S169 PolarHBondContact OG-OG 3.31Å
151T96.6Very high94.7Very high7 Ų723.8 Ų23.84%0.04313%0.129CC..Hα-helixtrans-64.8-46.5177.3-65.50000111.2S147 A148 V149 N155 Y180 E217S147-T151 VanDerWaalsContact O-CB 3.3Å; S147-T151 WeakPolarHBondContact O-CB 3.33Å; S147-T151 PolarHBondContact O-N 3.36Å; S147-T151 PolarHBondContact O-OG1 3.22Å; A148-T151 WeakPolarHBondContact O-CB 3.42Å; A148-T151 PolarHBondContact O-N 3.39Å; V149-T151 VanDerWaalsContact C-N 3.29Å; V149-T151 PolarHBondContact O-N 2.95Å; T151-N155 PolarHBondContact O-N 3.06Å; T151-N155 PolarHBondContact O-ND2 3.09Å; T151-Y180 HydrophobicContact CG2-CE1 4.01Å; T151-Y180 WeakPolarHBondContact CG2-OH 3.24Å; T151-E217 HydrophobicContact CG2-CG 4.45Å
152A95.9Very high94.6Very high19 Ų1923.8 Ų23.816%0.15713%0.129CC..Hα-helixtrans-65-45.2175.100000112.4V104 L108 A148 V149 N155 L156V104-A152 HydrophobicContact CG1-CB 3.53Å; V104-A152 HydrophobicContact CG2-CB 4.4Å; L108-A152 HydrophobicContact CD1-CB 4.24Å; L108-A152 HydrophobicContact CD2-CB 4.15Å; L108-A152 HydrophobicContact CG-CB 4.21Å; A148-A152 PolarHBondContact O-N 3.33Å; V149-A152 PolarHBondContact O-N 3.39Å; A152-N155 PolarHBondContact O-N 3.05Å; A152-L156 PolarHBondContact O-N 2.95Å
153V96.8Very high94.5Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-62.4-43.8178.71730000111.7L37 A107 T111 V149 S150 N155 L156 L157L37-V153 HydrophobicContact CD1-CB 4.5Å; L37-V153 HydrophobicContact CD1-CG1 3.73Å; L37-V153 HydrophobicContact CD1-CG2 3.98Å; A107-V153 HydrophobicContact CB-CG2 3.8Å; T111-V153 HydrophobicContact CG2-CG1 4.12Å; V149-V153 VanDerWaalsContact O-CG2 3.24Å; V149-V153 WeakPolarHBondContact O-CG2 3.34Å; V149-V153 PolarHBondContact O-N 3.32Å; V149-V153 VanDerWaalsContact O-N 3.1Å; S150-V153 PolarHBondContact O-N 3.06Å; V153-N155 PolarHBondContact O-N 3.42Å; V153-L156 PolarHBondContact O-N 2.96Å; V153-L156 VanDerWaalsContact O-N 3.13Å; V153-L157 HydrophobicContact CG1-CD1 3.6Å; V153-L157 HydrophobicContact CG1-CG 4.1Å; V153-L157 PolarHBondContact O-N 3.11Å
154A96.5Very high94.5Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-66-35.3-178.700000112.9S150 L156 G158 Q164 L174 Y180 F183S150-A154 WeakPolarHBondContact O-CB 3.2Å; S150-A154 PolarHBondContact O-N 3.46Å; A154-L156 VanDerWaalsContact C-N 3.32Å; A154-G158 WeakPolarHBondContact O-CA 3.44Å; A154-G158 PolarHBondContact O-N 3.37Å; A154-Q164 VanDerWaalsContact N-OE1 3.16Å; A154-L174 HydrophobicContact CB-CD2 4.43Å; A154-Y180 HydrophobicContact CB-CD1 3.72Å; A154-Y180 HydrophobicContact CB-CE1 4.49Å; A154-F183 HydrophobicContact CB-CB 4.04Å; A154-F183 HydrophobicContact CB-CD2 4.07Å; A154-F183 HydrophobicContact CB-CG 4.41Å
155N94.2Very high94.6Very high66 Ų6623.8 Ų23.835%0.35313%0.129SC..Hα-helixtrans-62-39.9172.8-77.1-50.2000111.3T151 A152 V153T151-N155 PolarHBondContact O-N 3.06Å; T151-N155 PolarHBondContact O-ND2 3.09Å; A152-N155 PolarHBondContact O-N 3.05Å; V153-N155 PolarHBondContact O-N 3.42Å
156L93.2Very high94.8Very high32 Ų3223.4 Ų23.417%0.16813%0.126CC..Hα-helixtrans-76.2-50.6179.7178.453.5000112.6L108 T111 L112 V115 A152 V153 A154 G158 L159 F160L108-L156 HydrophobicContact CD2-CB 4.41Å; L108-L156 HydrophobicContact CD2-CD2 4.07Å; T111-L156 HydrophobicContact CG2-CB 4.22Å; T111-L156 HydrophobicContact CG2-CD2 3.62Å; T111-L156 HydrophobicContact CG2-CG 3.9Å; L112-L156 HydrophobicContact CD2-CD2 3.92Å; L112-L156 HydrophobicContact CG-CD2 3.99Å; V115-L156 HydrophobicContact CG2-CD1 4.46Å; V115-L156 HydrophobicContact CG2-CG 4.23Å; A152-L156 PolarHBondContact O-N 2.95Å; V153-L156 PolarHBondContact O-N 2.96Å; V153-L156 VanDerWaalsContact O-N 3.13Å; A154-L156 VanDerWaalsContact C-N 3.32Å; L156-G158 VanDerWaalsContact C-N 3.26Å; L156-G158 PolarHBondContact O-N 3.13Å; L156-L159 WeakPolarHBondContact O-CB 3.5Å; L156-L159 PolarHBondContact O-N 3.35Å; L156-F160 HydrophobicContact CD1-CE2 4.37Å
157L94Very high94.8Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-63.9-31.9178.2-67.5178.7000112.4T111 V115 V141 V153 L159 F160 Y161 I162 Q164T111-L157 HydrophobicContact CG2-CD1 4.42Å; T111-L157 HydrophobicContact CG2-CD2 3.66Å; T111-L157 HydrophobicContact CG2-CG 3.72Å; V115-L157 HydrophobicContact CG2-CD2 4.03Å; V141-L157 HydrophobicContact CB-CD1 3.84Å; V141-L157 HydrophobicContact CG1-CD1 4.26Å; V141-L157 HydrophobicContact CG2-CD1 3.73Å; V141-L157 HydrophobicContact CG2-CD2 4.19Å; V153-L157 HydrophobicContact CG1-CD1 3.6Å; V153-L157 HydrophobicContact CG1-CG 4.1Å; V153-L157 PolarHBondContact O-N 3.11Å; L157-L159 VanDerWaalsContact C-N 3.26Å; L157-L159 PolarHBondContact O-N 3.1Å; L157-F160 CarbonylContact O-C 3.45Å; L157-F160 PolarHBondContact O-N 3.39Å; L157-F160 VanDerWaalsContact O-N 3.09Å; L157-Y161 PolarHBondContact O-N 3.49Å; L157-Y161 VanDerWaalsContact O-N 3.11Å; L157-I162 HydrophobicContact CB-CB 4.27Å; L157-I162 HydrophobicContact CD2-CB 4.02Å; L157-I162 HydrophobicContact CD2-CD1 3.93Å; L157-I162 HydrophobicContact CD2-CG2 4.05Å; L157-I162 PolarHBondContact O-N 3.27Å; L157-I162 VanDerWaalsContact O-N 3.14Å; L157-Q164 HydrophobicContact CD1-CB 3.93Å; L157-Q164 HydrophobicContact CD1-CG 4.17Å
158G92.5Very high94.7Very high10 Ų1023.1 Ų23.110%0.10312%0.121CC..Hα-helixtrans-63.6-24.2177.600000114.8A154 L156 F160 S182A154-G158 WeakPolarHBondContact O-CA 3.44Å; A154-G158 PolarHBondContact O-N 3.37Å; L156-G158 VanDerWaalsContact C-N 3.26Å; L156-G158 PolarHBondContact O-N 3.13Å; G158-F160 VanDerWaalsContact C-N 3.29Å; G158-S182 WeakPolarHBondContact CA-OG 3.32Å; G158-S182 PolarHBondContact N-OG 3.32Å
159L90.7Very high94.7Very high126 Ų12622.6 Ų22.666%0.6612%0.117SC*.Hα-helixtrans-68.6-30173.2-64.5173.4000112.4L156 L157L156-L159 WeakPolarHBondContact O-CB 3.5Å; L156-L159 PolarHBondContact O-N 3.35Å; L157-L159 VanDerWaalsContact C-N 3.26Å; L157-L159 PolarHBondContact O-N 3.1Å
160F88.3Confident94.7Very high77 Ų7722.5 Ų22.534%0.33812%0.116SC..THydrogen-bonded Turntrans-105.25.8-177.5-61.2-89.3000112.3V115 L156 L157 G158 I162V115-F160 HydrophobicContact CG1-CD1 4.29Å; V115-F160 HydrophobicContact CG1-CD2 3.63Å; V115-F160 HydrophobicContact CG1-CE1 3.98Å; V115-F160 HydrophobicContact CG1-CE2 3.3Å; V115-F160 HydrophobicContact CG1-CG 4.14Å; V115-F160 HydrophobicContact CG1-CZ 3.49Å; V115-F160 VanDerWaalsContact CG1-CZ 3.49Å; V115-F160 HydrophobicContact CG2-CD2 4.04Å; V115-F160 HydrophobicContact CG2-CE2 4.39Å; L156-F160 HydrophobicContact CD1-CE2 4.37Å; L157-F160 CarbonylContact O-C 3.45Å; L157-F160 PolarHBondContact O-N 3.39Å; L157-F160 VanDerWaalsContact O-N 3.09Å; G158-F160 VanDerWaalsContact C-N 3.29Å; F160-I162 HydrophobicContact CB-CD1 3.9Å; F160-I162 HydrophobicContact CB-CG1 3.95Å; F160-I162 PolarHBondContact O-N 3.04Å; F160-I162 VanDerWaalsContact O-N 3.13Å
161Y91.2Very high94.6Very high114 Ų11422.5 Ų22.545%0.44712%0.117SC..THydrogen-bonded Turntrans54.623.5-175.6-62.9-88.9000114.4L157 P163 K181 W443 L446L157-Y161 PolarHBondContact O-N 3.49Å; L157-Y161 VanDerWaalsContact O-N 3.11Å; Y161-P163 WeakPolarHBondContact O-CD 3.36Å; Y161-K181 HydrophobicContact CE1-CD 4.32Å; Y161-W443 HydrophobicContact CG-CB 4.49Å; Y161-L446 HydrophobicContact CD1-CD2 4.36Å; Y161-L446 WeakPolarHBondContact O-CD2 3.04Å
162I94.6Very high94.4Very high0 Ų025 Ų250%013%0.125CC..  trans-72.5119177.5-60.9167.1000108.1V115 N118 V141 L157 F160 Q164 S182 A442V115-I162 HydrophobicContact CG2-CD1 4.26Å; N118-I162 HydrophobicContact CB-CD1 4.49Å; V141-I162 HydrophobicContact CG2-CG2 4.12Å; L157-I162 HydrophobicContact CB-CB 4.27Å; L157-I162 HydrophobicContact CD2-CB 4.02Å; L157-I162 HydrophobicContact CD2-CD1 3.93Å; L157-I162 HydrophobicContact CD2-CG2 4.05Å; L157-I162 PolarHBondContact O-N 3.27Å; L157-I162 VanDerWaalsContact O-N 3.14Å; F160-I162 HydrophobicContact CB-CD1 3.9Å; F160-I162 HydrophobicContact CB-CG1 3.95Å; F160-I162 PolarHBondContact O-N 3.04Å; F160-I162 VanDerWaalsContact O-N 3.13Å; I162-Q164 PolarHBondContact O-N 3.5Å; I162-S182 WeakPolarHBondContact O-CB 3.27Å; I162-S182 PolarHBondContact O-OG 2.8Å; I162-A442 HydrophobicContact CB-CB 4.26Å; I162-A442 HydrophobicContact CG1-CB 3.83Å; I162-A442 HydrophobicContact CG2-CB 4.46Å
163P96.1Very high94.3Very high0 Ų026.9 Ų26.90%013%0.132CC..  trans-64.8125.618023.8-30.1000110.6I139 A140 V141 Y161 S182 M184 A442 V445 L446 L449I139-P163 VanDerWaalsContact O-CD 3.27Å; I139-P163 WeakPolarHBondContact O-CD 3.42Å; I139-P163 WeakPolarHBondContact O-CG 3.48Å; A140-P163 CarbonylContact C-O 3.48Å; A140-P163 WeakPolarHBondContact CA-O 3.46Å; A140-P163 HydrophobicContact CB-CG 3.84Å; V141-P163 PolarHBondContact N-O 3.29Å; Y161-P163 WeakPolarHBondContact O-CD 3.36Å; P163-S182 WeakPolarHBondContact CA-O 3.34Å; P163-M184 HydrophobicContact CB-CE 3.66Å; P163-A442 VanDerWaalsContact CD-O 3.32Å; P163-A442 WeakPolarHBondContact CD-O 3.46Å; P163-V445 HydrophobicContact CG-CB 4.31Å; P163-V445 HydrophobicContact CG-CG1 4.32Å; P163-L446 HydrophobicContact CB-CB 3.95Å; P163-L446 HydrophobicContact CB-CD1 4Å; P163-L446 HydrophobicContact CG-CB 4.14Å; P163-L449 HydrophobicContact CB-CD1 3.8Å; P163-L449 HydrophobicContact CG-CD1 4.08Å
164Q97.2Very high94.2Very high0 Ų026.9 Ų26.90%013%0.132CC..EExtended strand (participates in β ladder)trans-106.7125.8172.1-176.1-173.3-14.300108.3V141 G143 S150 A154 L157 I162 S182 F183 M184V141-Q164 CarbonylContact O-C 3.56Å; V141-Q164 WeakPolarHBondContact O-CA 3.45Å; G143-Q164 WeakPolarHBondContact O-CG 3.47Å; G143-Q164 PolarHBondContact O-NE2 3.46Å; S150-Q164 PolarHBondContact OG-NE2 3.42Å; A154-Q164 VanDerWaalsContact N-OE1 3.16Å; L157-Q164 HydrophobicContact CD1-CB 3.93Å; L157-Q164 HydrophobicContact CD1-CG 4.17Å; I162-Q164 PolarHBondContact O-N 3.5Å; Q164-S182 PolarHBondContact N-O 3.24Å; Q164-F183 HydrophobicContact CB-CD2 4.45Å; Q164-F183 HydrophobicContact CG-CD2 4.19Å; Q164-M184 PolarHBondContact O-N 2.95Å
165I97.3Very high94Very high0 Ų027.9 Ų27.90%014%0.139CC..EExtended strand (participates in β ladder)trans-116.9104174-46-171.9000109.3V141 V142 G143 M184 T186 A408 I412 L449V141-I165 PolarHBondContact O-N 2.78Å; V142-I165 WeakPolarHBondContact CA-O 3.44Å; G143-I165 PolarHBondContact N-O 2.93Å; I165-M184 WeakPolarHBondContact CA-O 3.36Å; I165-M184 HydrophobicContact CD1-CE 4.33Å; I165-M184 HydrophobicContact CG1-CE 4.03Å; I165-T186 HydrophobicContact CG2-CG2 3.97Å; I165-A408 HydrophobicContact CB-CB 4.12Å; I165-A408 HydrophobicContact CG2-CB 3.64Å; I165-I412 HydrophobicContact CD1-CD1 4.07Å; I165-I412 HydrophobicContact CD1-CG1 3.59Å; I165-I412 HydrophobicContact CG1-CG1 4.48Å; I165-L449 HydrophobicContact CD1-CD1 4.08Å; I165-L449 HydrophobicContact CD1-CD2 3.87Å
166S96.8Very high93.9Very high0 Ų028.1 Ų28.10%014%0.14CC..EExtended strand (participates in β ladder)trans-81.1144173.5-178.70000111.9A144 A168 S169 M184 R185 T186A144-S166 PolarHBondContact O-OG 3.43Å; S166-A168 PolarHBondContact OG-N 3.47Å; S166-S169 VanDerWaalsContact OG-CB 3.27Å; S166-S169 WeakPolarHBondContact OG-CB 3.37Å; S166-S169 PolarHBondContact OG-N 2.87Å; S166-S169 PolarHBondContact OG-OG 3.03Å; S166-M184 PolarHBondContact N-O 3.15Å; S166-R185 WeakPolarHBondContact O-CA 3.5Å; S166-R185 WeakPolarHBondContact O-CB 3.44Å; S166-T186 PolarHBondContact O-N 2.9Å; S166-T186 PolarHBondContact O-OG1 3.17Å
167Y94.4Very high93.8Very high0 Ų028.2 Ų28.20%014%0.14CC..SBendtrans-101.8-3.5175.152.9-99.1000113.5L37 F38 W70 V142 A145 I187 I401 A405L37-Y167 PolarHBondContact O-OH 3.41Å; F38-Y167 WeakPolarHBondContact CA-OH 3.45Å; F38-Y167 AromaticContact CD1-CE1 3.77Å; F38-Y167 HydrophobicContact CD1-CE1 3.77Å; F38-Y167 HydrophobicContact CD1-CE2 4.31Å; F38-Y167 AromaticContact CD1-CZ 3.48Å; F38-Y167 VanDerWaalsContact CD1-CZ 3.48Å; F38-Y167 WeakPolarHBondContact CD1-OH 3.47Å; F38-Y167 HydrophobicContact CE1-CD1 4.1Å; F38-Y167 AromaticContact CE1-CE1 3.35Å; F38-Y167 HydrophobicContact CE1-CE1 3.35Å; F38-Y167 HydrophobicContact CE1-CE2 4.35Å; F38-Y167 AromaticContact CE1-CZ 3.53Å; F38-Y167 HydrophobicContact CZ-CD1 4.49Å; F38-Y167 AromaticContact CZ-CE1 3.83Å; F38-Y167 HydrophobicContact CZ-CE1 3.83Å; W70-Y167 HydrophobicContact CD2-CE2 4.49Å; W70-Y167 AromaticContact CE3-CE2 3.9Å; W70-Y167 HydrophobicContact CE3-CE2 3.9Å; V142-Y167 HydrophobicContact CG1-CD1 3.8Å; V142-Y167 HydrophobicContact CG1-CE1 4.18Å; A145-Y167 HydrophobicContact CB-CE2 3.82Å; Y167-I187 WeakPolarHBondContact O-CG2 3.33Å; Y167-I401 HydrophobicContact CD2-CG2 3.71Å; Y167-I401 HydrophobicContact CE2-CG2 4.24Å; Y167-A405 HydrophobicContact CD1-CB 4.04Å; Y167-A405 HydrophobicContact CG-CB 3.93Å
168A94.3Very high93.6Very high20 Ų2035 Ų3517%0.16518%0.176CC..SBendtrans-150-2.4-175.600000116.3A145 S166 S170 I187 I401A145-A168 HydrophobicContact CB-CB 4.2Å; A145-A168 CarbonylContact O-C 3.54Å; S166-A168 PolarHBondContact OG-N 3.47Å; A168-S170 PolarHBondContact O-N 3.45Å; A168-I187 VanDerWaalsContact C-CD1 3.45Å; A168-I401 HydrophobicContact CB-CG2 4.37Å
169S95.8Very high93.5Very high0 Ų038.9 Ų38.90%019%0.191CC..  trans-90.896.4-179.1-55.30000112.9A144 A145 G146 S150 S166 R185A144-S169 PolarHBondContact O-OG 3.37Å; A145-S169 WeakPolarHBondContact O-CA 3.33Å; A145-S169 PolarHBondContact O-N 3.24Å; A145-S169 PolarHBondContact O-OG 3.43Å; G146-S169 PolarHBondContact O-OG 3.5Å; S150-S169 WeakPolarHBondContact CB-OG 3.39Å; S150-S169 PolarHBondContact OG-OG 3.31Å; S166-S169 VanDerWaalsContact OG-CB 3.27Å; S166-S169 WeakPolarHBondContact OG-CB 3.37Å; S166-S169 PolarHBondContact OG-N 2.87Å; S166-S169 PolarHBondContact OG-OG 3.03Å; S169-R185 VanDerWaalsContact O-CD 3.25Å; S169-R185 WeakPolarHBondContact O-CD 3.46Å; S169-R185 PolarHBondContact O-NH1 2.93Å
170S94.5Very high93.7Very high1 Ų133.5 Ų33.51%0.00716%0.162CC..  trans-91.5-13.1-170.332.70000115.4S147 A168 R172 R185 T189 D190 Y218 E297S147-S170 PolarHBondContact OG-N 2.88Å; A168-S170 PolarHBondContact O-N 3.45Å; S170-R172 PolarHBondContact O-N 2.95Å; S170-R185 PolarHBondContact O-NH1 2.9Å; S170-T189 WeakPolarHBondContact O-CA 3.25Å; S170-T189 PolarHBondContact O-OG1 2.96Å; S170-T189 VanDerWaalsContact O-OG1 3.08Å; S170-D190 WeakPolarHBondContact CB-OD1 3.33Å; S170-D190 PolarHBondContact O-N 3.32Å; S170-D190 PolarHBondContact OG-OD1 3.12Å; S170-Y218 WeakPolarHBondContact OG-CE2 3.29Å; S170-E297 WeakPolarHBondContact CB-OE1 3.42Å; S170-E297 PolarHBondContact OG-OE1 2.9Å
171S95.7Very high93.9Very high1 Ų133.9 Ų33.91%0.00716%0.164CC..  trans-48.5134.1-176.3177.50000113.7S147 L173 L174 R185 D190 E217S147-S171 VanDerWaalsContact CB-CB 3.41Å; S147-S171 WeakPolarHBondContact OG-CB 3.24Å; S147-S171 PolarHBondContact OG-N 3.32Å; S171-L173 PolarHBondContact O-N 2.73Å; S171-L173 PolarHBondContact OG-N 3.03Å; S171-L174 PolarHBondContact O-N 2.87Å; S171-R185 PolarHBondContact O-NH1 2.66Å; S171-D190 WeakPolarHBondContact CA-OD2 3.48Å; S171-D190 PolarHBondContact N-OD2 3.11Å; S171-E217 VanDerWaalsContact CB-O 3.25Å; S171-E217 WeakPolarHBondContact CB-O 3.33Å; S171-E217 PolarHBondContact OG-O 2.96Å
172R92.9Very high94Very high58 Ų5828.4 Ų28.422%0.21914%0.142CC..G310 helixtrans-62.2-21.1177.763.5173.3170.296.14.9113.7S170 L174 S175 E191 P221 E224S170-R172 PolarHBondContact O-N 2.95Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.39Å; R172-S175 VanDerWaalsContact O-CB 3.3Å; R172-S175 WeakPolarHBondContact O-CB 3.43Å; R172-S175 PolarHBondContact O-N 3.44Å; R172-S175 PolarHBondContact O-OG 3.43Å; R172-E191 WeakPolarHBondContact CD-OE2 3.44Å; R172-P221 HydrophobicContact CG-CB 4.19Å; R172-P221 VanDerWaalsContact CZ-O 3.25Å; R172-P221 PolarHBondContact NE-O 3.43Å; R172-P221 PolarHBondContact NH2-O 2.76Å; R172-E224 IonicContact CZ-OE2 2.8Å; R172-E224 IonicContact NH2-OE1 3.81Å; R172-E224 PolarHBondContact NH2-OE1 3.39Å; R172-E224 IonicContact NH2-OE2 3.03Å; R172-E224 PolarHBondContact NH2-OE2 3.45Å
173L94.1Very high94.1Very high59 Ų5928.4 Ų28.431%0.30914%0.142SC..G310 helixtrans-63.7-39.8179.8-60.8-175.2000112.1S171 S175 N176 Y180 E217 P221S171-L173 PolarHBondContact O-N 2.73Å; S171-L173 PolarHBondContact OG-N 3.03Å; L173-S175 PolarHBondContact O-N 3.34Å; L173-S175 VanDerWaalsContact O-N 3.1Å; L173-N176 WeakPolarHBondContact O-CB 3.5Å; L173-N176 PolarHBondContact O-N 3.23Å; L173-N176 VanDerWaalsContact O-N 3.08Å; L173-Y180 VanDerWaalsContact O-CD2 3.27Å; L173-Y180 WeakPolarHBondContact O-CD2 3.31Å; L173-Y180 VanDerWaalsContact O-CE2 3.23Å; L173-Y180 WeakPolarHBondContact O-CE2 3.08Å; L173-E217 HydrophobicContact CD1-CB 4.18Å; L173-E217 HydrophobicContact CD1-CG 4.42Å; L173-P221 HydrophobicContact CD1-CB 4.39Å; L173-P221 HydrophobicContact CD1-CG 3.59Å; L173-P221 HydrophobicContact CD2-CB 4.29Å; L173-P221 HydrophobicContact CD2-CG 4.31Å; L173-P221 HydrophobicContact CG-CB 4.06Å; L173-P221 HydrophobicContact CG-CG 3.8Å
174L94.7Very high94Very high0 Ų028.5 Ų28.50%014%0.143CC..G310 helixtrans-67.2-11.3-176.7-66.5165.8000113.5A154 S171 R172 N176 K177 Y180 F183A154-L174 HydrophobicContact CB-CD2 4.43Å; S171-L174 PolarHBondContact O-N 2.87Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 3.39Å; L174-N176 VanDerWaalsContact C-N 3.3Å; L174-K177 PolarHBondContact O-NZ 3.38Å; L174-Y180 HydrophobicContact CD2-CD1 4.21Å; L174-Y180 HydrophobicContact CD2-CE1 4.4Å; L174-Y180 HydrophobicContact CD2-CG 4.26Å; L174-F183 HydrophobicContact CB-CD1 3.74Å; L174-F183 HydrophobicContact CB-CE1 3.59Å; L174-F183 HydrophobicContact CB-CG 4.4Å; L174-F183 HydrophobicContact CB-CZ 4.12Å; L174-F183 HydrophobicContact CD1-CE1 4.1Å; L174-F183 HydrophobicContact CD1-CE2 4.11Å; L174-F183 HydrophobicContact CD1-CZ 3.74Å; L174-F183 HydrophobicContact CD2-CD1 4.4Å; L174-F183 HydrophobicContact CD2-CD2 4.16Å; L174-F183 HydrophobicContact CD2-CE2 4.26Å; L174-F183 HydrophobicContact CD2-CG 4.24Å; L174-F183 HydrophobicContact CD2-CZ 4.44Å; L174-F183 HydrophobicContact CG-CE1 4.28Å; L174-F183 HydrophobicContact CG-CZ 4.32Å
175S92.3Very high93.9Very high21 Ų2128.5 Ų28.515%0.14714%0.143CC..G310 helixtrans-69.9-23.8172.3-42.50000112.6R172 L173 K177 R185R172-S175 VanDerWaalsContact O-CB 3.3Å; R172-S175 WeakPolarHBondContact O-CB 3.43Å; R172-S175 PolarHBondContact O-N 3.44Å; R172-S175 PolarHBondContact O-OG 3.43Å; L173-S175 PolarHBondContact O-N 3.34Å; L173-S175 VanDerWaalsContact O-N 3.1Å; S175-K177 WeakPolarHBondContact O-CE 3.14Å; S175-K177 WeakPolarHBondContact O-CG 3.49Å; S175-K177 PolarHBondContact O-N 2.97Å; S175-R185 PolarHBondContact OG-NH2 3.05Å
176N92.5Very high93.7Very high71 Ų7128.6 Ų28.638%0.3814%0.144SC..  trans-73.290-176.1178.810.6000112.7L173 L174 N178 Q179 Y180L173-N176 WeakPolarHBondContact O-CB 3.5Å; L173-N176 PolarHBondContact O-N 3.23Å; L173-N176 VanDerWaalsContact O-N 3.08Å; L174-N176 VanDerWaalsContact C-N 3.3Å; N176-N178 PolarHBondContact O-N 3.16Å; N176-N178 WeakPolarHBondContact OD1-CB 3.43Å; N176-N178 PolarHBondContact OD1-N 3.07Å; N176-Q179 PolarHBondContact O-N 3.17Å; N176-Q179 VanDerWaalsContact O-N 3.09Å; N176-Y180 HydrophobicContact CB-CD2 4.32Å; N176-Y180 PolarHBondContact O-N 3.46Å
177K89.4Confident93.4Very high35 Ų3528.6 Ų28.615%0.15214%0.144CC..THydrogen-bonded Turntrans-74.7-1.9-177.1-50.6-48.4173.4-1750115.6L174 S175 Q179 Y180 K181 F183 N467L174-K177 PolarHBondContact O-NZ 3.38Å; S175-K177 WeakPolarHBondContact O-CE 3.14Å; S175-K177 WeakPolarHBondContact O-CG 3.49Å; S175-K177 PolarHBondContact O-N 2.97Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-Y180 WeakPolarHBondContact CD-O 3.42Å; K177-K181 VanDerWaalsContact O-CG 3.25Å; K177-K181 WeakPolarHBondContact O-CG 3.27Å; K177-F183 PolarHBondContact NZ-O 3.12Å; K177-N467 WeakPolarHBondContact CE-O 3.19Å; K177-N467 PolarHBondContact NZ-O 3.39Å; K177-N467 VanDerWaalsContact NZ-O 3.11Å
178N90.1Very high93.2Very high142 Ų14228.9 Ų28.976%0.75915%0.145SC*.THydrogen-bonded Turntrans-70.1-34.9165.3-65.4-51.8000110.9N176 K181N176-N178 PolarHBondContact O-N 3.16Å; N176-N178 WeakPolarHBondContact OD1-CB 3.43Å; N176-N178 PolarHBondContact OD1-N 3.07Å; N178-K181 VanDerWaalsContact O-CE 3.23Å; N178-K181 WeakPolarHBondContact O-CE 3.31Å
179Q91.4Very high93Very high92 Ų9228.4 Ų28.443%0.4314%0.14SC..THydrogen-bonded Turntrans-94.1-64.4177.1-174.8172.33.400110.5N176 K177 K181N176-Q179 PolarHBondContact O-N 3.17Å; N176-Q179 VanDerWaalsContact O-N 3.09Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; Q179-K181 VanDerWaalsContact C-N 3.27Å; Q179-K181 PolarHBondContact O-N 2.97Å
180Y94.6Very high92.9Very high12 Ų1228.6 Ų28.65%0.04714%0.141CC..SBendtrans-86.759.6-173.5-51.4-69.3000112T151 A154 L173 L174 N176 K177 S182 F183T151-Y180 HydrophobicContact CG2-CE1 4.01Å; T151-Y180 WeakPolarHBondContact CG2-OH 3.24Å; A154-Y180 HydrophobicContact CB-CD1 3.72Å; A154-Y180 HydrophobicContact CB-CE1 4.49Å; L173-Y180 VanDerWaalsContact O-CD2 3.27Å; L173-Y180 WeakPolarHBondContact O-CD2 3.31Å; L173-Y180 VanDerWaalsContact O-CE2 3.23Å; L173-Y180 WeakPolarHBondContact O-CE2 3.08Å; L174-Y180 HydrophobicContact CD2-CD1 4.21Å; L174-Y180 HydrophobicContact CD2-CE1 4.4Å; L174-Y180 HydrophobicContact CD2-CG 4.26Å; N176-Y180 HydrophobicContact CB-CD2 4.32Å; N176-Y180 PolarHBondContact O-N 3.46Å; K177-Y180 WeakPolarHBondContact CD-O 3.42Å; Y180-S182 VanDerWaalsContact C-N 3.31Å; Y180-S182 PolarHBondContact O-N 3.48Å; Y180-F183 PolarHBondContact O-N 2.96Å
181K91.3Very high92.7Very high85 Ų8531.9 Ų31.937%0.3716%0.156SC..THydrogen-bonded Turntrans-56.4-37-169.6-70.9170.6-176.2173.80114.5Y161 K177 N178 Q179 R450Y161-K181 HydrophobicContact CE1-CD 4.32Å; K177-K181 VanDerWaalsContact O-CG 3.25Å; K177-K181 WeakPolarHBondContact O-CG 3.27Å; N178-K181 VanDerWaalsContact O-CE 3.23Å; N178-K181 WeakPolarHBondContact O-CE 3.31Å; Q179-K181 VanDerWaalsContact C-N 3.27Å; Q179-K181 PolarHBondContact O-N 2.97Å; K181-R450 PolarHBondContact O-NH2 3.03Å
182S94.3Very high92.4Very high0 Ų035.9 Ų35.90%017%0.172CC..THydrogen-bonded Turntrans-1041.7-177.468.40000114.4G158 I162 P163 Q164 Y180G158-S182 WeakPolarHBondContact CA-OG 3.32Å; G158-S182 PolarHBondContact N-OG 3.32Å; I162-S182 WeakPolarHBondContact O-CB 3.27Å; I162-S182 PolarHBondContact O-OG 2.8Å; P163-S182 WeakPolarHBondContact CA-O 3.34Å; Q164-S182 PolarHBondContact N-O 3.24Å; Y180-S182 VanDerWaalsContact C-N 3.31Å; Y180-S182 PolarHBondContact O-N 3.48Å
183F96.6Very high92.4Very high0 Ų033.1 Ų33.10%016%0.162CC..EExtended strand (participates in β ladder)trans-81.4133.5178.8-178-86.6000112.2A154 Q164 L174 K177 Y180 R185A154-F183 HydrophobicContact CB-CB 4.04Å; A154-F183 HydrophobicContact CB-CD2 4.07Å; A154-F183 HydrophobicContact CB-CG 4.41Å; Q164-F183 HydrophobicContact CB-CD2 4.45Å; Q164-F183 HydrophobicContact CG-CD2 4.19Å; L174-F183 HydrophobicContact CB-CD1 3.74Å; L174-F183 HydrophobicContact CB-CE1 3.59Å; L174-F183 HydrophobicContact CB-CG 4.4Å; L174-F183 HydrophobicContact CB-CZ 4.12Å; L174-F183 HydrophobicContact CD1-CE1 4.1Å; L174-F183 HydrophobicContact CD1-CE2 4.11Å; L174-F183 HydrophobicContact CD1-CZ 3.74Å; L174-F183 HydrophobicContact CD2-CD1 4.4Å; L174-F183 HydrophobicContact CD2-CD2 4.16Å; L174-F183 HydrophobicContact CD2-CE2 4.26Å; L174-F183 HydrophobicContact CD2-CG 4.24Å; L174-F183 HydrophobicContact CD2-CZ 4.44Å; L174-F183 HydrophobicContact CG-CE1 4.28Å; L174-F183 HydrophobicContact CG-CZ 4.32Å; K177-F183 PolarHBondContact NZ-O 3.12Å; Y180-F183 PolarHBondContact O-N 2.96Å; F183-R185 HydrophobicContact CE1-CB 4.09Å; F183-R185 HydrophobicContact CE1-CG 4.1Å; F183-R185 HydrophobicContact CZ-CB 4.16Å
184M95.1Very high92.4Very high1 Ų130.3 Ų30.31%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-142.8165.4177.9-51.2-175.5-73.200108.7P163 Q164 I165 S166 L446 L449 R450 F464 A468P163-M184 HydrophobicContact CB-CE 3.66Å; Q164-M184 PolarHBondContact O-N 2.95Å; I165-M184 WeakPolarHBondContact CA-O 3.36Å; I165-M184 HydrophobicContact CD1-CE 4.33Å; I165-M184 HydrophobicContact CG1-CE 4.03Å; S166-M184 PolarHBondContact N-O 3.15Å; M184-L446 HydrophobicContact CE-CD1 3.83Å; M184-L446 HydrophobicContact SD-CD1 3.94Å; M184-L449 HydrophobicContact CE-CB 3.55Å; M184-L449 HydrophobicContact CE-CD1 3.49Å; M184-L449 VanDerWaalsContact CE-CD1 3.49Å; M184-L449 HydrophobicContact CE-CG 4.03Å; M184-L449 HydrophobicContact SD-CB 3.9Å; M184-R450 HydrophobicContact SD-CG 4.4Å; M184-F464 HydrophobicContact CB-CD1 4.47Å; M184-F464 HydrophobicContact CB-CE1 4.4Å; M184-A468 WeakPolarHBondContact CA-O 3.49Å; M184-A468 HydrophobicContact CB-CB 4.32Å; M184-A468 WeakPolarHBondContact CB-O 3.43Å; M184-A468 HydrophobicContact CG-CB 3.69Å; M184-A468 HydrophobicContact SD-CB 4.3Å
185R94.1Very high92.4Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-153.7149.3179.254.4-179.2160.8-155.8-3.5114.1S166 S169 S170 S171 S175 F183 I187 T189 F464 A468 D469 L470S166-R185 WeakPolarHBondContact O-CA 3.5Å; S166-R185 WeakPolarHBondContact O-CB 3.44Å; S169-R185 VanDerWaalsContact O-CD 3.25Å; S169-R185 WeakPolarHBondContact O-CD 3.46Å; S169-R185 PolarHBondContact O-NH1 2.93Å; S170-R185 PolarHBondContact O-NH1 2.9Å; S171-R185 PolarHBondContact O-NH1 2.66Å; S175-R185 PolarHBondContact OG-NH2 3.05Å; F183-R185 HydrophobicContact CE1-CB 4.09Å; F183-R185 HydrophobicContact CE1-CG 4.1Å; F183-R185 HydrophobicContact CZ-CB 4.16Å; R185-I187 VanDerWaalsContact C-N 3.27Å; R185-I187 HydrophobicContact CB-CG1 4.38Å; R185-I187 WeakPolarHBondContact CD-O 3.4Å; R185-I187 WeakPolarHBondContact CG-O 3.5Å; R185-I187 PolarHBondContact O-N 3.24Å; R185-T189 PolarHBondContact NH2-OG1 3.3Å; R185-F464 WeakPolarHBondContact O-CE1 3.31Å; R185-A468 PolarHBondContact N-O 3.11Å; R185-D469 WeakPolarHBondContact CG-OD1 3.49Å; R185-D469 IonicContact CZ-OD1 3.71Å; R185-D469 IonicContact CZ-OD2 2.69Å; R185-D469 VanDerWaalsContact NE-CG 3.27Å; R185-D469 IonicContact NE-OD1 2.63Å; R185-D469 PolarHBondContact NE-OD1 3.43Å; R185-D469 IonicContact NE-OD2 2.69Å; R185-D469 IonicContact NH2-OD1 3.68Å; R185-D469 PolarHBondContact NH2-OD1 3.39Å; R185-D469 IonicContact NH2-OD2 2.78Å; R185-D469 PolarHBondContact NH2-OD2 3.18Å; R185-L470 WeakPolarHBondContact O-CB 3.26Å; R185-L470 PolarHBondContact O-N 2.85Å
186T92.7Very high92.4Very high3 Ų330.4 Ų30.42%0.01815%0.147CC..SBendtrans-90.116.9176.147.70000113.3I165 S166 N404 V407 A408I165-T186 HydrophobicContact CG2-CG2 3.97Å; S166-T186 PolarHBondContact O-N 2.9Å; S166-T186 PolarHBondContact O-OG1 3.17Å; T186-N404 PolarHBondContact OG1-O 3.48Å; T186-V407 HydrophobicContact CG2-CB 4.35Å; T186-V407 HydrophobicContact CG2-CG1 3.84Å; T186-A408 HydrophobicContact CG2-CB 3.94Å
187I90.4Very high92.5Very high0 Ų027 Ų270%013%0.129CC..SBendtrans-131.7153.8178.367.5160.9000111.8Y167 A168 R185 L322 N404 L470Y167-I187 WeakPolarHBondContact O-CG2 3.33Å; A168-I187 VanDerWaalsContact C-CD1 3.45Å; R185-I187 VanDerWaalsContact C-N 3.27Å; R185-I187 HydrophobicContact CB-CG1 4.38Å; R185-I187 WeakPolarHBondContact CD-O 3.4Å; R185-I187 WeakPolarHBondContact CG-O 3.5Å; R185-I187 PolarHBondContact O-N 3.24Å; I187-L322 HydrophobicContact CB-CD2 3.98Å; I187-L322 HydrophobicContact CG2-CD1 3.99Å; I187-L322 HydrophobicContact CG2-CD2 4.07Å; I187-N404 HydrophobicContact CG2-CB 4.01Å; I187-N404 VanDerWaalsContact CG2-ND2 3.27Å; I187-N404 WeakPolarHBondContact CG2-ND2 3.35Å; I187-L470 CarbonylContact C-O 3.54Å
188P90Very high92.8Very high6 Ų625.4 Ų25.44%0.03912%0.121CC..  trans-63166.2170.927.3-36.8000112.6L322 Y474 I498P188-L322 HydrophobicContact CG-CD2 4.15Å; P188-Y474 HydrophobicContact CB-CE2 4.09Å; P188-Y474 HydrophobicContact CG-CE1 3.93Å; P188-Y474 HydrophobicContact CG-CE2 3.83Å; P188-I498 HydrophobicContact CB-CD1 4.24Å
189T91.6Very high93Very high10 Ų1020.1 Ų20.16%0.0619%0.093CC..  trans-97149.3178.8-172.70000113.1S170 R185 E191 Y192S170-T189 WeakPolarHBondContact O-CA 3.25Å; S170-T189 PolarHBondContact O-OG1 2.96Å; S170-T189 VanDerWaalsContact O-OG1 3.08Å; R185-T189 PolarHBondContact NH2-OG1 3.3Å; T189-E191 HydrophobicContact CG2-CB 3.95Å; T189-E191 PolarHBondContact O-N 3.11Å; T189-E191 VanDerWaalsContact O-N 3.11Å; T189-Y192 HydrophobicContact CG2-CD2 3.8Å; T189-Y192 HydrophobicContact CG2-CE2 3.89Å; T189-Y192 PolarHBondContact O-N 3.32Å
190D92.4Very high93.2Very high3 Ų315.7 Ų15.72%0.0167%0.073CC..Hα-helixtrans-54.3-26.6177.7-66.1-32.6000114.7S170 S171 Y192 Q193 V194 Y218 F270S170-D190 WeakPolarHBondContact CB-OD1 3.33Å; S170-D190 PolarHBondContact O-N 3.32Å; S170-D190 PolarHBondContact OG-OD1 3.12Å; S171-D190 WeakPolarHBondContact CA-OD2 3.48Å; S171-D190 PolarHBondContact N-OD2 3.11Å; D190-Y192 PolarHBondContact O-N 3.26Å; D190-Y192 VanDerWaalsContact O-N 3.09Å; D190-Q193 PolarHBondContact O-N 3.34Å; D190-V194 WeakPolarHBondContact O-CG2 3.38Å; D190-V194 PolarHBondContact O-N 3.46Å; D190-Y218 WeakPolarHBondContact OD2-CE2 3.29Å; D190-F270 HydrophobicContact CB-CE1 4.13Å; D190-F270 HydrophobicContact CB-CZ 3.75Å; D190-F270 VanDerWaalsContact CG-CZ 3.45Å; D190-F270 WeakPolarHBondContact OD1-CZ 3.38Å
191E90.4Very high93.2Very high70 Ų7015.1 Ų15.133%0.3277%0.07SC..Hα-helixtrans-51.3-35.9174.3-170.368.2-154.800111.6R172 T189 T195 K225R172-E191 WeakPolarHBondContact CD-OE2 3.44Å; T189-E191 HydrophobicContact CG2-CB 3.95Å; T189-E191 PolarHBondContact O-N 3.11Å; T189-E191 VanDerWaalsContact O-N 3.11Å; E191-T195 PolarHBondContact O-OG1 3.46Å; E191-T195 VanDerWaalsContact O-OG1 3.13Å; E191-K225 WeakPolarHBondContact OE1-CD 3.38Å; E191-K225 WeakPolarHBondContact OE1-CE 3.38Å; E191-K225 IonicContact OE1-NZ 2.69Å; E191-K225 PolarHBondContact OE1-NZ 2.92Å
192Y90.2Very high93.3Very high86 Ų8615.8 Ų15.834%0.3378%0.075SC..Hα-helixtrans-84-30.7175.6-59.7-55000113.6T189 D190 A196 I498T189-Y192 HydrophobicContact CG2-CD2 3.8Å; T189-Y192 HydrophobicContact CG2-CE2 3.89Å; T189-Y192 PolarHBondContact O-N 3.32Å; D190-Y192 PolarHBondContact O-N 3.26Å; D190-Y192 VanDerWaalsContact O-N 3.09Å; Y192-A196 VanDerWaalsContact O-CB 3.28Å; Y192-A196 WeakPolarHBondContact O-CB 3.47Å; Y192-A196 PolarHBondContact O-N 3Å; Y192-A196 VanDerWaalsContact O-N 3.08Å; Y192-I498 HydrophobicContact CD1-CG2 3.74Å; Y192-I498 HydrophobicContact CD2-CD1 3.78Å; Y192-I498 HydrophobicContact CD2-CG1 4.49Å; Y192-I498 HydrophobicContact CD2-CG2 4.06Å; Y192-I498 HydrophobicContact CE1-CG2 3.68Å; Y192-I498 HydrophobicContact CE2-CD1 4.42Å; Y192-I498 HydrophobicContact CE2-CG2 3.99Å; Y192-I498 HydrophobicContact CG-CD1 3.99Å; Y192-I498 HydrophobicContact CG-CG1 4.25Å; Y192-I498 HydrophobicContact CG-CG2 3.93Å
193Q92.6Very high93.3Very high0 Ų020.2 Ų20.20%09%0.092CC..Hα-helixtrans-70.7-41.9178.3-168.1-177.4118.700111.4D190 A196 M197 E297 F320 Y474D190-Q193 PolarHBondContact O-N 3.34Å; Q193-A196 CarbonylContact O-C 3.57Å; Q193-A196 WeakPolarHBondContact O-CA 3.5Å; Q193-A196 WeakPolarHBondContact O-CB 3.49Å; Q193-A196 PolarHBondContact O-N 3.45Å; Q193-A196 VanDerWaalsContact O-N 3.07Å; Q193-M197 HydrophobicContact CG-CE 4.37Å; Q193-M197 WeakPolarHBondContact O-CG 3.29Å; Q193-M197 PolarHBondContact O-N 3.04Å; Q193-M197 VanDerWaalsContact OE1-CE 3.31Å; Q193-E297 PolarHBondContact NE2-OE2 3.05Å; Q193-F320 HydrophobicContact CG-CB 4.22Å; Q193-F320 HydrophobicContact CG-CD1 3.88Å; Q193-F320 HydrophobicContact CG-CD2 4.05Å; Q193-F320 HydrophobicContact CG-CE1 4.28Å; Q193-F320 HydrophobicContact CG-CE2 4.45Å; Q193-F320 HydrophobicContact CG-CG 3.75Å; Q193-Y474 HydrophobicContact CB-CE2 4.12Å
194V94.6Very high93.2Very high0 Ų020.8 Ų20.80%010%0.095CC..Hα-helixtrans-69.2-40.9-177.7179.60000111.1D190 A196 M197 A198 K225 F226 E229 F270D190-V194 WeakPolarHBondContact O-CG2 3.38Å; D190-V194 PolarHBondContact O-N 3.46Å; V194-A196 VanDerWaalsContact C-N 3.28Å; V194-A196 PolarHBondContact O-N 2.87Å; V194-M197 PolarHBondContact O-N 2.94Å; V194-A198 PolarHBondContact O-N 3.05Å; V194-K225 HydrophobicContact CB-CG 3.86Å; V194-K225 HydrophobicContact CG1-CB 4.25Å; V194-K225 HydrophobicContact CG1-CG 3.72Å; V194-K225 HydrophobicContact CG2-CG 4.34Å; V194-F226 HydrophobicContact CG1-CB 3.61Å; V194-F226 HydrophobicContact CG1-CD2 4.08Å; V194-F226 HydrophobicContact CG1-CG 4.36Å; V194-E229 HydrophobicContact CG1-CG 4.49Å; V194-F270 HydrophobicContact CG2-CD2 4.26Å; V194-F270 HydrophobicContact CG2-CE2 3.59Å; V194-F270 HydrophobicContact CG2-CZ 3.89Å
195T93.1Very high93.1Very high23 Ų2328.3 Ų28.314%0.14113%0.13CC..Hα-helixtrans-59.7-38.9167.4-54.40000111.5E191 A198 D199 E229E191-T195 PolarHBondContact O-OG1 3.46Å; E191-T195 VanDerWaalsContact O-OG1 3.13Å; T195-A198 PolarHBondContact O-N 2.69Å; T195-D199 WeakPolarHBondContact O-CB 3.18Å; T195-D199 VanDerWaalsContact O-CG 3.22Å; T195-D199 PolarHBondContact O-N 3.04Å; T195-E229 PolarHBondContact OG1-OE1 3.44Å
196A93.1Very high93.1Very high0 Ų028.7 Ų28.70%013%0.131CC..Hα-helixtrans-69.1-33.6177.200000113.4Y192 Q193 V194 I200 F320 Y496Y192-A196 VanDerWaalsContact O-CB 3.28Å; Y192-A196 WeakPolarHBondContact O-CB 3.47Å; Y192-A196 PolarHBondContact O-N 3Å; Y192-A196 VanDerWaalsContact O-N 3.08Å; Q193-A196 CarbonylContact O-C 3.57Å; Q193-A196 WeakPolarHBondContact O-CA 3.5Å; Q193-A196 WeakPolarHBondContact O-CB 3.49Å; Q193-A196 PolarHBondContact O-N 3.45Å; Q193-A196 VanDerWaalsContact O-N 3.07Å; V194-A196 VanDerWaalsContact C-N 3.28Å; V194-A196 PolarHBondContact O-N 2.87Å; A196-I200 VanDerWaalsContact O-CG1 3.29Å; A196-I200 WeakPolarHBondContact O-CG1 3.42Å; A196-I200 PolarHBondContact O-N 3.47Å; A196-F320 HydrophobicContact CB-CE1 3.52Å; A196-F320 HydrophobicContact CB-CZ 3.66Å; A196-Y496 HydrophobicContact CB-CD1 3.76Å; A196-Y496 HydrophobicContact CB-CD2 3.53Å; A196-Y496 HydrophobicContact CB-CE1 3.75Å; A196-Y496 HydrophobicContact CB-CE2 3.52Å; A196-Y496 HydrophobicContact CB-CG 3.64Å
197M95.4Very high93.2Very high0 Ų030 Ų300%014%0.138CC..Hα-helixtrans-63-45.4171.2-75.7177.3166.800110.4Q193 V194 I200 I201 F226 V268 F270 L294 F320Q193-M197 HydrophobicContact CG-CE 4.37Å; Q193-M197 WeakPolarHBondContact O-CG 3.29Å; Q193-M197 PolarHBondContact O-N 3.04Å; Q193-M197 VanDerWaalsContact OE1-CE 3.31Å; V194-M197 PolarHBondContact O-N 2.94Å; M197-I200 WeakPolarHBondContact O-CB 3.27Å; M197-I200 PolarHBondContact O-N 3.2Å; M197-I201 WeakPolarHBondContact O-CD1 3.5Å; M197-I201 WeakPolarHBondContact O-CG1 3.37Å; M197-I201 PolarHBondContact O-N 2.93Å; M197-F226 HydrophobicContact CB-CE2 4.41Å; M197-V268 HydrophobicContact CE-CG1 4.45Å; M197-V268 HydrophobicContact SD-CG1 3.69Å; M197-F270 HydrophobicContact CE-CD2 4.14Å; M197-F270 HydrophobicContact CE-CE2 4.15Å; M197-F270 HydrophobicContact SD-CD2 4Å; M197-F270 HydrophobicContact SD-CE2 4.05Å; M197-L294 HydrophobicContact CB-CD2 3.77Å; M197-L294 HydrophobicContact CG-CD2 3.82Å; M197-L294 HydrophobicContact CG-CG 4.1Å; M197-F320 HydrophobicContact CB-CE2 4.48Å; M197-F320 HydrophobicContact CE-CD2 3.93Å; M197-F320 HydrophobicContact CE-CE2 4.16Å; M197-F320 HydrophobicContact CG-CD2 4.16Å; M197-F320 HydrophobicContact CG-CE2 3.45Å; M197-F320 VanDerWaalsContact CG-CE2 3.45Å; M197-F320 HydrophobicContact CG-CZ 4.05Å
198A95.1Very high93.4Very high0 Ų030.3 Ų30.30%014%0.139CC..Hα-helixtrans-62.6-44.9175.800000112.5V194 T195 I200 I201 E202 E229 M230 R233V194-A198 PolarHBondContact O-N 3.05Å; T195-A198 PolarHBondContact O-N 2.69Å; A198-I200 PolarHBondContact O-N 2.85Å; A198-I201 PolarHBondContact O-N 3.48Å; A198-E202 WeakPolarHBondContact O-CB 3.44Å; A198-E202 PolarHBondContact O-N 2.82Å; A198-E229 HydrophobicContact CB-CB 3.82Å; A198-M230 HydrophobicContact CB-CE 3.33Å; A198-R233 VanDerWaalsContact CB-CZ 3.49Å
199D94.1Very high93.8Very high31 Ų3130 Ų3017%0.16614%0.137CC..Hα-helixtrans-59.8-31.2174.6-69.8-7.7000112.2T195 Y203 R233 Y496 L506T195-D199 WeakPolarHBondContact O-CB 3.18Å; T195-D199 VanDerWaalsContact O-CG 3.22Å; T195-D199 PolarHBondContact O-N 3.04Å; D199-Y203 WeakPolarHBondContact O-CB 3.46Å; D199-Y203 PolarHBondContact O-N 2.91Å; D199-Y203 VanDerWaalsContact O-N 3.08Å; D199-R233 IonicContact OD1-CZ 3.33Å; D199-R233 IonicContact OD1-NH2 3.04Å; D199-R233 PolarHBondContact OD1-NH2 3.4Å; D199-Y496 HydrophobicContact CB-CE2 4.21Å; D199-Y496 VanDerWaalsContact OD2-CE2 3.25Å; D199-Y496 WeakPolarHBondContact OD2-CE2 3.34Å; D199-Y496 PolarHBondContact OD2-OH 2.88Å; D199-L506 HydrophobicContact CB-CD2 4.35Å; D199-L506 WeakPolarHBondContact O-CD2 3.39Å
200I95.1Very high94.1Very high0 Ų029.5 Ų29.50%014%0.135CC..Hα-helixtrans-72.6-43.6174.9-74.6174.6000111.5A196 M197 A198 Y203 F204 W206 L294 I318 F320 I476 L506 I508A196-I200 VanDerWaalsContact O-CG1 3.29Å; A196-I200 WeakPolarHBondContact O-CG1 3.42Å; A196-I200 PolarHBondContact O-N 3.47Å; M197-I200 WeakPolarHBondContact O-CB 3.27Å; M197-I200 PolarHBondContact O-N 3.2Å; A198-I200 PolarHBondContact O-N 2.85Å; I200-Y203 PolarHBondContact O-N 3.39Å; I200-F204 HydrophobicContact CG2-CD2 3.9Å; I200-F204 HydrophobicContact CG2-CE2 4.02Å; I200-F204 VanDerWaalsContact O-CD2 3.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.19Å; I200-F204 PolarHBondContact O-N 3.32Å; I200-F204 VanDerWaalsContact O-N 3.1Å; I200-W206 HydrophobicContact CG2-CZ3 4.43Å; I200-L294 HydrophobicContact CD1-CD1 4.29Å; I200-L294 HydrophobicContact CG2-CD1 4.14Å; I200-I318 HydrophobicContact CD1-CG2 4.45Å; I200-F320 HydrophobicContact CD1-CE1 4.45Å; I200-F320 HydrophobicContact CD1-CE2 3.93Å; I200-F320 HydrophobicContact CD1-CZ 3.54Å; I200-I476 HydrophobicContact CD1-CD1 4.06Å; I200-L506 HydrophobicContact CD1-CD1 4.3Å; I200-L506 HydrophobicContact CG1-CD1 3.78Å; I200-L506 HydrophobicContact CG1-CD2 3.85Å; I200-I508 HydrophobicContact CD1-CD1 4.41Å; I200-I508 HydrophobicContact CG1-CD1 4.05Å
201I96Very high94.3Very high0 Ų029.4 Ų29.40%013%0.134CC..Hα-helixtrans-63.1-44.8179.2-67.9161.1000110M197 A198 Y203 F204 Q205 W206 V209 F226 M230 I235 V268 L294M197-I201 WeakPolarHBondContact O-CD1 3.5Å; M197-I201 WeakPolarHBondContact O-CG1 3.37Å; M197-I201 PolarHBondContact O-N 2.93Å; A198-I201 PolarHBondContact O-N 3.48Å; I201-Y203 PolarHBondContact O-N 3.14Å; I201-F204 PolarHBondContact O-N 3.31Å; I201-Q205 PolarHBondContact O-N 3.42Å; I201-Q205 VanDerWaalsContact O-N 3.14Å; I201-W206 HydrophobicContact CB-CE3 4.38Å; I201-W206 HydrophobicContact CG1-CE3 4.12Å; I201-W206 HydrophobicContact CG2-CB 3.91Å; I201-W206 WeakPolarHBondContact CG2-O 3.37Å; I201-W206 PolarHBondContact O-N 3.11Å; I201-W206 VanDerWaalsContact O-N 3.16Å; I201-V209 HydrophobicContact CD1-CG1 4.48Å; I201-V209 HydrophobicContact CG2-CG1 4.17Å; I201-F226 HydrophobicContact CD1-CE2 3.65Å; I201-F226 HydrophobicContact CD1-CZ 3.67Å; I201-M230 HydrophobicContact CD1-CE 4.09Å; I201-M230 HydrophobicContact CD1-SD 4.1Å; I201-M230 HydrophobicContact CG2-SD 4.48Å; I201-I235 HydrophobicContact CG2-CD1 3.92Å; I201-I235 HydrophobicContact CG2-CG2 4.2Å; I201-V268 HydrophobicContact CD1-CG2 3.92Å; I201-L294 HydrophobicContact CD1-CD2 4.06Å; I201-L294 HydrophobicContact CG1-CD2 4.1Å
202E93.4Very high94.7Very high98 Ų9826 Ų2646%0.45812%0.118SC..Hα-helixtrans-58.7-44172.4-170.1-179.517100111.8A198 F204 Q205 R233A198-E202 WeakPolarHBondContact O-CB 3.44Å; A198-E202 PolarHBondContact O-N 2.82Å; E202-F204 VanDerWaalsContact C-N 3.31Å; E202-F204 PolarHBondContact O-N 3.01Å; E202-Q205 PolarHBondContact O-N 3.31Å; E202-Q205 VanDerWaalsContact O-N 3.1Å; E202-R233 WeakPolarHBondContact OE2-CD 3.36Å; E202-R233 IonicContact OE2-CZ 2.67Å; E202-R233 IonicContact OE2-NE 3.51Å; E202-R233 PolarHBondContact OE2-NE 3.28Å
203Y93.5Very high95Very high93 Ų9322 Ų2237%0.36510%0.102SC..Hα-helixtrans-67.3-23.7-179.9178.7-98.2000115D199 I200 I201 L506 I508 K510D199-Y203 WeakPolarHBondContact O-CB 3.46Å; D199-Y203 PolarHBondContact O-N 2.91Å; D199-Y203 VanDerWaalsContact O-N 3.08Å; I200-Y203 PolarHBondContact O-N 3.39Å; I201-Y203 PolarHBondContact O-N 3.14Å; Y203-L506 HydrophobicContact CD1-CD2 4.48Å; Y203-L506 HydrophobicContact CD2-CD2 4.47Å; Y203-L506 HydrophobicContact CG-CD2 4.04Å; Y203-I508 HydrophobicContact CD1-CD1 4.21Å; Y203-I508 HydrophobicContact CE1-CB 3.88Å; Y203-I508 HydrophobicContact CE1-CD1 4.3Å; Y203-I508 HydrophobicContact CE1-CG2 3.93Å; Y203-K510 HydrophobicContact CE1-CD 4.29Å; Y203-K510 HydrophobicContact CE1-CG 4.17Å; Y203-K510 VanDerWaalsContact CZ-CE 3.41Å; Y203-K510 WeakPolarHBondContact OH-CE 3.37Å
204F93.6Very high95.2Very high12 Ų1222.1 Ų22.15%0.05310%0.103CC..THydrogen-bonded Turntrans-99.43.9172.5-70.4-66.3000113.8I200 I201 E202 W206 I318 I508 K510 I513 W515 V522I200-F204 HydrophobicContact CG2-CD2 3.9Å; I200-F204 HydrophobicContact CG2-CE2 4.02Å; I200-F204 VanDerWaalsContact O-CD2 3.31Å; I200-F204 WeakPolarHBondContact O-CD2 3.19Å; I200-F204 PolarHBondContact O-N 3.32Å; I200-F204 VanDerWaalsContact O-N 3.1Å; I201-F204 PolarHBondContact O-N 3.31Å; E202-F204 VanDerWaalsContact C-N 3.31Å; E202-F204 PolarHBondContact O-N 3.01Å; F204-W206 VanDerWaalsContact C-N 3.25Å; F204-W206 HydrophobicContact CB-CD2 3.66Å; F204-W206 HydrophobicContact CB-CE3 3.94Å; F204-W206 HydrophobicContact CB-CG 4.27Å; F204-W206 HydrophobicContact CB-CH2 3.95Å; F204-W206 HydrophobicContact CB-CZ2 3.67Å; F204-W206 HydrophobicContact CB-CZ3 4.08Å; F204-W206 AromaticContact CD2-CH2 3.7Å; F204-W206 HydrophobicContact CD2-CH2 3.7Å; F204-W206 HydrophobicContact CD2-CZ2 4.17Å; F204-W206 AromaticContact CD2-CZ3 3.94Å; F204-W206 HydrophobicContact CD2-CZ3 3.94Å; F204-W206 HydrophobicContact CE2-CH2 4.46Å; F204-W206 AromaticContact CG-CH2 3.95Å; F204-W206 HydrophobicContact CG-CH2 3.95Å; F204-W206 AromaticContact CG-CZ2 3.93Å; F204-W206 HydrophobicContact CG-CZ2 3.93Å; F204-W206 HydrophobicContact CG-CZ3 4.34Å; F204-W206 PolarHBondContact O-N 3.15Å; F204-I318 HydrophobicContact CE2-CD1 4.03Å; F204-I508 HydrophobicContact CE2-CD1 4.05Å; F204-I508 HydrophobicContact CZ-CD1 4.36Å; F204-I508 HydrophobicContact CZ-CG2 4.19Å; F204-K510 HydrophobicContact CE1-CD 4.15Å; F204-K510 HydrophobicContact CE1-CG 4.21Å; F204-I513 HydrophobicContact CZ-CD1 3.85Å; F204-W515 HydrophobicContact CD1-CH2 4.09Å; F204-W515 HydrophobicContact CD1-CZ2 4.02Å; F204-W515 HydrophobicContact CD2-CH2 4.15Å; F204-W515 AromaticContact CE1-CH2 3.82Å; F204-W515 HydrophobicContact CE1-CH2 3.82Å; F204-W515 AromaticContact CE1-CZ2 3.59Å; F204-W515 HydrophobicContact CE1-CZ2 3.59Å; F204-W515 AromaticContact CE2-CH2 3.88Å; F204-W515 HydrophobicContact CE2-CH2 3.88Å; F204-W515 HydrophobicContact CE2-CZ2 4.46Å; F204-W515 HydrophobicContact CG-CH2 4.26Å; F204-W515 AromaticContact CZ-CH2 3.71Å; F204-W515 HydrophobicContact CZ-CH2 3.71Å; F204-W515 AromaticContact CZ-CZ2 3.85Å; F204-W515 HydrophobicContact CZ-CZ2 3.85Å; F204-V522 HydrophobicContact CB-CG1 4.12Å; F204-V522 HydrophobicContact CD1-CG1 3.78Å; F204-V522 HydrophobicContact CD1-CG2 3.95Å; F204-V522 HydrophobicContact CE1-CG2 4.22Å; F204-V522 HydrophobicContact CG-CG1 4.26Å
205Q93.3Very high95.3Very high159 Ų15925.5 Ų25.574%0.74312%0.122SC*.THydrogen-bonded Turntrans60.430.1177.2-53.7-178-106.300114.1I201 E202 N526I201-Q205 PolarHBondContact O-N 3.42Å; I201-Q205 VanDerWaalsContact O-N 3.14Å; E202-Q205 PolarHBondContact O-N 3.31Å; E202-Q205 VanDerWaalsContact O-N 3.1Å; Q205-N526 PolarHBondContact O-ND2 2.92Å; Q205-N526 PolarHBondContact O-OD1 2.85Å; Q205-N526 VanDerWaalsContact O-OD1 3.05Å
206W95Very high95.3Very high8 Ų826.4 Ų26.43%0.0313%0.125CC..  trans-81.9131.7175.8-61.4-36.3000111I200 I201 F204 V266 W515 V522 P523 N526I200-W206 HydrophobicContact CG2-CZ3 4.43Å; I201-W206 HydrophobicContact CB-CE3 4.38Å; I201-W206 HydrophobicContact CG1-CE3 4.12Å; I201-W206 HydrophobicContact CG2-CB 3.91Å; I201-W206 WeakPolarHBondContact CG2-O 3.37Å; I201-W206 PolarHBondContact O-N 3.11Å; I201-W206 VanDerWaalsContact O-N 3.16Å; F204-W206 VanDerWaalsContact C-N 3.25Å; F204-W206 HydrophobicContact CB-CD2 3.66Å; F204-W206 HydrophobicContact CB-CE3 3.94Å; F204-W206 HydrophobicContact CB-CG 4.27Å; F204-W206 HydrophobicContact CB-CH2 3.95Å; F204-W206 HydrophobicContact CB-CZ2 3.67Å; F204-W206 HydrophobicContact CB-CZ3 4.08Å; F204-W206 AromaticContact CD2-CH2 3.7Å; F204-W206 HydrophobicContact CD2-CH2 3.7Å; F204-W206 HydrophobicContact CD2-CZ2 4.17Å; F204-W206 AromaticContact CD2-CZ3 3.94Å; F204-W206 HydrophobicContact CD2-CZ3 3.94Å; F204-W206 HydrophobicContact CE2-CH2 4.46Å; F204-W206 AromaticContact CG-CH2 3.95Å; F204-W206 HydrophobicContact CG-CH2 3.95Å; F204-W206 AromaticContact CG-CZ2 3.93Å; F204-W206 HydrophobicContact CG-CZ2 3.93Å; F204-W206 HydrophobicContact CG-CZ3 4.34Å; F204-W206 PolarHBondContact O-N 3.15Å; W206-V266 HydrophobicContact CD2-CG2 3.64Å; W206-V266 HydrophobicContact CE3-CB 4.42Å; W206-V266 HydrophobicContact CE3-CG1 4.06Å; W206-V266 HydrophobicContact CE3-CG2 3.73Å; W206-V266 HydrophobicContact CG-CG2 4.21Å; W206-V266 HydrophobicContact CH2-CG2 4.05Å; W206-V266 HydrophobicContact CZ2-CG2 3.94Å; W206-V266 HydrophobicContact CZ3-CG1 4.12Å; W206-V266 HydrophobicContact CZ3-CG2 3.94Å; W206-W515 AromaticContact CH2-CH2 3.67Å; W206-W515 HydrophobicContact CH2-CH2 3.67Å; W206-W515 AromaticContact CH2-CZ3 3.67Å; W206-W515 HydrophobicContact CH2-CZ3 3.67Å; W206-W515 AromaticContact CZ2-CH2 3.7Å; W206-W515 HydrophobicContact CZ2-CH2 3.7Å; W206-W515 AromaticContact CZ2-CZ3 3.79Å; W206-W515 HydrophobicContact CZ2-CZ3 3.79Å; W206-V522 HydrophobicContact CZ2-CG1 3.95Å; W206-P523 HydrophobicContact CZ2-CG 3.91Å; W206-P523 PolarHBondContact NE1-O 2.95Å; W206-N526 VanDerWaalsContact CA-OD1 3.23Å; W206-N526 WeakPolarHBondContact CA-OD1 3.38Å
207N93.8Very high95.4Very high32 Ų3230.1 Ų30.117%0.17114%0.143CC..  trans-117.8-2.3177.181.315.2000115.1C236 S525 N526 C527N207-C236 WeakPolarHBondContact O-CB 3.26Å; N207-C236 PolarHBondContact O-N 3.23Å; N207-S525 PolarHBondContact N-O 3.45Å; N207-N526 PolarHBondContact N-OD1 2.83Å; N207-N526 WeakPolarHBondContact OD1-CA 3.4Å; N207-N526 WeakPolarHBondContact OD1-CB 3.46Å; N207-C527 PolarHBondContact OD1-N 3.23Å
208W95.6Very high95.4Very high5 Ų530.6 Ų30.62%0.01914%0.144CC..EExtended strand (participates in β ladder)trans-137.7104.2-173.8-169.3-128000110.9C236 H238 T263 A264 S525 C527 M543 P544 C547W208-C236 HydrophobicContact CE3-CB 3.61Å; W208-C236 HydrophobicContact CZ3-CB 3.8Å; W208-H238 HydrophobicContact CD2-CB 4.03Å; W208-H238 AromaticContact CE2-CG 3.92Å; W208-H238 HydrophobicContact CE3-CB 4.17Å; W208-H238 HydrophobicContact CH2-CB 3.77Å; W208-H238 AromaticContact CH2-CD2 3.51Å; W208-H238 AromaticContact CH2-CG 3.96Å; W208-H238 HydrophobicContact CZ2-CB 3.6Å; W208-H238 AromaticContact CZ2-CD2 3.16Å; W208-H238 WeakPolarHBondContact CZ2-CD2 3.36Å; W208-H238 AromaticContact CZ2-CG 3.52Å; W208-H238 HydrophobicContact CZ3-CB 4.04Å; W208-T263 PolarHBondContact NE1-OG1 3.25Å; W208-A264 HydrophobicContact CG-CB 4.2Å; W208-S525 WeakPolarHBondContact CA-O 2.73Å; W208-S525 WeakPolarHBondContact CB-O 3.39Å; W208-S525 PolarHBondContact N-O 2.88Å; W208-S525 VanDerWaalsContact O-O 3.07Å; W208-S525 PolarHBondContact O-OG 3Å; W208-C527 HydrophobicContact CB-CB 4.04Å; W208-C527 VanDerWaalsContact CB-N 3.34Å; W208-C527 HydrophobicContact CD2-CB 3.72Å; W208-C527 HydrophobicContact CE3-CB 4Å; W208-C527 HydrophobicContact CG-CB 3.8Å; W208-M543 HydrophobicContact CH2-CE 3.92Å; W208-M543 HydrophobicContact CZ2-CE 4.1Å; W208-P544 HydrophobicContact CH2-CG 4.21Å; W208-P544 HydrophobicContact CZ3-CG 3.8Å; W208-C547 VanDerWaalsContact CZ3-SG 3.54Å
209V97.1Very high95.5Very high0 Ų030.6 Ų30.60%014%0.144CC..EExtended strand (participates in β ladder)trans-127.6161.8-172.5-55.80000112.6I201 F226 C236 I237 H238 V266I201-V209 HydrophobicContact CD1-CG1 4.48Å; I201-V209 HydrophobicContact CG2-CG1 4.17Å; V209-F226 HydrophobicContact CG2-CE1 4.24Å; V209-F226 HydrophobicContact CG2-CZ 4.16Å; V209-C236 PolarHBondContact N-O 3.49Å; V209-C236 VanDerWaalsContact N-O 3.08Å; V209-I237 HydrophobicContact CG2-CG1 4.04Å; V209-I237 CarbonylContact O-C 3.54Å; V209-I237 WeakPolarHBondContact O-CA 3.47Å; V209-H238 PolarHBondContact O-N 3.17Å; V209-V266 HydrophobicContact CG1-CB 4.16Å; V209-V266 HydrophobicContact CG1-CG1 4.11Å
210I97.8Very high95.6Very high0 Ų034.7 Ų34.70%016%0.158CC..EExtended strand (participates in β ladder)trans-104.3138.2167.4-68.8163.1000108.4V212 L239 I259 A264 V266 I267 V268I210-V212 HydrophobicContact CG2-CG2 3.98Å; I210-L239 HydrophobicContact CD1-CD1 4.35Å; I210-L239 HydrophobicContact CG1-CB 4.37Å; I210-L239 HydrophobicContact CG1-CD1 4.32Å; I210-L239 HydrophobicContact CG2-CB 4.22Å; I210-I259 HydrophobicContact CD1-CG1 4.47Å; I210-I259 HydrophobicContact CD1-CG2 4.29Å; I210-A264 HydrophobicContact CD1-CB 4.13Å; I210-A264 HydrophobicContact CG1-CB 3.93Å; I210-V266 PolarHBondContact N-O 3.37Å; I210-I267 HydrophobicContact CB-CG1 4.21Å; I210-I267 HydrophobicContact CB-CG2 4.39Å; I210-I267 HydrophobicContact CD1-CG1 4.23Å; I210-I267 HydrophobicContact CG2-CG1 4.47Å; I210-I267 HydrophobicContact CG2-CG2 4.02Å; I210-V268 PolarHBondContact O-N 2.97Å
211A97.9Very high95.6Very high0 Ų035.1 Ų35.10%016%0.16CC..EExtended strand (participates in β ladder)trans-110.9128173.900000109.7I223 F226 I237 L239 N240 E241A211-I223 HydrophobicContact CB-CD1 3.89Å; A211-I223 HydrophobicContact CB-CG1 4.11Å; A211-F226 HydrophobicContact CB-CD1 4.34Å; A211-F226 HydrophobicContact CB-CE1 4.27Å; A211-I237 HydrophobicContact CB-CD1 4.43Å; A211-I237 HydrophobicContact CB-CG2 3.75Å; A211-L239 PolarHBondContact N-O 2.99Å; A211-N240 HydrophobicContact CB-CB 4.29Å; A211-N240 WeakPolarHBondContact O-CA 3.39Å; A211-E241 PolarHBondContact O-N 3.31Å
212V98Very high95.6Very high0 Ų035.2 Ų35.20%016%0.161CC..EExtended strand (participates in β ladder)trans-130.8130.8175.5177.10000108.9I210 E241 I243 I267 V268 V269 F270 I276 L279I210-V212 HydrophobicContact CG2-CG2 3.98Å; V212-E241 CarbonylContact C-O 3.6Å; V212-E241 VanDerWaalsContact CA-O 3.3Å; V212-E241 WeakPolarHBondContact CA-O 3.41Å; V212-E241 HydrophobicContact CG2-CB 4.45Å; V212-I243 HydrophobicContact CG1-CD1 3.49Å; V212-I243 VanDerWaalsContact CG1-CD1 3.49Å; V212-I243 HydrophobicContact CG1-CG1 3.76Å; V212-I243 HydrophobicContact CG1-CG2 4.03Å; V212-I267 HydrophobicContact CG2-CG2 4.02Å; V212-V268 PolarHBondContact N-O 3.22Å; V212-V269 HydrophobicContact CB-CG2 4.37Å; V212-V269 CarbonylContact O-C 3.55Å; V212-V269 VanDerWaalsContact O-CA 3.3Å; V212-V269 WeakPolarHBondContact O-CA 3.38Å; V212-F270 PolarHBondContact O-N 3.15Å; V212-I276 HydrophobicContact CG1-CD1 4.35Å; V212-L279 HydrophobicContact CG1-CD2 4.48Å
213A97.8Very high95.7Very high0 Ų031 Ų310%014%0.142CC..EExtended strand (participates in β ladder)trans-142.9156.2-179.500000113.4I223 E241 L242 I243 F270A213-I223 HydrophobicContact CB-CB 3.76Å; A213-I223 HydrophobicContact CB-CD1 4.09Å; A213-I223 HydrophobicContact CB-CG1 3.92Å; A213-I223 HydrophobicContact CB-CG2 4.19Å; A213-E241 PolarHBondContact N-O 2.95Å; A213-L242 HydrophobicContact CB-CD2 4.14Å; A213-L242 CarbonylContact O-C 3.46Å; A213-L242 VanDerWaalsContact O-CA 3.29Å; A213-L242 WeakPolarHBondContact O-CA 3.48Å; A213-I243 VanDerWaalsContact O-CG1 3.29Å; A213-I243 WeakPolarHBondContact O-CG1 3.48Å; A213-I243 PolarHBondContact O-N 3.47Å; A213-F270 VanDerWaalsContact CA-O 3.26Å; A213-F270 WeakPolarHBondContact CA-O 3.37Å; A213-F270 HydrophobicContact CB-CB 4.09Å
214S96.4Very high95.8Very high3 Ų332.1 Ų32.12%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-70.9142.7174.746.50000112.3D216 G219 R220 I243 F270S214-D216 WeakPolarHBondContact CB-OD1 3.44Å; S214-D216 PolarHBondContact O-N 3.15Å; S214-D216 PolarHBondContact OG-OD1 2.95Å; S214-G219 VanDerWaalsContact O-CA 3.32Å; S214-G219 WeakPolarHBondContact O-CA 3.06Å; S214-G219 WeakPolarHBondContact OG-CA 3.04Å; S214-G219 PolarHBondContact OG-N 2.78Å; S214-R220 PolarHBondContact O-N 3.47Å; S214-I243 CarbonylContact C-O 3.53Å; S214-I243 WeakPolarHBondContact CA-O 3.47Å; S214-F270 PolarHBondContact N-O 3.42Å
215D95.3Very high95.9Very high72 Ų7233 Ų3339%0.38515%0.154SC..SBendtrans-77.165172.9-160.5-26.4000111.2R220 L242 I243D215-R220 IonicContact OD1-CZ 3.89Å; D215-R220 IonicContact OD1-NE 2.7Å; D215-R220 PolarHBondContact OD1-NE 3.39Å; D215-R220 IonicContact OD1-NH2 3.9Å; D215-R220 PolarHBondContact OD1-NH2 2.91Å; D215-R220 IonicContact OD2-CZ 3.34Å; D215-R220 IonicContact OD2-NH2 2.82Å; D215-R220 PolarHBondContact OD2-NH2 3.34Å; D215-L242 HydrophobicContact CB-CB 4.43Å; D215-I243 PolarHBondContact N-O 2.66Å
216D94.4Very high96.1Very high41 Ų4125.5 Ų25.522%0.21912%0.119CC..SBendtrans-154.7178.6-177.988.8-47.3000112.3A148 S214 Y218 G219 R220A148-D216 HydrophobicContact CB-CB 4.03Å; A148-D216 WeakPolarHBondContact CB-OD2 3.49Å; S214-D216 WeakPolarHBondContact CB-OD1 3.44Å; S214-D216 PolarHBondContact O-N 3.15Å; S214-D216 PolarHBondContact OG-OD1 2.95Å; D216-Y218 VanDerWaalsContact CG-N 3.29Å; D216-Y218 PolarHBondContact O-N 3.41Å; D216-Y218 VanDerWaalsContact O-N 3.16Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.18Å; D216-Y218 PolarHBondContact OD1-N 3.49Å; D216-Y218 VanDerWaalsContact OD1-N 3.16Å; D216-Y218 WeakPolarHBondContact OD2-CB 3.48Å; D216-Y218 PolarHBondContact OD2-N 3.49Å; D216-G219 PolarHBondContact O-N 3.33Å; D216-G219 PolarHBondContact OD1-N 3.5Å; D216-R220 PolarHBondContact O-N 2.89Å; D216-R220 VanDerWaalsContact O-N 3.14Å
217E95.1Very high96.2Very high78 Ų7829.1 Ų29.136%0.36414%0.136SC..THydrogen-bonded Turntrans-725.3176.8-60.495.7146.800115.2A148 T151 S171 L173 P221A148-E217 WeakPolarHBondContact CA-OE2 3.39Å; A148-E217 WeakPolarHBondContact CB-OE2 3.48Å; T151-E217 HydrophobicContact CG2-CG 4.45Å; S171-E217 VanDerWaalsContact CB-O 3.25Å; S171-E217 WeakPolarHBondContact CB-O 3.33Å; S171-E217 PolarHBondContact OG-O 2.96Å; L173-E217 HydrophobicContact CD1-CB 4.18Å; L173-E217 HydrophobicContact CD1-CG 4.42Å; E217-P221 WeakPolarHBondContact O-CG 3.42Å
218Y95.9Very high96.3Very high10 Ų1032.8 Ų32.84%0.03915%0.151CC..THydrogen-bonded Turntrans-96.4-57.9163.6173.2-113.7000111.2S170 D190 D216 P221 G222 F270 S296 E297 A298S170-Y218 WeakPolarHBondContact OG-CE2 3.29Å; D190-Y218 WeakPolarHBondContact OD2-CE2 3.29Å; D216-Y218 VanDerWaalsContact CG-N 3.29Å; D216-Y218 PolarHBondContact O-N 3.41Å; D216-Y218 VanDerWaalsContact O-N 3.16Å; D216-Y218 WeakPolarHBondContact OD1-CB 3.18Å; D216-Y218 PolarHBondContact OD1-N 3.49Å; D216-Y218 VanDerWaalsContact OD1-N 3.16Å; D216-Y218 WeakPolarHBondContact OD2-CB 3.48Å; D216-Y218 PolarHBondContact OD2-N 3.49Å; Y218-P221 WeakPolarHBondContact O-CD 3.38Å; Y218-G222 PolarHBondContact O-N 2.93Å; Y218-F270 HydrophobicContact CD1-CD1 4.31Å; Y218-F270 HydrophobicContact CD2-CD1 4.41Å; Y218-F270 AromaticContact CD2-CE1 3.94Å; Y218-F270 HydrophobicContact CD2-CE1 3.94Å; Y218-F270 AromaticContact CE1-CD1 3.9Å; Y218-F270 HydrophobicContact CE1-CD1 3.9Å; Y218-F270 HydrophobicContact CE1-CE1 4.13Å; Y218-F270 HydrophobicContact CE2-CD1 4.02Å; Y218-F270 AromaticContact CE2-CE1 3.4Å; Y218-F270 HydrophobicContact CE2-CE1 3.4Å; Y218-F270 HydrophobicContact CE2-CZ 4.14Å; Y218-F270 AromaticContact CZ-CD1 3.75Å; Y218-F270 AromaticContact CZ-CE1 3.5Å; Y218-S296 WeakPolarHBondContact OH-CB 3.38Å; Y218-S296 PolarHBondContact OH-OG 3.4Å; Y218-E297 PolarHBondContact OH-OE2 2.97Å; Y218-A298 HydrophobicContact CE1-CB 3.75Å; Y218-A298 VanDerWaalsContact OH-CB 3.31Å; Y218-A298 WeakPolarHBondContact OH-CB 3.36Å
219G96.3Very high96.3Very high0 Ų033.2 Ų33.20%015%0.153CC..Hα-helixtrans-69-51.2-171.800000113.4S214 D216 G222 I223 F270S214-G219 VanDerWaalsContact O-CA 3.32Å; S214-G219 WeakPolarHBondContact O-CA 3.06Å; S214-G219 WeakPolarHBondContact OG-CA 3.04Å; S214-G219 PolarHBondContact OG-N 2.78Å; D216-G219 PolarHBondContact O-N 3.33Å; D216-G219 PolarHBondContact OD1-N 3.5Å; G219-G222 PolarHBondContact O-N 3.5Å; G219-I223 PolarHBondContact O-N 3.27Å; G219-F270 VanDerWaalsContact CA-O 3.27Å; G219-F270 WeakPolarHBondContact CA-O 3.15Å
220R96.4Very high96.2Very high118 Ų11833.2 Ų33.245%0.44515%0.153SC..Hα-helixtrans-58.7-47.5-178.4-66.3177.9171.8-85.92.1112.8S214 D215 D216 G222 I223 E224 L242S214-R220 PolarHBondContact O-N 3.47Å; D215-R220 IonicContact OD1-CZ 3.89Å; D215-R220 IonicContact OD1-NE 2.7Å; D215-R220 PolarHBondContact OD1-NE 3.39Å; D215-R220 IonicContact OD1-NH2 3.9Å; D215-R220 PolarHBondContact OD1-NH2 2.91Å; D215-R220 IonicContact OD2-CZ 3.34Å; D215-R220 IonicContact OD2-NH2 2.82Å; D215-R220 PolarHBondContact OD2-NH2 3.34Å; D216-R220 PolarHBondContact O-N 2.89Å; D216-R220 VanDerWaalsContact O-N 3.14Å; R220-G222 VanDerWaalsContact C-N 3.33Å; R220-G222 PolarHBondContact O-N 3.43Å; R220-I223 PolarHBondContact O-N 3.22Å; R220-E224 WeakPolarHBondContact O-CB 3.42Å; R220-E224 PolarHBondContact O-N 3.25Å; R220-E224 VanDerWaalsContact O-N 3.07Å; R220-L242 HydrophobicContact CG-CD2 4.31Å
221P96.1Very high95.9Very high8 Ų840.6 Ų40.65%0.05219%0.188CC..Hα-helixtrans-69.8-28.9178.7-21.336.1000113.3R172 L173 E217 Y218 K225R172-P221 HydrophobicContact CG-CB 4.19Å; R172-P221 VanDerWaalsContact CZ-O 3.25Å; R172-P221 PolarHBondContact NE-O 3.43Å; R172-P221 PolarHBondContact NH2-O 2.76Å; L173-P221 HydrophobicContact CD1-CB 4.39Å; L173-P221 HydrophobicContact CD1-CG 3.59Å; L173-P221 HydrophobicContact CD2-CB 4.29Å; L173-P221 HydrophobicContact CD2-CG 4.31Å; L173-P221 HydrophobicContact CG-CB 4.06Å; L173-P221 HydrophobicContact CG-CG 3.8Å; E217-P221 WeakPolarHBondContact O-CG 3.42Å; Y218-P221 WeakPolarHBondContact O-CD 3.38Å; P221-K225 WeakPolarHBondContact O-CB 3.26Å; P221-K225 PolarHBondContact O-N 3.49Å
222G95.3Very high95.7Very high2 Ų246.5 Ų46.52%0.02122%0.215CC..Hα-helixtrans-66.8-46.4172.900000112Y218 G219 R220 K225 F226Y218-G222 PolarHBondContact O-N 2.93Å; G219-G222 PolarHBondContact O-N 3.5Å; R220-G222 VanDerWaalsContact C-N 3.33Å; R220-G222 PolarHBondContact O-N 3.43Å; G222-K225 WeakPolarHBondContact O-CB 3.41Å; G222-K225 PolarHBondContact O-N 3.18Å; G222-F226 PolarHBondContact O-N 3.02Å
223I95.6Very high95.5Very high9 Ų948.3 Ų48.35%0.04622%0.222CC..Hα-helixtrans-73.4-37.7-175.8-138.861.3000112.9A211 A213 G219 R220 K225 F226 E227 N240 F270A211-I223 HydrophobicContact CB-CD1 3.89Å; A211-I223 HydrophobicContact CB-CG1 4.11Å; A213-I223 HydrophobicContact CB-CB 3.76Å; A213-I223 HydrophobicContact CB-CD1 4.09Å; A213-I223 HydrophobicContact CB-CG1 3.92Å; A213-I223 HydrophobicContact CB-CG2 4.19Å; G219-I223 PolarHBondContact O-N 3.27Å; R220-I223 PolarHBondContact O-N 3.22Å; I223-K225 PolarHBondContact O-N 3.04Å; I223-F226 HydrophobicContact CD1-CB 4.19Å; I223-F226 HydrophobicContact CD1-CD1 4.15Å; I223-F226 HydrophobicContact CD1-CG 4.39Å; I223-F226 WeakPolarHBondContact O-CA 3.24Å; I223-F226 WeakPolarHBondContact O-CB 3.01Å; I223-F226 PolarHBondContact O-N 3.37Å; I223-E227 WeakPolarHBondContact O-CG 3.18Å; I223-E227 PolarHBondContact O-N 3.09Å; I223-N240 WeakPolarHBondContact CG1-OD1 3.47Å; I223-F270 HydrophobicContact CD1-CB 4.32Å
224E96Very high95.1Very high117 Ų11754.8 Ų54.855%0.54726%0.257SS..Hα-helixtrans-56.6-38.2170.9-177.1-15614600111.5R172 R220R172-E224 IonicContact CZ-OE2 2.8Å; R172-E224 IonicContact NH2-OE1 3.81Å; R172-E224 PolarHBondContact NH2-OE1 3.39Å; R172-E224 IonicContact NH2-OE2 3.03Å; R172-E224 PolarHBondContact NH2-OE2 3.45Å; R220-E224 WeakPolarHBondContact O-CB 3.42Å; R220-E224 PolarHBondContact O-N 3.25Å; R220-E224 VanDerWaalsContact O-N 3.07Å
225K96Very high95Very high30 Ų3055.6 Ų55.613%0.1326%0.26CS..Hα-helixtrans-73.8-29.5176.1170.462.7-165.7-174.30111.7E191 V194 P221 G222 I223 E229E191-K225 WeakPolarHBondContact OE1-CD 3.38Å; E191-K225 WeakPolarHBondContact OE1-CE 3.38Å; E191-K225 IonicContact OE1-NZ 2.69Å; E191-K225 PolarHBondContact OE1-NZ 2.92Å; V194-K225 HydrophobicContact CB-CG 3.86Å; V194-K225 HydrophobicContact CG1-CB 4.25Å; V194-K225 HydrophobicContact CG1-CG 3.72Å; V194-K225 HydrophobicContact CG2-CG 4.34Å; P221-K225 WeakPolarHBondContact O-CB 3.26Å; P221-K225 PolarHBondContact O-N 3.49Å; G222-K225 WeakPolarHBondContact O-CB 3.41Å; G222-K225 PolarHBondContact O-N 3.18Å; I223-K225 PolarHBondContact O-N 3.04Å; K225-E229 HydrophobicContact CD-CG 4.36Å; K225-E229 WeakPolarHBondContact CE-OE1 3.22Å; K225-E229 IonicContact NZ-OE1 3.72Å; K225-E229 PolarHBondContact NZ-OE1 3.43Å; K225-E229 WeakPolarHBondContact O-CG 3.45Å; K225-E229 PolarHBondContact O-N 2.98Å
226F96.8Very high94.9Very high2 Ų252.7 Ų52.71%0.00925%0.246CC..Hα-helixtrans-74.1-47.8178.4179.8-102.5000111.5V194 M197 I201 V209 A211 G222 I223 K228 E229 M230 I237 V268V194-F226 HydrophobicContact CG1-CB 3.61Å; V194-F226 HydrophobicContact CG1-CD2 4.08Å; V194-F226 HydrophobicContact CG1-CG 4.36Å; M197-F226 HydrophobicContact CB-CE2 4.41Å; I201-F226 HydrophobicContact CD1-CE2 3.65Å; I201-F226 HydrophobicContact CD1-CZ 3.67Å; V209-F226 HydrophobicContact CG2-CE1 4.24Å; V209-F226 HydrophobicContact CG2-CZ 4.16Å; A211-F226 HydrophobicContact CB-CD1 4.34Å; A211-F226 HydrophobicContact CB-CE1 4.27Å; G222-F226 PolarHBondContact O-N 3.02Å; I223-F226 HydrophobicContact CD1-CB 4.19Å; I223-F226 HydrophobicContact CD1-CD1 4.15Å; I223-F226 HydrophobicContact CD1-CG 4.39Å; I223-F226 WeakPolarHBondContact O-CA 3.24Å; I223-F226 WeakPolarHBondContact O-CB 3.01Å; I223-F226 PolarHBondContact O-N 3.37Å; F226-K228 PolarHBondContact O-N 2.88Å; F226-E229 PolarHBondContact O-N 3.44Å; F226-M230 HydrophobicContact CD1-CG 4.06Å; F226-M230 HydrophobicContact CD2-CE 4.4Å; F226-M230 HydrophobicContact CD2-CG 4.47Å; F226-M230 HydrophobicContact CE1-CG 3.63Å; F226-M230 HydrophobicContact CE1-SD 4.09Å; F226-M230 HydrophobicContact CE2-CE 3.76Å; F226-M230 HydrophobicContact CE2-CG 4.09Å; F226-M230 HydrophobicContact CE2-SD 3.89Å; F226-M230 HydrophobicContact CG-CG 4.46Å; F226-M230 HydrophobicContact CZ-CE 4.02Å; F226-M230 HydrophobicContact CZ-CG 3.64Å; F226-M230 HydrophobicContact CZ-SD 3.49Å; F226-M230 WeakPolarHBondContact CZ-SD 3.3Å; F226-M230 WeakPolarHBondContact O-CG 3.34Å; F226-M230 PolarHBondContact O-N 2.85Å; F226-I237 HydrophobicContact CD1-CD1 3.79Å; F226-I237 HydrophobicContact CE1-CD1 3.74Å; F226-I237 HydrophobicContact CE1-CG1 4.02Å; F226-V268 HydrophobicContact CD2-CG1 4.41Å; F226-V268 HydrophobicContact CE1-CB 4.47Å; F226-V268 HydrophobicContact CE1-CG2 4.36Å; F226-V268 HydrophobicContact CE2-CG1 4.04Å; F226-V268 HydrophobicContact CE2-CG2 4.16Å; F226-V268 HydrophobicContact CZ-CB 4.14Å; F226-V268 HydrophobicContact CZ-CG1 4.16Å; F226-V268 HydrophobicContact CZ-CG2 3.69Å
227E96.1Very high94.9Very high85 Ų8552.8 Ų52.840%0.39725%0.246SC..Hα-helixtrans-49.4-47173.9-70.9175.8123.600111.1I223 M230 E231 I237 N240I223-E227 WeakPolarHBondContact O-CG 3.18Å; I223-E227 PolarHBondContact O-N 3.09Å; E227-M230 PolarHBondContact O-N 3.34Å; E227-E231 PolarHBondContact O-N 2.98Å; E227-I237 HydrophobicContact CB-CD1 4.37Å; E227-I237 HydrophobicContact CG-CD1 3.81Å; E227-N240 PolarHBondContact OE1-ND2 2.95Å
228K96.3Very high94.9Very high108 Ų10852.5 Ų52.547%0.4724%0.244SC..Hα-helixtrans-65.5-40.7176.7179.7169.8174.2172.80114.1F226 M230 E231 E232F226-K228 PolarHBondContact O-N 2.88Å; K228-M230 PolarHBondContact O-N 3.47Å; K228-E231 PolarHBondContact O-N 3.33Å; K228-E232 WeakPolarHBondContact CE-OE1 3.31Å; K228-E232 IonicContact NZ-OE1 3.18Å; K228-E232 PolarHBondContact NZ-OE1 3.25Å; K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 WeakPolarHBondContact O-CG 3.37Å; K228-E232 PolarHBondContact O-N 2.92Å
229E95.6Very high94.9Very high14 Ų1453.2 Ų53.27%0.06525%0.249CC..Hα-helixtrans-70.3-21.1176.9-70.9-94.2173.200112.5V194 T195 A198 K225 F226 R233V194-E229 HydrophobicContact CG1-CG 4.49Å; T195-E229 PolarHBondContact OG1-OE1 3.44Å; A198-E229 HydrophobicContact CB-CB 3.82Å; K225-E229 HydrophobicContact CD-CG 4.36Å; K225-E229 WeakPolarHBondContact CE-OE1 3.22Å; K225-E229 IonicContact NZ-OE1 3.72Å; K225-E229 PolarHBondContact NZ-OE1 3.43Å; K225-E229 WeakPolarHBondContact O-CG 3.45Å; K225-E229 PolarHBondContact O-N 2.98Å; F226-E229 PolarHBondContact O-N 3.44Å; E229-R233 WeakPolarHBondContact O-CG 3.29Å; E229-R233 PolarHBondContact O-NH1 3.36Å; E229-R233 IonicContact OE2-CZ 2.7Å; E229-R233 IonicContact OE2-NH1 2.75Å; E229-R233 PolarHBondContact OE2-NH1 3.46Å; E229-R233 IonicContact OE2-NH2 3.1Å; E229-R233 PolarHBondContact OE2-NH2 2.89Å
230M95Very high94.9Very high1 Ų156 Ų561%0.00526%0.264CS..Hα-helixtrans-78.9-45170.3-63.1-64.793.100111.5A198 I201 F226 E227 K228 E232 R233 D234 I235 I237A198-M230 HydrophobicContact CB-CE 3.33Å; I201-M230 HydrophobicContact CD1-CE 4.09Å; I201-M230 HydrophobicContact CD1-SD 4.1Å; I201-M230 HydrophobicContact CG2-SD 4.48Å; F226-M230 HydrophobicContact CD1-CG 4.06Å; F226-M230 HydrophobicContact CD2-CE 4.4Å; F226-M230 HydrophobicContact CD2-CG 4.47Å; F226-M230 HydrophobicContact CE1-CG 3.63Å; F226-M230 HydrophobicContact CE1-SD 4.09Å; F226-M230 HydrophobicContact CE2-CE 3.76Å; F226-M230 HydrophobicContact CE2-CG 4.09Å; F226-M230 HydrophobicContact CE2-SD 3.89Å; F226-M230 HydrophobicContact CG-CG 4.46Å; F226-M230 HydrophobicContact CZ-CE 4.02Å; F226-M230 HydrophobicContact CZ-CG 3.64Å; F226-M230 HydrophobicContact CZ-SD 3.49Å; F226-M230 WeakPolarHBondContact CZ-SD 3.3Å; F226-M230 WeakPolarHBondContact O-CG 3.34Å; F226-M230 PolarHBondContact O-N 2.85Å; E227-M230 PolarHBondContact O-N 3.34Å; K228-M230 PolarHBondContact O-N 3.47Å; M230-E232 PolarHBondContact O-N 3.45Å; M230-R233 CarbonylContact O-C 3.55Å; M230-R233 PolarHBondContact O-N 3.42Å; M230-D234 PolarHBondContact O-N 3.44Å; M230-I235 HydrophobicContact CB-CB 4.19Å; M230-I235 HydrophobicContact CB-CG2 4.44Å; M230-I235 HydrophobicContact CE-CD1 4.11Å; M230-I235 HydrophobicContact CG-CG2 4.39Å; M230-I235 PolarHBondContact O-N 3.38Å; M230-I235 HydrophobicContact SD-CB 3.79Å; M230-I235 HydrophobicContact SD-CD1 4.14Å; M230-I235 HydrophobicContact SD-CG2 3.35Å; M230-I235 WeakPolarHBondContact SD-CG2 3.33Å; M230-I237 HydrophobicContact CB-CD1 4.41Å; M230-I237 HydrophobicContact CG-CD1 4.07Å; M230-I237 HydrophobicContact CG-CG1 4.16Å
231E92.6Very high94.9Very high155 Ų15551.9 Ų51.972%0.72425%0.25SC*.Hα-helixtrans-57.9-44.5173.9-173.4-176-156.400111.6E227 K228 R233 D234E227-E231 PolarHBondContact O-N 2.98Å; K228-E231 PolarHBondContact O-N 3.33Å; E231-R233 PolarHBondContact O-N 2.93Å; E231-D234 PolarHBondContact O-N 3.1Å
232E93.5Very high94.9Very high124 Ų12453.8 Ų53.858%0.57926%0.259SS*.THydrogen-bonded Turntrans-66.60.2175.6-73.4-173-168.400114.4K228 M230K228-E232 WeakPolarHBondContact CE-OE1 3.31Å; K228-E232 IonicContact NZ-OE1 3.18Å; K228-E232 PolarHBondContact NZ-OE1 3.25Å; K228-E232 WeakPolarHBondContact O-CB 3.44Å; K228-E232 WeakPolarHBondContact O-CG 3.37Å; K228-E232 PolarHBondContact O-N 2.92Å; M230-E232 PolarHBondContact O-N 3.45Å
233R92.3Very high95Very high37 Ų3753.7 Ų53.714%0.1426%0.258CS..THydrogen-bonded Turntrans-129.57.7180-71.4-179.3-178.875.3-10.2114.6A198 D199 E202 E229 M230 E231 I235A198-R233 VanDerWaalsContact CB-CZ 3.49Å; D199-R233 IonicContact OD1-CZ 3.33Å; D199-R233 IonicContact OD1-NH2 3.04Å; D199-R233 PolarHBondContact OD1-NH2 3.4Å; E202-R233 WeakPolarHBondContact OE2-CD 3.36Å; E202-R233 IonicContact OE2-CZ 2.67Å; E202-R233 IonicContact OE2-NE 3.51Å; E202-R233 PolarHBondContact OE2-NE 3.28Å; E229-R233 WeakPolarHBondContact O-CG 3.29Å; E229-R233 PolarHBondContact O-NH1 3.36Å; E229-R233 IonicContact OE2-CZ 2.7Å; E229-R233 IonicContact OE2-NH1 2.75Å; E229-R233 PolarHBondContact OE2-NH1 3.46Å; E229-R233 IonicContact OE2-NH2 3.1Å; E229-R233 PolarHBondContact OE2-NH2 2.89Å; M230-R233 CarbonylContact O-C 3.55Å; M230-R233 PolarHBondContact O-N 3.42Å; E231-R233 PolarHBondContact O-N 2.93Å; R233-I235 HydrophobicContact CB-CD1 3.7Å; R233-I235 HydrophobicContact CB-CG1 4Å; R233-I235 PolarHBondContact O-N 2.9Å
234D90.2Very high94.8Very high136 Ų13654.3 Ų54.373%0.72726%0.263SS*.THydrogen-bonded Turntrans56.528-173-61.9-63.3000113.9M230 E231M230-D234 PolarHBondContact O-N 3.44Å; E231-D234 PolarHBondContact O-N 3.1Å
235I93.8Very high94.5Very high20 Ų2050.2 Ų50.210%0.10324%0.244CC..  trans-96.3142.2177.5-62.8164.1000109.8I201 M230 R233I201-I235 HydrophobicContact CG2-CD1 3.92Å; I201-I235 HydrophobicContact CG2-CG2 4.2Å; M230-I235 HydrophobicContact CB-CB 4.19Å; M230-I235 HydrophobicContact CB-CG2 4.44Å; M230-I235 HydrophobicContact CE-CD1 4.11Å; M230-I235 HydrophobicContact CG-CG2 4.39Å; M230-I235 PolarHBondContact O-N 3.38Å; M230-I235 HydrophobicContact SD-CB 3.79Å; M230-I235 HydrophobicContact SD-CD1 4.14Å; M230-I235 HydrophobicContact SD-CG2 3.35Å; M230-I235 WeakPolarHBondContact SD-CG2 3.33Å; R233-I235 HydrophobicContact CB-CD1 3.7Å; R233-I235 HydrophobicContact CB-CG1 4Å; R233-I235 PolarHBondContact O-N 2.9Å
236C93.9Very high94.1Very high12 Ų1254.9 Ų54.98%0.08126%0.262CS..EExtended strand (participates in β ladder)trans-107.6145.1-177.8-71.30000114.5N207 W208 V209 P544 C546N207-C236 WeakPolarHBondContact O-CB 3.26Å; N207-C236 PolarHBondContact O-N 3.23Å; W208-C236 HydrophobicContact CE3-CB 3.61Å; W208-C236 HydrophobicContact CZ3-CB 3.8Å; V209-C236 PolarHBondContact N-O 3.49Å; V209-C236 VanDerWaalsContact N-O 3.08Å; C236-P544 HydrophobicContact CB-CG 4.43Å; C236-C546 HydrophobicContact CB-CB 3.94Å; C236-C546 WeakPolarHBondContact CB-SG 3.29Å; C236-C546 WeakPolarHBondContact SG-CB 3.28Å; C236-C546 CovalentContact SG-SG 2.01Å; C236-C546 PolarHBondContact SG-SG 3.41Å
237I95.3Very high93.8Very high43 Ų4357.8 Ų57.822%0.22128%0.275CS..EExtended strand (participates in β ladder)trans-105122.9170.2-60.7167.9000108V209 A211 F226 E227 M230 L239 N240V209-I237 HydrophobicContact CG2-CG1 4.04Å; V209-I237 CarbonylContact O-C 3.54Å; V209-I237 WeakPolarHBondContact O-CA 3.47Å; A211-I237 HydrophobicContact CB-CD1 4.43Å; A211-I237 HydrophobicContact CB-CG2 3.75Å; F226-I237 HydrophobicContact CD1-CD1 3.79Å; F226-I237 HydrophobicContact CE1-CD1 3.74Å; F226-I237 HydrophobicContact CE1-CG1 4.02Å; E227-I237 HydrophobicContact CB-CD1 4.37Å; E227-I237 HydrophobicContact CG-CD1 3.81Å; M230-I237 HydrophobicContact CB-CD1 4.41Å; M230-I237 HydrophobicContact CG-CD1 4.07Å; M230-I237 HydrophobicContact CG-CG1 4.16Å; I237-L239 WeakPolarHBondContact CG2-O 3.28Å; I237-N240 HydrophobicContact CG2-CB 4.12Å
238H94.3Very high93.6Very high72 Ų7259.5 Ų59.533%0.33328%0.283SS..EExtended strand (participates in β ladder)trans-80.9-39.6178.2175.5-116.3000112.6W208 V209 S262W208-H238 HydrophobicContact CD2-CB 4.03Å; W208-H238 AromaticContact CE2-CG 3.92Å; W208-H238 HydrophobicContact CE3-CB 4.17Å; W208-H238 HydrophobicContact CH2-CB 3.77Å; W208-H238 AromaticContact CH2-CD2 3.51Å; W208-H238 AromaticContact CH2-CG 3.96Å; W208-H238 HydrophobicContact CZ2-CB 3.6Å; W208-H238 AromaticContact CZ2-CD2 3.16Å; W208-H238 WeakPolarHBondContact CZ2-CD2 3.36Å; W208-H238 AromaticContact CZ2-CG 3.52Å; W208-H238 HydrophobicContact CZ3-CB 4.04Å; V209-H238 PolarHBondContact O-N 3.17Å; H238-S262 PolarHBondContact CE1-OG 2.95Å; H238-S262 PolarHBondContact ND1-OG 3.15Å
239L95.5Very high93.4Very high24 Ų2459.3 Ų59.313%0.12629%0.286CS..EExtended strand (participates in β ladder)trans-134.2128.7176.5-62.5171.2000107.4I210 A211 I237 E241 R258 I259I210-L239 HydrophobicContact CD1-CD1 4.35Å; I210-L239 HydrophobicContact CG1-CB 4.37Å; I210-L239 HydrophobicContact CG1-CD1 4.32Å; I210-L239 HydrophobicContact CG2-CB 4.22Å; A211-L239 PolarHBondContact N-O 2.99Å; I237-L239 WeakPolarHBondContact CG2-O 3.28Å; L239-E241 HydrophobicContact CB-CG 3.9Å; L239-R258 HydrophobicContact CD1-CB 3.87Å; L239-R258 HydrophobicContact CD2-CB 4.43Å; L239-I259 HydrophobicContact CD1-CG1 4.36Å
240N96.1Very high93.4Very high59 Ų5966 Ų6632%0.31631%0.312SS..EExtended strand (participates in β ladder)trans-114.9113.7164.2-17510.2000107.8A211 I223 E227 I237A211-N240 HydrophobicContact CB-CB 4.29Å; A211-N240 WeakPolarHBondContact O-CA 3.39Å; I223-N240 WeakPolarHBondContact CG1-OD1 3.47Å; E227-N240 PolarHBondContact OE1-ND2 2.95Å; I237-N240 HydrophobicContact CG2-CB 4.12Å
241E96.6Very high93.4Very high32 Ų3269 Ų6915%0.1533%0.326CS..EExtended strand (participates in β ladder)trans-130.8137.7-163.2-63.3-73.4-172.600111A211 V212 A213 L239 L255 R258A211-E241 PolarHBondContact O-N 3.31Å; V212-E241 CarbonylContact C-O 3.6Å; V212-E241 VanDerWaalsContact CA-O 3.3Å; V212-E241 WeakPolarHBondContact CA-O 3.41Å; V212-E241 HydrophobicContact CG2-CB 4.45Å; A213-E241 PolarHBondContact N-O 2.95Å; L239-E241 HydrophobicContact CB-CG 3.9Å; E241-L255 HydrophobicContact CB-CD1 3.72Å; E241-L255 HydrophobicContact CG-CD1 3.58Å; E241-R258 IonicContact OE1-CZ 2.72Å; E241-R258 VanDerWaalsContact OE1-CZ 3.31Å; E241-R258 IonicContact OE1-NE 3.02Å; E241-R258 PolarHBondContact OE1-NE 3.11Å; E241-R258 IonicContact OE1-NH2 3.89Å; E241-R258 PolarHBondContact OE1-NH2 3.05Å; E241-R258 VanDerWaalsContact OE1-NH2 3.09Å; E241-R258 IonicContact OE2-CZ 3.7Å; E241-R258 IonicContact OE2-NE 2.72Å; E241-R258 IonicContact OE2-NH2 3.06Å; E241-R258 PolarHBondContact OE2-NH2 3.05Å
242L96.8Very high93.5Very high47 Ų4762 Ų6225%0.24629%0.293CS..EExtended strand (participates in β ladder)trans-102.2145.3177.1-62.4176.8000110.8A213 D215 R220 F247A213-L242 HydrophobicContact CB-CD2 4.14Å; A213-L242 CarbonylContact O-C 3.46Å; A213-L242 VanDerWaalsContact O-CA 3.29Å; A213-L242 WeakPolarHBondContact O-CA 3.48Å; D215-L242 HydrophobicContact CB-CB 4.43Å; R220-L242 HydrophobicContact CG-CD2 4.31Å; L242-F247 WeakPolarHBondContact O-CE2 3.45Å
243I96.3Very high93.7Very high0 Ų061.4 Ų61.40%029%0.286CS..EExtended strand (participates in β ladder)trans-134.8155.3-179.551.4166.7000111.8V212 A213 S214 D215 L255 A271 I276V212-I243 HydrophobicContact CG1-CD1 3.49Å; V212-I243 VanDerWaalsContact CG1-CD1 3.49Å; V212-I243 HydrophobicContact CG1-CG1 3.76Å; V212-I243 HydrophobicContact CG1-CG2 4.03Å; A213-I243 VanDerWaalsContact O-CG1 3.29Å; A213-I243 WeakPolarHBondContact O-CG1 3.48Å; A213-I243 PolarHBondContact O-N 3.47Å; S214-I243 CarbonylContact C-O 3.53Å; S214-I243 WeakPolarHBondContact CA-O 3.47Å; D215-I243 PolarHBondContact N-O 2.66Å; I243-L255 HydrophobicContact CG2-CD2 3.36Å; I243-A271 HydrophobicContact CD1-CB 3.72Å; I243-A271 HydrophobicContact CG1-CB 4.26Å; I243-I276 HydrophobicContact CD1-CB 4.21Å; I243-I276 HydrophobicContact CD1-CD1 3.66Å
244S92.9Very high93.9Very high23 Ų2361.3 Ų61.316%0.16129%0.293CS..  trans-147.7148.8171.2-176.10000110.1Y246 F247S244-Y246 PolarHBondContact O-N 2.04Å; S244-Y246 PolarHBondContact OG-N 3.13Å; S244-F247 PolarHBondContact O-N 2.69Å; S244-F247 VanDerWaalsContact O-N 3.13Å
245Q88.1Confident94.1Very high30 Ų3055 Ų5514%0.1426%0.26CS..THydrogen-bonded Turntrans-62.1-8.5172.469166.7-28.700114.4F42 P274 D275F42-Q245 PolarHBondContact O-NE2 3.36Å; F42-Q245 PolarHBondContact O-OE1 2.83Å; Q245-P274 HydrophobicContact CB-CB 4.09Å; Q245-P274 WeakPolarHBondContact CB-O 3.25Å; Q245-P274 HydrophobicContact CG-CB 4.44Å; Q245-D275 PolarHBondContact N-OD1 2.92Å
246Y87.9Confident94.3Very high128 Ų12854.1 Ų54.150%0.50226%0.255SS..THydrogen-bonded Turntrans-103.66.2178.4-56.4-68.1000114.1T103 S244T103-Y246 WeakPolarHBondContact CG2-OH 3.44Å; S244-Y246 PolarHBondContact O-N 2.04Å; S244-Y246 PolarHBondContact OG-N 3.13Å
247F91.1Very high94.4Very high64 Ų6456.9 Ų56.928%0.28127%0.269SS..  trans-66.8146.1174.3-82.414.4000111.8L242 S244 E251 I252L242-F247 WeakPolarHBondContact O-CE2 3.45Å; S244-F247 PolarHBondContact O-N 2.69Å; S244-F247 VanDerWaalsContact O-N 3.13Å; F247-E251 HydrophobicContact CB-CB 4.36Å; F247-E251 HydrophobicContact CD2-CB 4.14Å; F247-E251 HydrophobicContact CG-CB 4.47Å; F247-I252 HydrophobicContact CB-CD1 3.89Å; F247-I252 HydrophobicContact CB-CG1 4.11Å; F247-I252 HydrophobicContact CD2-CD1 4.05Å; F247-I252 HydrophobicContact CG-CD1 4.46Å
248E92.1Very high94.4Very high121 Ų12159.4 Ų59.457%0.56528%0.276SS*.  trans-76155.3177.4-76.2-71.6175.500112.1Y250 E251 I252E248-Y250 HydrophobicContact CB-CD1 3.54Å; E248-Y250 HydrophobicContact CB-CE1 3.43Å; E248-Y250 VanDerWaalsContact CB-CE1 3.43Å; E248-Y250 HydrophobicContact CG-CD1 4.48Å; E248-Y250 HydrophobicContact CG-CE1 4.05Å; E248-Y250 PolarHBondContact O-N 3.38Å; E248-E251 HydrophobicContact CB-CG 4.39Å; E248-E251 PolarHBondContact N-OE2 2.78Å; E248-E251 WeakPolarHBondContact O-CB 3.09Å; E248-E251 PolarHBondContact O-N 2.89Å; E248-I252 PolarHBondContact O-N 2.88Å
249D91.8Very high94.5Very high103 Ų10356 Ų5655%0.55126%0.26SS*.Hα-helixtrans-55.6-29.2-175.3-121.852.2000112.9R253D249-R253 WeakPolarHBondContact O-CB 3.38Å; D249-R253 WeakPolarHBondContact O-CD 3.21Å; D249-R253 WeakPolarHBondContact O-CG 3.48Å; D249-R253 PolarHBondContact O-N 3.32Å; D249-R253 PolarHBondContact O-NE 3.36Å; D249-R253 IonicContact OD2-CZ 3.14Å; D249-R253 IonicContact OD2-NE 3.75Å; D249-R253 IonicContact OD2-NH2 2.75Å; D249-R253 PolarHBondContact OD2-NH2 2.97Å
250Y94.4Very high94.5Very high155 Ų15558.9 Ų58.961%0.60827%0.273SS*.Hα-helixtrans-76.8-29.8178.279.4-87.2000113.5E248 A254E248-Y250 HydrophobicContact CB-CD1 3.54Å; E248-Y250 HydrophobicContact CB-CE1 3.43Å; E248-Y250 VanDerWaalsContact CB-CE1 3.43Å; E248-Y250 HydrophobicContact CG-CD1 4.48Å; E248-Y250 HydrophobicContact CG-CE1 4.05Å; E248-Y250 PolarHBondContact O-N 3.38Å; Y250-A254 WeakPolarHBondContact O-CB 3.44Å; Y250-A254 PolarHBondContact O-N 3.07Å
251E95.6Very high94.5Very high64 Ų6462.9 Ų62.930%0.29929%0.294SS..Hα-helixtrans-73.1-44.7179.7-58.9179.1106.600110.1F247 E248 R253 A254 L255F247-E251 HydrophobicContact CB-CB 4.36Å; F247-E251 HydrophobicContact CD2-CB 4.14Å; F247-E251 HydrophobicContact CG-CB 4.47Å; E248-E251 HydrophobicContact CB-CG 4.39Å; E248-E251 PolarHBondContact N-OE2 2.78Å; E248-E251 WeakPolarHBondContact O-CB 3.09Å; E248-E251 PolarHBondContact O-N 2.89Å; E251-R253 PolarHBondContact O-N 3.48Å; E251-A254 PolarHBondContact O-N 3.22Å; E251-L255 PolarHBondContact O-N 2.72Å
252I96.1Very high94.4Very high7 Ų761.6 Ų61.64%0.03629%0.289CS..Hα-helixtrans-62.3-42.1174.8-60.2-60.5000111.3F247 E248 L255 A256 P278 E282F247-I252 HydrophobicContact CB-CD1 3.89Å; F247-I252 HydrophobicContact CB-CG1 4.11Å; F247-I252 HydrophobicContact CD2-CD1 4.05Å; F247-I252 HydrophobicContact CG-CD1 4.46Å; E248-I252 PolarHBondContact O-N 2.88Å; I252-L255 PolarHBondContact O-N 3.03Å; I252-A256 WeakPolarHBondContact O-CB 3.41Å; I252-A256 PolarHBondContact O-N 3.39Å; I252-P278 HydrophobicContact CD1-CB 3.95Å; I252-P278 HydrophobicContact CG1-CB 3.91Å; I252-P278 HydrophobicContact CG2-CB 4.22Å; I252-E282 HydrophobicContact CG2-CB 3.79Å; I252-E282 HydrophobicContact CG2-CG 4.2Å
253R96.1Very high94.2Very high113 Ų11363.8 Ų63.843%0.42630%0.304SS..Hα-helixtrans-61.8-46.8173.8-71.4163.4-163.7-171.74.1111.6D249 E251 L255 A256 D257 E282 R286D249-R253 WeakPolarHBondContact O-CB 3.38Å; D249-R253 WeakPolarHBondContact O-CD 3.21Å; D249-R253 WeakPolarHBondContact O-CG 3.48Å; D249-R253 PolarHBondContact O-N 3.32Å; D249-R253 PolarHBondContact O-NE 3.36Å; D249-R253 IonicContact OD2-CZ 3.14Å; D249-R253 IonicContact OD2-NE 3.75Å; D249-R253 IonicContact OD2-NH2 2.75Å; D249-R253 PolarHBondContact OD2-NH2 2.97Å; E251-R253 PolarHBondContact O-N 3.48Å; R253-L255 VanDerWaalsContact C-N 3.29Å; R253-L255 PolarHBondContact O-N 3.09Å; R253-A256 PolarHBondContact O-N 3.26Å; R253-D257 PolarHBondContact O-N 2.79Å; R253-E282 WeakPolarHBondContact CG-OE1 3.26Å; R253-R286 PolarHBondContact O-NH2 3.19Å; R253-R286 VanDerWaalsContact O-NH2 3.14Å
254A96.2Very high94.1Very high35 Ų3563.8 Ų63.829%0.28930%0.304SS..Hα-helixtrans-64.1-32.7178.500000112.8Y250 E251 D257 R258Y250-A254 WeakPolarHBondContact O-CB 3.44Å; Y250-A254 PolarHBondContact O-N 3.07Å; E251-A254 PolarHBondContact O-N 3.22Å; A254-D257 WeakPolarHBondContact CA-OD2 3.27Å; A254-R258 WeakPolarHBondContact O-CG 3.35Å; A254-R258 PolarHBondContact O-N 3.19Å; A254-R258 PolarHBondContact O-NH1 2.79Å
255L96.1Very high94.2Very high4 Ų465.3 Ų65.32%0.02131%0.308CS..Hα-helixtrans-69.4-45172.4177.257.1000111.4E241 I243 E251 I252 R253 D257 R258 I259 L279E241-L255 HydrophobicContact CB-CD1 3.72Å; E241-L255 HydrophobicContact CG-CD1 3.58Å; I243-L255 HydrophobicContact CG2-CD2 3.36Å; E251-L255 PolarHBondContact O-N 2.72Å; I252-L255 PolarHBondContact O-N 3.03Å; R253-L255 VanDerWaalsContact C-N 3.29Å; R253-L255 PolarHBondContact O-N 3.09Å; L255-D257 VanDerWaalsContact C-N 3.3Å; L255-D257 PolarHBondContact O-N 3.44Å; L255-R258 PolarHBondContact O-N 3.08Å; L255-R258 VanDerWaalsContact O-N 3.11Å; L255-I259 HydrophobicContact CD1-CD1 3.97Å; L255-I259 HydrophobicContact CD1-CG1 4.26Å; L255-I259 HydrophobicContact CG-CD1 3.99Å; L255-I259 WeakPolarHBondContact O-CG1 3.49Å; L255-I259 PolarHBondContact O-N 3.49Å; L255-L279 HydrophobicContact CD2-CD1 4.1Å; L255-L279 HydrophobicContact CD2-CD2 3.91Å; L255-L279 HydrophobicContact CG-CD1 4.07Å; L255-L279 HydrophobicContact CG-CD2 4.42Å
256A96.4Very high94.6Very high0 Ų064 Ų640%030%0.302CS..Hα-helixtrans-58.8-40.6173.600000111.8I252 R253 R258 I259 E260 L279 E282I252-A256 WeakPolarHBondContact O-CB 3.41Å; I252-A256 PolarHBondContact O-N 3.39Å; R253-A256 PolarHBondContact O-N 3.26Å; A256-R258 VanDerWaalsContact C-N 3.3Å; A256-R258 PolarHBondContact O-N 2.99Å; A256-I259 PolarHBondContact O-N 2.96Å; A256-E260 VanDerWaalsContact O-CB 3.22Å; A256-E260 WeakPolarHBondContact O-CB 3.09Å; A256-E260 PolarHBondContact O-N 3.03Å; A256-L279 HydrophobicContact CB-CD1 4.36Å; A256-E282 HydrophobicContact CB-CG 3.6Å
257D96.4Very high95.1Very high70 Ų7057.9 Ų57.937%0.37428%0.278SS..Hα-helixtrans-56.7-41.4173.8-61.8-32.1000112R253 A254 L255 N261 R286R253-D257 PolarHBondContact O-N 2.79Å; A254-D257 WeakPolarHBondContact CA-OD2 3.27Å; L255-D257 VanDerWaalsContact C-N 3.3Å; L255-D257 PolarHBondContact O-N 3.44Å; D257-N261 WeakPolarHBondContact O-CB 3.37Å; D257-N261 PolarHBondContact O-N 3.32Å; D257-N261 PolarHBondContact O-ND2 3.36Å; D257-R286 IonicContact OD1-CZ 3.4Å; D257-R286 IonicContact OD1-NH1 3.47Å; D257-R286 PolarHBondContact OD1-NH1 2.94Å; D257-R286 IonicContact OD1-NH2 3.71Å; D257-R286 PolarHBondContact OD1-NH2 2.84Å
258R96.4Very high95.4Very high96 Ų9654.8 Ų54.836%0.36226%0.264SS..Hα-helixtrans-71.3-40.1178.6-67-168.8-57.8-80.120.2112.5L239 E241 A254 L255 A256 S262L239-R258 HydrophobicContact CD1-CB 3.87Å; L239-R258 HydrophobicContact CD2-CB 4.43Å; E241-R258 IonicContact OE1-CZ 2.72Å; E241-R258 VanDerWaalsContact OE1-CZ 3.31Å; E241-R258 IonicContact OE1-NE 3.02Å; E241-R258 PolarHBondContact OE1-NE 3.11Å; E241-R258 IonicContact OE1-NH2 3.89Å; E241-R258 PolarHBondContact OE1-NH2 3.05Å; E241-R258 VanDerWaalsContact OE1-NH2 3.09Å; E241-R258 IonicContact OE2-CZ 3.7Å; E241-R258 IonicContact OE2-NE 2.72Å; E241-R258 IonicContact OE2-NH2 3.06Å; E241-R258 PolarHBondContact OE2-NH2 3.05Å; A254-R258 WeakPolarHBondContact O-CG 3.35Å; A254-R258 PolarHBondContact O-N 3.19Å; A254-R258 PolarHBondContact O-NH1 2.79Å; L255-R258 PolarHBondContact O-N 3.08Å; L255-R258 VanDerWaalsContact O-N 3.11Å; A256-R258 VanDerWaalsContact C-N 3.3Å; A256-R258 PolarHBondContact O-N 2.99Å; R258-S262 PolarHBondContact O-N 2.88Å
259I96.4Very high95.7Very high0 Ų049 Ų490%024%0.237CC..Hα-helixtrans-68.4-39.5178-67.2171.8000111.1I210 L239 L255 A256 S262 I267 L279 M283 R291I210-I259 HydrophobicContact CD1-CG1 4.47Å; I210-I259 HydrophobicContact CD1-CG2 4.29Å; L239-I259 HydrophobicContact CD1-CG1 4.36Å; L255-I259 HydrophobicContact CD1-CD1 3.97Å; L255-I259 HydrophobicContact CD1-CG1 4.26Å; L255-I259 HydrophobicContact CG-CD1 3.99Å; L255-I259 WeakPolarHBondContact O-CG1 3.49Å; L255-I259 PolarHBondContact O-N 3.49Å; A256-I259 PolarHBondContact O-N 2.96Å; I259-S262 PolarHBondContact O-N 2.94Å; I259-I267 HydrophobicContact CG2-CD1 3.74Å; I259-L279 HydrophobicContact CD1-CD1 4.26Å; I259-L279 HydrophobicContact CD1-CD2 3.94Å; I259-M283 HydrophobicContact CG2-CE 3.86Å; I259-M283 HydrophobicContact CG2-SD 4.28Å; I259-R291 PolarHBondContact O-NE 2.9Å; I259-R291 PolarHBondContact O-NH2 3.46Å
260E95.4Very high95.9Very high86 Ų8644.2 Ų44.240%0.40221%0.211SC..Hα-helixtrans-65.1-45.4178.8-169.9171.3177.300111.6A256 S262 R286 I288 R291A256-E260 VanDerWaalsContact O-CB 3.22Å; A256-E260 WeakPolarHBondContact O-CB 3.09Å; A256-E260 PolarHBondContact O-N 3.03Å; E260-S262 PolarHBondContact O-N 3.48Å; E260-R286 WeakPolarHBondContact OE2-CD 3.2Å; E260-R286 IonicContact OE2-CZ 3.24Å; E260-R286 IonicContact OE2-NE 3.78Å; E260-R286 IonicContact OE2-NH1 2.69Å; E260-R286 PolarHBondContact OE2-NH1 3.37Å; E260-I288 HydrophobicContact CB-CD1 3.84Å; E260-I288 HydrophobicContact CG-CD1 3.92Å; E260-I288 HydrophobicContact CG-CG1 4.18Å; E260-R291 PolarHBondContact O-NH2 3.29Å
261N94.9Very high96Very high142 Ų14236.8 Ų36.876%0.75918%0.182SC*.THydrogen-bonded Turntrans-73.7-7.3177.3-74.4-67.2000114.6D257D257-N261 WeakPolarHBondContact O-CB 3.37Å; D257-N261 PolarHBondContact O-N 3.32Å; D257-N261 PolarHBondContact O-ND2 3.36Å
262S94.1Very high95.8Very high6 Ų634.5 Ų34.54%0.04218%0.176CC..  trans-79.6141.9179.9-175.10000113.2H238 R258 I259 E260 A264 R291H238-S262 PolarHBondContact CE1-OG 2.95Å; H238-S262 PolarHBondContact ND1-OG 3.15Å; R258-S262 PolarHBondContact O-N 2.88Å; I259-S262 PolarHBondContact O-N 2.94Å; E260-S262 PolarHBondContact O-N 3.48Å; S262-A264 VanDerWaalsContact C-N 3.34Å; S262-A264 WeakPolarHBondContact OG-CB 3.32Å; S262-A264 PolarHBondContact OG-N 3.43Å; S262-A264 VanDerWaalsContact OG-N 3.11Å; S262-R291 PolarHBondContact O-NH2 2.99Å
263T93.1Very high95.6Very high92 Ų9234.4 Ų34.456%0.56418%0.177SC*.SBendtrans-73.4-23168.450.80000113.3W208 K265W208-T263 PolarHBondContact NE1-OG1 3.25Å; T263-K265 WeakPolarHBondContact O-CE 3.43Å; T263-K265 PolarHBondContact O-N 3.09Å
264A95Very high95.4Very high0 Ų029.5 Ų29.50%016%0.159CC..  trans-66.3130178.900000111W208 I210 S262 R291W208-A264 HydrophobicContact CG-CB 4.2Å; I210-A264 HydrophobicContact CD1-CB 4.13Å; I210-A264 HydrophobicContact CG1-CB 3.93Å; S262-A264 VanDerWaalsContact C-N 3.34Å; S262-A264 WeakPolarHBondContact OG-CB 3.32Å; S262-A264 PolarHBondContact OG-N 3.43Å; S262-A264 VanDerWaalsContact OG-N 3.11Å; A264-R291 PolarHBondContact O-NE 2.98Å
265K94.9Very high95.3Very high56 Ų5628.9 Ų28.924%0.24315%0.151CC..  trans-99.9-21.2-176.8-56.7-58.4173.5-171.90113T263 D290 R291 T292 F524 S525T263-K265 WeakPolarHBondContact O-CE 3.43Å; T263-K265 PolarHBondContact O-N 3.09Å; K265-D290 WeakPolarHBondContact CD-O 3.46Å; K265-D290 IonicContact NZ-OD2 3.3Å; K265-D290 PolarHBondContact NZ-OD2 3.12Å; K265-R291 CarbonylContact O-C 3.51Å; K265-R291 WeakPolarHBondContact O-CA 3.32Å; K265-T292 PolarHBondContact O-N 2.76Å; K265-F524 VanDerWaalsContact CG-O 3.26Å; K265-F524 WeakPolarHBondContact CG-O 3.43Å; K265-S525 PolarHBondContact N-OG 3.29Å
266V97.2Very high95.3Very high1 Ų128.7 Ų28.71%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-97.3125.4179.7174.80000111.1W206 V209 I210 V268 T292 S525W206-V266 HydrophobicContact CD2-CG2 3.64Å; W206-V266 HydrophobicContact CE3-CB 4.42Å; W206-V266 HydrophobicContact CE3-CG1 4.06Å; W206-V266 HydrophobicContact CE3-CG2 3.73Å; W206-V266 HydrophobicContact CG-CG2 4.21Å; W206-V266 HydrophobicContact CH2-CG2 4.05Å; W206-V266 HydrophobicContact CZ2-CG2 3.94Å; W206-V266 HydrophobicContact CZ3-CG1 4.12Å; W206-V266 HydrophobicContact CZ3-CG2 3.94Å; V209-V266 HydrophobicContact CG1-CB 4.16Å; V209-V266 HydrophobicContact CG1-CG1 4.11Å; I210-V266 PolarHBondContact N-O 3.37Å; V266-V268 HydrophobicContact CG1-CG2 4.46Å; V266-T292 CarbonylContact C-O 3.53Å; V266-T292 WeakPolarHBondContact CA-O 3.44Å; V266-S525 PolarHBondContact N-OG 2.82Å; V266-S525 VanDerWaalsContact N-OG 3.12Å
267I97.8Very high95.3Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-115.3115.7177.1-52.4175.9000108.9I210 V212 I259 V269 M283 R291 T292 W293 L294I210-I267 HydrophobicContact CB-CG1 4.21Å; I210-I267 HydrophobicContact CB-CG2 4.39Å; I210-I267 HydrophobicContact CD1-CG1 4.23Å; I210-I267 HydrophobicContact CG2-CG1 4.47Å; I210-I267 HydrophobicContact CG2-CG2 4.02Å; V212-I267 HydrophobicContact CG2-CG2 4.02Å; I259-I267 HydrophobicContact CG2-CD1 3.74Å; I267-V269 HydrophobicContact CG2-CG2 3.81Å; I267-M283 HydrophobicContact CD1-CE 4.36Å; I267-R291 HydrophobicContact CD1-CB 3.87Å; I267-R291 HydrophobicContact CD1-CG 3.88Å; I267-R291 HydrophobicContact CG1-CB 4.47Å; I267-T292 PolarHBondContact N-O 3.16Å; I267-W293 HydrophobicContact CB-CD2 4.43Å; I267-W293 HydrophobicContact CB-CE3 3.85Å; I267-W293 HydrophobicContact CB-CZ3 4.09Å; I267-W293 HydrophobicContact CD1-CD2 4.48Å; I267-W293 HydrophobicContact CD1-CE3 4.19Å; I267-W293 HydrophobicContact CD1-CH2 3.79Å; I267-W293 HydrophobicContact CD1-CZ2 4.07Å; I267-W293 HydrophobicContact CD1-CZ3 3.86Å; I267-W293 HydrophobicContact CG2-CE3 3.84Å; I267-W293 HydrophobicContact CG2-CZ3 3.72Å; I267-W293 CarbonylContact O-C 3.55Å; I267-W293 WeakPolarHBondContact O-CA 3.45Å; I267-L294 PolarHBondContact O-N 3.45Å
268V98.1Very high95.2Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-92.1127.1174.5-172.60000109M197 I201 I210 V212 F226 V266 L294M197-V268 HydrophobicContact CE-CG1 4.45Å; M197-V268 HydrophobicContact SD-CG1 3.69Å; I201-V268 HydrophobicContact CD1-CG2 3.92Å; I210-V268 PolarHBondContact O-N 2.97Å; V212-V268 PolarHBondContact N-O 3.22Å; F226-V268 HydrophobicContact CD2-CG1 4.41Å; F226-V268 HydrophobicContact CE1-CB 4.47Å; F226-V268 HydrophobicContact CE1-CG2 4.36Å; F226-V268 HydrophobicContact CE2-CG1 4.04Å; F226-V268 HydrophobicContact CE2-CG2 4.16Å; F226-V268 HydrophobicContact CZ-CB 4.14Å; F226-V268 HydrophobicContact CZ-CG1 4.16Å; F226-V268 HydrophobicContact CZ-CG2 3.69Å; V266-V268 HydrophobicContact CG1-CG2 4.46Å; V268-L294 HydrophobicContact CG1-CD2 4.34Å; V268-L294 HydrophobicContact CG2-CB 4.22Å; V268-L294 HydrophobicContact CG2-CD2 4.07Å
269V97.6Very high95.2Very high0 Ų023.1 Ų23.10%013%0.129CC..EExtended strand (participates in β ladder)trans-126109.2-171.8-1760000112.6V212 I267 A271 I276 W293 L294 S296 W299V212-V269 HydrophobicContact CB-CG2 4.37Å; V212-V269 CarbonylContact O-C 3.55Å; V212-V269 VanDerWaalsContact O-CA 3.3Å; V212-V269 WeakPolarHBondContact O-CA 3.38Å; I267-V269 HydrophobicContact CG2-CG2 3.81Å; V269-A271 HydrophobicContact CG1-CB 3.98Å; V269-I276 HydrophobicContact CG1-CB 4.46Å; V269-I276 HydrophobicContact CG1-CD1 3.65Å; V269-I276 HydrophobicContact CG1-CG1 3.91Å; V269-I276 HydrophobicContact CG2-CD1 4.36Å; V269-W293 HydrophobicContact CG2-CE3 3.67Å; V269-W293 HydrophobicContact CG2-CZ3 3.88Å; V269-L294 PolarHBondContact N-O 3.26Å; V269-S296 WeakPolarHBondContact O-CB 3.3Å; V269-S296 PolarHBondContact O-N 3.4Å; V269-S296 PolarHBondContact O-OG 3.49Å; V269-W299 HydrophobicContact CB-CZ2 3.64Å; V269-W299 HydrophobicContact CG1-CZ2 4.04Å; V269-W299 VanDerWaalsContact CG1-NE1 3.3Å; V269-W299 HydrophobicContact CG2-CZ2 3.86Å; V269-W299 PolarHBondContact O-NE1 3.26Å; V269-W299 VanDerWaalsContact O-NE1 3.1Å
270F95.6Very high95.2Very high1 Ų123.1 Ų23.10%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-106.264.4177.8-133.7-86000111.2D190 V194 M197 V212 A213 S214 Y218 G219 I223D190-F270 HydrophobicContact CB-CE1 4.13Å; D190-F270 HydrophobicContact CB-CZ 3.75Å; D190-F270 VanDerWaalsContact CG-CZ 3.45Å; D190-F270 WeakPolarHBondContact OD1-CZ 3.38Å; V194-F270 HydrophobicContact CG2-CD2 4.26Å; V194-F270 HydrophobicContact CG2-CE2 3.59Å; V194-F270 HydrophobicContact CG2-CZ 3.89Å; M197-F270 HydrophobicContact CE-CD2 4.14Å; M197-F270 HydrophobicContact CE-CE2 4.15Å; M197-F270 HydrophobicContact SD-CD2 4Å; M197-F270 HydrophobicContact SD-CE2 4.05Å; V212-F270 PolarHBondContact O-N 3.15Å; A213-F270 VanDerWaalsContact CA-O 3.26Å; A213-F270 WeakPolarHBondContact CA-O 3.37Å; A213-F270 HydrophobicContact CB-CB 4.09Å; S214-F270 PolarHBondContact N-O 3.42Å; Y218-F270 HydrophobicContact CD1-CD1 4.31Å; Y218-F270 HydrophobicContact CD2-CD1 4.41Å; Y218-F270 AromaticContact CD2-CE1 3.94Å; Y218-F270 HydrophobicContact CD2-CE1 3.94Å; Y218-F270 AromaticContact CE1-CD1 3.9Å; Y218-F270 HydrophobicContact CE1-CD1 3.9Å; Y218-F270 HydrophobicContact CE1-CE1 4.13Å; Y218-F270 HydrophobicContact CE2-CD1 4.02Å; Y218-F270 AromaticContact CE2-CE1 3.4Å; Y218-F270 HydrophobicContact CE2-CE1 3.4Å; Y218-F270 HydrophobicContact CE2-CZ 4.14Å; Y218-F270 AromaticContact CZ-CD1 3.75Å; Y218-F270 AromaticContact CZ-CE1 3.5Å; G219-F270 VanDerWaalsContact CA-O 3.27Å; G219-F270 WeakPolarHBondContact CA-O 3.15Å; I223-F270 HydrophobicContact CD1-CB 4.32Å
271A95.7Very high95.2Very high0 Ų023.5 Ų23.50%013%0.13CC..  trans-141.5159.7-173.100000112.9I243 V269I243-A271 HydrophobicContact CD1-CB 3.72Å; I243-A271 HydrophobicContact CG1-CB 4.26Å; V269-A271 HydrophobicContact CG1-CB 3.98Å
272G92.8Very high95.3Very high16 Ų1617.4 Ų17.417%0.16510%0.096CC..  trans-70.1155171.200000112.8P274 D275 I276G272-P274 VanDerWaalsContact C-CD 3.5Å; G272-P274 VanDerWaalsContact C-N 3.35Å; G272-D275 PolarHBondContact O-N 2.98Å; G272-D275 VanDerWaalsContact O-N 3.14Å; G272-I276 PolarHBondContact O-N 3.29Å
273G92.3Very high95.3Very high5 Ų517.1 Ų17.15%0.0529%0.094CC..Hα-helixtrans-52.3-41174.800000115.3E277G273-E277 PolarHBondContact O-N 3.01Å
274P92.1Very high95.4Very high9 Ų914.8 Ų14.86%0.0588%0.08CC..Hα-helixtrans-69.3-33.5176.1-22.736000113.9F42 Q245 G272 P278 L304F42-P274 HydrophobicContact CB-CG 4.27Å; F42-P274 HydrophobicContact CD1-CG 3.58Å; F42-P274 HydrophobicContact CE1-CG 4.28Å; F42-P274 HydrophobicContact CG-CG 4.24Å; Q245-P274 HydrophobicContact CB-CB 4.09Å; Q245-P274 WeakPolarHBondContact CB-O 3.25Å; Q245-P274 HydrophobicContact CG-CB 4.44Å; G272-P274 VanDerWaalsContact C-CD 3.5Å; G272-P274 VanDerWaalsContact C-N 3.35Å; P274-P278 WeakPolarHBondContact O-CD 3.39Å; P274-L304 HydrophobicContact CG-CD1 4.15Å
275D94.1Very high95.5Very high22 Ų2222.4 Ų22.412%0.11811%0.109CC..Hα-helixtrans-77.6-32.8-173.2-52.3-78.2000112.5Q245 G272 P278Q245-D275 PolarHBondContact N-OD1 2.92Å; G272-D275 PolarHBondContact O-N 2.98Å; G272-D275 VanDerWaalsContact O-N 3.14Å; D275-P278 WeakPolarHBondContact O-CD 3.24Å
276I95.8Very high95.4Very high0 Ų022.5 Ų22.50%011%0.108CC..Hα-helixtrans-82.2-19.9176.2-164.861.3000113V212 I243 V269 G272 L279 I280 W299 I305V212-I276 HydrophobicContact CG1-CD1 4.35Å; I243-I276 HydrophobicContact CD1-CB 4.21Å; I243-I276 HydrophobicContact CD1-CD1 3.66Å; V269-I276 HydrophobicContact CG1-CB 4.46Å; V269-I276 HydrophobicContact CG1-CD1 3.65Å; V269-I276 HydrophobicContact CG1-CG1 3.91Å; V269-I276 HydrophobicContact CG2-CD1 4.36Å; G272-I276 PolarHBondContact O-N 3.29Å; I276-L279 HydrophobicContact CD1-CB 4.35Å; I276-L279 HydrophobicContact CD1-CD2 3.98Å; I276-L279 PolarHBondContact O-N 3.44Å; I276-I280 HydrophobicContact CG1-CD1 4.28Å; I276-I280 HydrophobicContact CG1-CG1 4.06Å; I276-I280 PolarHBondContact O-N 2.9Å; I276-I280 VanDerWaalsContact O-N 3.08Å; I276-W299 HydrophobicContact CG2-CB 4.23Å; I276-W299 HydrophobicContact CG2-CD2 4.3Å; I276-W299 HydrophobicContact CG2-CE3 4.43Å; I276-W299 HydrophobicContact CG2-CG 4.26Å; I276-I305 HydrophobicContact CG2-CD1 4Å; I276-I305 HydrophobicContact CG2-CG1 4.09Å
277E94.9Very high95.3Very high12 Ų1227.8 Ų27.86%0.05614%0.136CC..Hα-helixtrans-57.8-42.7-176.4-171.5-172.5166.700114.8R62 G273 L279 I280 K281 I305R62-E277 IonicContact CZ-OE2 3.8Å; R62-E277 IonicContact NH1-OE2 3.51Å; R62-E277 IonicContact NH2-OE1 3.4Å; R62-E277 PolarHBondContact NH2-OE1 2.83Å; R62-E277 IonicContact NH2-OE2 3.38Å; R62-E277 PolarHBondContact NH2-OE2 3.48Å; G273-E277 PolarHBondContact O-N 3.01Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 3.01Å; E277-I280 PolarHBondContact O-N 3.04Å; E277-K281 HydrophobicContact CG-CD 4.27Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-N 3.3Å; E277-K281 WeakPolarHBondContact OE1-CE 3.49Å; E277-K281 IonicContact OE1-NZ 2.7Å; E277-K281 PolarHBondContact OE1-NZ 3.32Å; E277-I305 HydrophobicContact CB-CD1 3.75Å; E277-I305 HydrophobicContact CG-CD1 4.05Å
278P95.1Very high95.1Very high38 Ų3828.2 Ų28.225%0.24714%0.138CC..Hα-helixtrans-60.9-41.5176.2-22.934.6000112.3I252 P274 D275 K281 E282I252-P278 HydrophobicContact CD1-CB 3.95Å; I252-P278 HydrophobicContact CG1-CB 3.91Å; I252-P278 HydrophobicContact CG2-CB 4.22Å; P274-P278 WeakPolarHBondContact O-CD 3.39Å; D275-P278 WeakPolarHBondContact O-CD 3.24Å; P278-K281 PolarHBondContact O-N 3.49Å; P278-E282 PolarHBondContact O-N 2.88Å
279L96.6Very high94.8Very high0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-68.1-43.8-179.4-176.761.1000111.9V212 L255 A256 I259 I276 E277 K281 E282 M283V212-L279 HydrophobicContact CG1-CD2 4.48Å; L255-L279 HydrophobicContact CD2-CD1 4.1Å; L255-L279 HydrophobicContact CD2-CD2 3.91Å; L255-L279 HydrophobicContact CG-CD1 4.07Å; L255-L279 HydrophobicContact CG-CD2 4.42Å; A256-L279 HydrophobicContact CB-CD1 4.36Å; I259-L279 HydrophobicContact CD1-CD1 4.26Å; I259-L279 HydrophobicContact CD1-CD2 3.94Å; I276-L279 HydrophobicContact CD1-CB 4.35Å; I276-L279 HydrophobicContact CD1-CD2 3.98Å; I276-L279 PolarHBondContact O-N 3.44Å; E277-L279 VanDerWaalsContact C-N 3.33Å; E277-L279 PolarHBondContact O-N 3.01Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.12Å; L279-E282 PolarHBondContact O-N 3.42Å; L279-M283 HydrophobicContact CD1-CG 4.34Å; L279-M283 HydrophobicContact CD1-SD 4.35Å; L279-M283 HydrophobicContact CG-SD 4.25Å; L279-M283 WeakPolarHBondContact O-CG 3.37Å; L279-M283 PolarHBondContact O-N 3.43Å
280I96.4Very high94.4Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-62.3-42.1175.6-59-53.8000110.9I276 E277 E282 M283 V284 W293 I305 F310 V314I276-I280 HydrophobicContact CG1-CD1 4.28Å; I276-I280 HydrophobicContact CG1-CG1 4.06Å; I276-I280 PolarHBondContact O-N 2.9Å; I276-I280 VanDerWaalsContact O-N 3.08Å; E277-I280 PolarHBondContact O-N 3.04Å; I280-E282 PolarHBondContact O-N 3.02Å; I280-M283 PolarHBondContact O-N 3.5Å; I280-V284 HydrophobicContact CG2-CG2 4.22Å; I280-V284 WeakPolarHBondContact O-CB 3.32Å; I280-V284 VanDerWaalsContact O-CG2 3.26Å; I280-V284 WeakPolarHBondContact O-CG2 3.39Å; I280-V284 PolarHBondContact O-N 2.98Å; I280-W293 HydrophobicContact CD1-CE3 4.49Å; I280-W293 HydrophobicContact CD1-CH2 3.42Å; I280-W293 VanDerWaalsContact CD1-CH2 3.42Å; I280-W293 HydrophobicContact CD1-CZ2 3.63Å; I280-W293 HydrophobicContact CD1-CZ3 3.9Å; I280-I305 HydrophobicContact CG1-CD1 4.37Å; I280-I305 HydrophobicContact CG1-CG2 4.13Å; I280-I305 HydrophobicContact CG2-CG2 4.32Å; I280-F310 HydrophobicContact CG2-CB 4.27Å; I280-F310 HydrophobicContact CG2-CD2 3.97Å; I280-F310 HydrophobicContact CG2-CG 4.11Å; I280-V314 HydrophobicContact CD1-CG1 3.77Å; I280-V314 HydrophobicContact CG1-CG1 4.35Å; I280-V314 HydrophobicContact CG2-CG1 3.97Å
281K95.6Very high94.3Very high94 Ų9434.6 Ų34.641%0.40917%0.174SC..Hα-helixtrans-59.6-44.2175.6-76.8174.3-178.7168.90112.4E277 P278 L279 V284 R285 F310E277-K281 HydrophobicContact CG-CD 4.27Å; E277-K281 WeakPolarHBondContact O-CG 3.38Å; E277-K281 PolarHBondContact O-N 3.3Å; E277-K281 WeakPolarHBondContact OE1-CE 3.49Å; E277-K281 IonicContact OE1-NZ 2.7Å; E277-K281 PolarHBondContact OE1-NZ 3.32Å; P278-K281 PolarHBondContact O-N 3.49Å; L279-K281 VanDerWaalsContact C-N 3.33Å; L279-K281 PolarHBondContact O-N 3.12Å; K281-V284 PolarHBondContact O-N 2.85Å; K281-R285 WeakPolarHBondContact O-CB 3.41Å; K281-R285 PolarHBondContact O-N 3.38Å; K281-F310 HydrophobicContact CG-CE1 4.42Å; K281-F310 HydrophobicContact CG-CZ 3.87Å
282E95.9Very high94.3Very high13 Ų1335 Ų356%0.06118%0.176CC..Hα-helixtrans-66.2-40.6177.8176.561.5-17300111.9I252 R253 A256 P278 L279 I280 R285 R286I252-E282 HydrophobicContact CG2-CB 3.79Å; I252-E282 HydrophobicContact CG2-CG 4.2Å; R253-E282 WeakPolarHBondContact CG-OE1 3.26Å; A256-E282 HydrophobicContact CB-CG 3.6Å; P278-E282 PolarHBondContact O-N 2.88Å; L279-E282 PolarHBondContact O-N 3.42Å; I280-E282 PolarHBondContact O-N 3.02Å; E282-R285 VanDerWaalsContact CD-NH2 3.27Å; E282-R285 WeakPolarHBondContact O-CB 3.18Å; E282-R285 PolarHBondContact O-N 3.23Å; E282-R285 IonicContact OE1-CZ 2.71Å; E282-R285 IonicContact OE1-NE 2.71Å; E282-R285 IonicContact OE1-NH2 3.31Å; E282-R285 PolarHBondContact OE1-NH2 3.48Å; E282-R285 IonicContact OE2-CZ 3.7Å; E282-R285 VanDerWaalsContact OE2-CZ 3.3Å; E282-R285 IonicContact OE2-NE 3.09Å; E282-R285 PolarHBondContact OE2-NE 2.92Å; E282-R285 IonicContact OE2-NH2 3.88Å; E282-R285 PolarHBondContact OE2-NH2 3.34Å; E282-R286 WeakPolarHBondContact O-CG 3.3Å; E282-R286 PolarHBondContact O-N 3.36Å; E282-R286 IonicContact OE1-CZ 3.52Å; E282-R286 IonicContact OE1-NE 2.76Å; E282-R286 PolarHBondContact OE1-NE 3.45Å; E282-R286 IonicContact OE1-NH2 3.9Å; E282-R286 PolarHBondContact OE1-NH2 2.9Å
283M95.5Very high94.5Very high0 Ų034.2 Ų34.20%017%0.168CC..Hα-helixtrans-68.4-34.8176.3-69-174.968.800112.9I259 I267 L279 I280 R286 N287 I288 R291 W293 V313I259-M283 HydrophobicContact CG2-CE 3.86Å; I259-M283 HydrophobicContact CG2-SD 4.28Å; I267-M283 HydrophobicContact CD1-CE 4.36Å; L279-M283 HydrophobicContact CD1-CG 4.34Å; L279-M283 HydrophobicContact CD1-SD 4.35Å; L279-M283 HydrophobicContact CG-SD 4.25Å; L279-M283 WeakPolarHBondContact O-CG 3.37Å; L279-M283 PolarHBondContact O-N 3.43Å; I280-M283 PolarHBondContact O-N 3.5Å; M283-R286 CarbonylContact O-C 3.5Å; M283-R286 PolarHBondContact O-N 3.21Å; M283-N287 PolarHBondContact O-N 3Å; M283-I288 HydrophobicContact CB-CB 4.46Å; M283-I288 HydrophobicContact CB-CD1 4.46Å; M283-I288 HydrophobicContact CE-CB 3.94Å; M283-I288 HydrophobicContact CE-CD1 4.33Å; M283-I288 HydrophobicContact CE-CG2 3.64Å; M283-I288 HydrophobicContact CG-CD1 4.14Å; M283-I288 PolarHBondContact O-N 3.11Å; M283-R291 HydrophobicContact CE-CG 4.11Å; M283-W293 HydrophobicContact CE-CH2 4.1Å; M283-W293 HydrophobicContact CE-CZ2 3.83Å; M283-W293 HydrophobicContact SD-CH2 3.51Å; M283-W293 VanDerWaalsContact SD-CH2 3.51Å; M283-W293 HydrophobicContact SD-CZ2 3.75Å; M283-V313 HydrophobicContact CB-CG1 3.98Å
284V95.4Very high94.7Very high43 Ų4334.1 Ų34.126%0.26117%0.167SC..Hα-helixtrans-67.1-42.3170.3170.90000111I280 K281 R286 N287 F310 V313I280-V284 HydrophobicContact CG2-CG2 4.22Å; I280-V284 WeakPolarHBondContact O-CB 3.32Å; I280-V284 VanDerWaalsContact O-CG2 3.26Å; I280-V284 WeakPolarHBondContact O-CG2 3.39Å; I280-V284 PolarHBondContact O-N 2.98Å; K281-V284 PolarHBondContact O-N 2.85Å; V284-R286 PolarHBondContact O-N 3.34Å; V284-N287 PolarHBondContact O-N 2.7Å; V284-F310 HydrophobicContact CB-CD1 4.29Å; V284-F310 HydrophobicContact CG1-CD1 4.11Å; V284-F310 HydrophobicContact CG2-CB 4.18Å; V284-F310 HydrophobicContact CG2-CD1 3.74Å; V284-F310 HydrophobicContact CG2-CG 4.18Å; V284-V313 HydrophobicContact CB-CG2 4.3Å; V284-V313 HydrophobicContact CG2-CB 3.78Å; V284-V313 HydrophobicContact CG2-CG1 4.35Å; V284-V313 HydrophobicContact CG2-CG2 3.59Å
285R95.4Very high94.9Very high161 Ų16133.7 Ų33.761%0.60816%0.164SC*.Hα-helixtrans-60.5-27175.1-164.3-167.964.968.91.3112.8K281 E282K281-R285 WeakPolarHBondContact O-CB 3.41Å; K281-R285 PolarHBondContact O-N 3.38Å; E282-R285 VanDerWaalsContact CD-NH2 3.27Å; E282-R285 WeakPolarHBondContact O-CB 3.18Å; E282-R285 PolarHBondContact O-N 3.23Å; E282-R285 IonicContact OE1-CZ 2.71Å; E282-R285 IonicContact OE1-NE 2.71Å; E282-R285 IonicContact OE1-NH2 3.31Å; E282-R285 PolarHBondContact OE1-NH2 3.48Å; E282-R285 IonicContact OE2-CZ 3.7Å; E282-R285 VanDerWaalsContact OE2-CZ 3.3Å; E282-R285 IonicContact OE2-NE 3.09Å; E282-R285 PolarHBondContact OE2-NE 2.92Å; E282-R285 IonicContact OE2-NH2 3.88Å; E282-R285 PolarHBondContact OE2-NH2 3.34Å
286R94.3Very high95Very high58 Ų5832.7 Ų32.722%0.21916%0.158CC..Hα-helixtrans-93-13.1174.9-67.8175.5-178-129.33.4114.6R253 D257 E260 E282 M283 V284 I288R253-R286 PolarHBondContact O-NH2 3.19Å; R253-R286 VanDerWaalsContact O-NH2 3.14Å; D257-R286 IonicContact OD1-CZ 3.4Å; D257-R286 IonicContact OD1-NH1 3.47Å; D257-R286 PolarHBondContact OD1-NH1 2.94Å; D257-R286 IonicContact OD1-NH2 3.71Å; D257-R286 PolarHBondContact OD1-NH2 2.84Å; E260-R286 WeakPolarHBondContact OE2-CD 3.2Å; E260-R286 IonicContact OE2-CZ 3.24Å; E260-R286 IonicContact OE2-NE 3.78Å; E260-R286 IonicContact OE2-NH1 2.69Å; E260-R286 PolarHBondContact OE2-NH1 3.37Å; E282-R286 WeakPolarHBondContact O-CG 3.3Å; E282-R286 PolarHBondContact O-N 3.36Å; E282-R286 IonicContact OE1-CZ 3.52Å; E282-R286 IonicContact OE1-NE 2.76Å; E282-R286 PolarHBondContact OE1-NE 3.45Å; E282-R286 IonicContact OE1-NH2 3.9Å; E282-R286 PolarHBondContact OE1-NH2 2.9Å; M283-R286 CarbonylContact O-C 3.5Å; M283-R286 PolarHBondContact O-N 3.21Å; V284-R286 PolarHBondContact O-N 3.34Å; R286-I288 HydrophobicContact CB-CD1 3.88Å; R286-I288 HydrophobicContact CB-CG1 3.81Å; R286-I288 HydrophobicContact CG-CD1 4.45Å
287N94.1Very high94.9Very high112 Ų11233.1 Ų33.160%0.59916%0.16SC*.THydrogen-bonded Turntrans5944-172.1-166.755.5000113.7M283 V284 T289M283-N287 PolarHBondContact O-N 3Å; V284-N287 PolarHBondContact O-N 2.7Å; N287-T289 PolarHBondContact O-N 3.13Å; N287-T289 WeakPolarHBondContact OD1-CG2 3.46Å
288I93.6Very high94.8Very high8 Ų834.5 Ų34.54%0.04117%0.174CC..  trans-81.891.5175.7-58.9163.9000109.4E260 M283 R286 R291E260-I288 HydrophobicContact CB-CD1 3.84Å; E260-I288 HydrophobicContact CG-CD1 3.92Å; E260-I288 HydrophobicContact CG-CG1 4.18Å; M283-I288 HydrophobicContact CB-CB 4.46Å; M283-I288 HydrophobicContact CB-CD1 4.46Å; M283-I288 HydrophobicContact CE-CB 3.94Å; M283-I288 HydrophobicContact CE-CD1 4.33Å; M283-I288 HydrophobicContact CE-CG2 3.64Å; M283-I288 HydrophobicContact CG-CD1 4.14Å; M283-I288 PolarHBondContact O-N 3.11Å; R286-I288 HydrophobicContact CB-CD1 3.88Å; R286-I288 HydrophobicContact CB-CG1 3.81Å; R286-I288 HydrophobicContact CG-CD1 4.45Å; I288-R291 HydrophobicContact CG2-CG 4.08Å
289T91.8Very high94.7Very high51 Ų5132.7 Ų32.731%0.31316%0.162SC..  trans-106.74.3-171.261.30000114.5N287 D312 V313 N516N287-T289 PolarHBondContact O-N 3.13Å; N287-T289 WeakPolarHBondContact OD1-CG2 3.46Å; T289-D312 WeakPolarHBondContact CB-O 3.29Å; T289-D312 HydrophobicContact CG2-CB 4.38Å; T289-D312 WeakPolarHBondContact CG2-O 3.17Å; T289-V313 HydrophobicContact CG2-CG2 4.23Å; T289-N516 PolarHBondContact O-ND2 2.86Å; T289-N516 PolarHBondContact O-OD1 3.21Å
290D90.3Very high94.5Very high82 Ų8232.8 Ų32.844%0.43916%0.163SC..SBendtrans-103.541.2179.575.6-39.9000112.4K265K265-D290 WeakPolarHBondContact CD-O 3.46Å; K265-D290 IonicContact NZ-OD2 3.3Å; K265-D290 PolarHBondContact NZ-OD2 3.12Å
291R93.6Very high94.2Very high3 Ų333.6 Ų33.61%0.01117%0.168CC..  trans-128.6146175.4-62.5-66.9178.8-76-8.4111.1I259 E260 S262 A264 K265 I267 M283 I288 N516I259-R291 PolarHBondContact O-NE 2.9Å; I259-R291 PolarHBondContact O-NH2 3.46Å; E260-R291 PolarHBondContact O-NH2 3.29Å; S262-R291 PolarHBondContact O-NH2 2.99Å; A264-R291 PolarHBondContact O-NE 2.98Å; K265-R291 CarbonylContact O-C 3.51Å; K265-R291 WeakPolarHBondContact O-CA 3.32Å; I267-R291 HydrophobicContact CD1-CB 3.87Å; I267-R291 HydrophobicContact CD1-CG 3.88Å; I267-R291 HydrophobicContact CG1-CB 4.47Å; M283-R291 HydrophobicContact CE-CG 4.11Å; I288-R291 HydrophobicContact CG2-CG 4.08Å; R291-N516 WeakPolarHBondContact O-CB 3.16Å; R291-N516 PolarHBondContact O-ND2 3.27Å
292T94.9Very high93.8Very high7 Ų729.6 Ų29.64%0.04315%0.153CC..EExtended strand (participates in β ladder)trans-117.8131.4177.9-690000108.9K265 V266 I267 W515 P523K265-T292 PolarHBondContact O-N 2.76Å; V266-T292 CarbonylContact C-O 3.53Å; V266-T292 WeakPolarHBondContact CA-O 3.44Å; I267-T292 PolarHBondContact N-O 3.16Å; T292-W515 HydrophobicContact CG2-CE3 3.7Å; T292-W515 HydrophobicContact CG2-CZ3 3.77Å; T292-P523 HydrophobicContact CG2-CG 4.33Å
293W96.5Very high93.5Very high1 Ų130.9 Ų30.90%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-107137.3-171.1-54.986.1000111.7I267 V269 I280 M283 W299 V313 T317 I318I267-W293 HydrophobicContact CB-CD2 4.43Å; I267-W293 HydrophobicContact CB-CE3 3.85Å; I267-W293 HydrophobicContact CB-CZ3 4.09Å; I267-W293 HydrophobicContact CD1-CD2 4.48Å; I267-W293 HydrophobicContact CD1-CE3 4.19Å; I267-W293 HydrophobicContact CD1-CH2 3.79Å; I267-W293 HydrophobicContact CD1-CZ2 4.07Å; I267-W293 HydrophobicContact CD1-CZ3 3.86Å; I267-W293 HydrophobicContact CG2-CE3 3.84Å; I267-W293 HydrophobicContact CG2-CZ3 3.72Å; I267-W293 CarbonylContact O-C 3.55Å; I267-W293 WeakPolarHBondContact O-CA 3.45Å; V269-W293 HydrophobicContact CG2-CE3 3.67Å; V269-W293 HydrophobicContact CG2-CZ3 3.88Å; I280-W293 HydrophobicContact CD1-CE3 4.49Å; I280-W293 HydrophobicContact CD1-CH2 3.42Å; I280-W293 VanDerWaalsContact CD1-CH2 3.42Å; I280-W293 HydrophobicContact CD1-CZ2 3.63Å; I280-W293 HydrophobicContact CD1-CZ3 3.9Å; M283-W293 HydrophobicContact CE-CH2 4.1Å; M283-W293 HydrophobicContact CE-CZ2 3.83Å; M283-W293 HydrophobicContact SD-CH2 3.51Å; M283-W293 VanDerWaalsContact SD-CH2 3.51Å; M283-W293 HydrophobicContact SD-CZ2 3.75Å; W293-W299 HydrophobicContact CB-CH2 4.07Å; W293-W299 HydrophobicContact CB-CZ2 4.45Å; W293-W299 HydrophobicContact CD2-CH2 4.43Å; W293-W299 HydrophobicContact CE3-CH2 4.27Å; W293-W299 HydrophobicContact CE3-CZ2 4.46Å; W293-W299 HydrophobicContact CG-CH2 4.38Å; W293-V313 HydrophobicContact CZ2-CG1 4.16Å; W293-V313 PolarHBondContact NE1-O 3.43Å; W293-T317 HydrophobicContact CB-CG2 3.91Å; W293-T317 WeakPolarHBondContact CB-OG1 3.44Å; W293-I318 PolarHBondContact O-N 3.18Å
294L97.5Very high93.1Very high3 Ų331.9 Ų31.92%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-110.599.4169.3-170.762.1000108.5M197 I200 I201 I267 V268 V269 I318 F320M197-L294 HydrophobicContact CB-CD2 3.77Å; M197-L294 HydrophobicContact CG-CD2 3.82Å; M197-L294 HydrophobicContact CG-CG 4.1Å; I200-L294 HydrophobicContact CD1-CD1 4.29Å; I200-L294 HydrophobicContact CG2-CD1 4.14Å; I201-L294 HydrophobicContact CD1-CD2 4.06Å; I201-L294 HydrophobicContact CG1-CD2 4.1Å; I267-L294 PolarHBondContact O-N 3.45Å; V268-L294 HydrophobicContact CG1-CD2 4.34Å; V268-L294 HydrophobicContact CG2-CB 4.22Å; V268-L294 HydrophobicContact CG2-CD2 4.07Å; V269-L294 PolarHBondContact N-O 3.26Å; L294-I318 CarbonylContact C-O 3.48Å; L294-I318 WeakPolarHBondContact CA-O 3.34Å; L294-I318 HydrophobicContact CD1-CB 4.03Å; L294-I318 HydrophobicContact CD1-CG2 3.78Å; L294-F320 HydrophobicContact CD1-CE2 4.14Å
295A96.6Very high93Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-94.6127.1-16800000112.6W299 A300 T317 I318 G319 F320A295-W299 HydrophobicContact CB-CD2 3.92Å; A295-W299 HydrophobicContact CB-CE3 4.33Å; A295-W299 HydrophobicContact CB-CH2 3.8Å; A295-W299 HydrophobicContact CB-CZ2 3.3Å; A295-W299 HydrophobicContact CB-CZ3 4.28Å; A295-A300 HydrophobicContact CB-CB 3.78Å; A295-T317 HydrophobicContact CB-CG2 3.68Å; A295-I318 PolarHBondContact N-O 3.34Å; A295-G319 WeakPolarHBondContact O-CA 3.3Å; A295-F320 PolarHBondContact O-N 3.26Å
296S95.8Very high92.7Very high0 Ų023.2 Ų23.20%014%0.135CC..  trans-67.9157.7165.954.50000112.3Y218 V269 A298 W299 A300Y218-S296 WeakPolarHBondContact OH-CB 3.38Å; Y218-S296 PolarHBondContact OH-OG 3.4Å; V269-S296 WeakPolarHBondContact O-CB 3.3Å; V269-S296 PolarHBondContact O-N 3.4Å; V269-S296 PolarHBondContact O-OG 3.49Å; S296-A298 PolarHBondContact O-N 2.76Å; S296-W299 PolarHBondContact O-N 3.07Å; S296-W299 VanDerWaalsContact O-N 3.12Å; S296-A300 VanDerWaalsContact O-CB 3.22Å; S296-A300 WeakPolarHBondContact O-CB 3.4Å; S296-A300 PolarHBondContact O-N 3.26Å
297E92.7Very high92.5Very high9 Ų923.5 Ų23.54%0.04214%0.138CC..THydrogen-bonded Turntrans-64.1-25-172.491.4-63-177.100113.8S170 Q193 Y218 W299 F320 L322S170-E297 WeakPolarHBondContact CB-OE1 3.42Å; S170-E297 PolarHBondContact OG-OE1 2.9Å; Q193-E297 PolarHBondContact NE2-OE2 3.05Å; Y218-E297 PolarHBondContact OH-OE2 2.97Å; E297-W299 PolarHBondContact O-N 3.26Å; E297-F320 VanDerWaalsContact CA-O 3.22Å; E297-F320 WeakPolarHBondContact CA-O 3.31Å; E297-F320 HydrophobicContact CB-CB 4.42Å; E297-F320 WeakPolarHBondContact CB-O 3.33Å; E297-L322 HydrophobicContact CB-CG 4.19Å; E297-L322 HydrophobicContact CG-CD1 3.87Å; E297-L322 HydrophobicContact CG-CD2 3.98Å; E297-L322 HydrophobicContact CG-CG 3.66Å
298A93Very high92.3Very high42 Ų4221.5 Ų21.535%0.34713%0.131SC..THydrogen-bonded Turntrans-57.8-29.117400000113.7Y218 S296Y218-A298 HydrophobicContact CE1-CB 3.75Å; Y218-A298 VanDerWaalsContact OH-CB 3.31Å; Y218-A298 WeakPolarHBondContact OH-CB 3.36Å; S296-A298 PolarHBondContact O-N 2.76Å
299W93.3Very high92.2Very high0 Ų026.6 Ų26.60%016%0.155CC..THydrogen-bonded Turntrans-128-15.1178.779.7-86.9000115.6V269 I276 W293 A295 S296 E297 S301 S302 I305 T317 W479V269-W299 HydrophobicContact CB-CZ2 3.64Å; V269-W299 HydrophobicContact CG1-CZ2 4.04Å; V269-W299 VanDerWaalsContact CG1-NE1 3.3Å; V269-W299 HydrophobicContact CG2-CZ2 3.86Å; V269-W299 PolarHBondContact O-NE1 3.26Å; V269-W299 VanDerWaalsContact O-NE1 3.1Å; I276-W299 HydrophobicContact CG2-CB 4.23Å; I276-W299 HydrophobicContact CG2-CD2 4.3Å; I276-W299 HydrophobicContact CG2-CE3 4.43Å; I276-W299 HydrophobicContact CG2-CG 4.26Å; W293-W299 HydrophobicContact CB-CH2 4.07Å; W293-W299 HydrophobicContact CB-CZ2 4.45Å; W293-W299 HydrophobicContact CD2-CH2 4.43Å; W293-W299 HydrophobicContact CE3-CH2 4.27Å; W293-W299 HydrophobicContact CE3-CZ2 4.46Å; W293-W299 HydrophobicContact CG-CH2 4.38Å; A295-W299 HydrophobicContact CB-CD2 3.92Å; A295-W299 HydrophobicContact CB-CE3 4.33Å; A295-W299 HydrophobicContact CB-CH2 3.8Å; A295-W299 HydrophobicContact CB-CZ2 3.3Å; A295-W299 HydrophobicContact CB-CZ3 4.28Å; S296-W299 PolarHBondContact O-N 3.07Å; S296-W299 VanDerWaalsContact O-N 3.12Å; E297-W299 PolarHBondContact O-N 3.26Å; W299-S301 PolarHBondContact O-N 3.39Å; W299-S302 VanDerWaalsContact O-CB 3.29Å; W299-S302 WeakPolarHBondContact O-CB 3.28Å; W299-S302 PolarHBondContact O-N 3.34Å; W299-I305 HydrophobicContact CE3-CG1 4.47Å; W299-I305 HydrophobicContact CE3-CG2 4.18Å; W299-I305 HydrophobicContact CZ3-CG2 4.02Å; W299-T317 HydrophobicContact CH2-CG2 4.24Å; W299-W479 HydrophobicContact CZ3-CH2 4.43Å; W299-W479 HydrophobicContact CZ3-CZ2 4.41Å
300A93.1Very high92.2Very high1 Ų124.7 Ų24.71%0.00814%0.142CC..THydrogen-bonded Turntrans-57.4-12.418000000115.8A295 S296 F320 I477 W479 F490A295-A300 HydrophobicContact CB-CB 3.78Å; S296-A300 VanDerWaalsContact O-CB 3.22Å; S296-A300 WeakPolarHBondContact O-CB 3.4Å; S296-A300 PolarHBondContact O-N 3.26Å; A300-F320 VanDerWaalsContact CB-O 3.31Å; A300-F320 WeakPolarHBondContact CB-O 3.49Å; A300-I477 HydrophobicContact CB-CD1 4.45Å; A300-I477 WeakPolarHBondContact O-CD1 3.45Å; A300-W479 WeakPolarHBondContact O-CZ2 3.33Å; A300-W479 PolarHBondContact O-NE1 3.01Å; A300-F490 WeakPolarHBondContact O-CE1 3.33Å
301S88.3Confident92.3Very high17 Ų1720.8 Ų20.812%0.11912%0.121CC..THydrogen-bonded Turntrans-128.919.2170.870.40000113.8R66 W299 S303R66-S301 PolarHBondContact NH1-O 3.38Å; R66-S301 PolarHBondContact NH1-OG 3.48Å; R66-S301 PolarHBondContact NH2-O 3.1Å; R66-S301 PolarHBondContact NH2-OG 3.06Å; W299-S301 PolarHBondContact O-N 3.39Å; S301-S303 PolarHBondContact O-N 2.97Å
302S89.1Confident92.1Very high11 Ų1123.8 Ų23.88%0.07714%0.138CC..  trans-71.5122-173.5179.40000112.1W299 L304 I305 A306W299-S302 VanDerWaalsContact O-CB 3.29Å; W299-S302 WeakPolarHBondContact O-CB 3.28Å; W299-S302 PolarHBondContact O-N 3.34Å; S302-L304 PolarHBondContact O-N 3.48Å; S302-L304 PolarHBondContact OG-N 2.91Å; S302-I305 PolarHBondContact O-N 3.38Å; S302-A306 VanDerWaalsContact O-CB 3.27Å; S302-A306 WeakPolarHBondContact O-CB 3.46Å; S302-A306 PolarHBondContact O-N 3.07Å
303S87.6Confident92.1Very high39 Ų3923.6 Ų23.627%0.27314%0.137SC..THydrogen-bonded Turntrans-69.3-6.4174.356.90000114.4R66 S301R66-S303 VanDerWaalsContact CD-OG 3.26Å; R66-S303 WeakPolarHBondContact CD-OG 3.43Å; S301-S303 PolarHBondContact O-N 2.97Å
304L88.8Confident92Very high21 Ų2123.6 Ų23.611%0.1114%0.137CC..THydrogen-bonded Turntrans-72.9-31.9167.3-66.7171.9000111.5F42 P274 S302 F310F42-L304 HydrophobicContact CD1-CD1 4.1Å; F42-L304 HydrophobicContact CD2-CD1 4.4Å; F42-L304 HydrophobicContact CD2-CD2 4.32Å; F42-L304 HydrophobicContact CE1-CD1 3.77Å; F42-L304 HydrophobicContact CE1-CG 4.41Å; F42-L304 HydrophobicContact CE2-CD1 4.1Å; F42-L304 HydrophobicContact CE2-CD2 3.77Å; F42-L304 HydrophobicContact CE2-CG 4.17Å; F42-L304 HydrophobicContact CG-CD1 4.39Å; F42-L304 HydrophobicContact CZ-CD1 3.75Å; F42-L304 HydrophobicContact CZ-CD2 4.04Å; F42-L304 HydrophobicContact CZ-CG 3.92Å; P274-L304 HydrophobicContact CG-CD1 4.15Å; S302-L304 PolarHBondContact O-N 3.48Å; S302-L304 PolarHBondContact OG-N 2.91Å; L304-F310 WeakPolarHBondContact O-CE2 3.28Å
305I92.6Very high91.7Very high0 Ų023.7 Ų23.70%014%0.138CC..THydrogen-bonded Turntrans-109.8-33.6-170.7-46.7-58.5000111.9I276 E277 I280 W299 S302 K307 F310 V314 W479I276-I305 HydrophobicContact CG2-CD1 4Å; I276-I305 HydrophobicContact CG2-CG1 4.09Å; E277-I305 HydrophobicContact CB-CD1 3.75Å; E277-I305 HydrophobicContact CG-CD1 4.05Å; I280-I305 HydrophobicContact CG1-CD1 4.37Å; I280-I305 HydrophobicContact CG1-CG2 4.13Å; I280-I305 HydrophobicContact CG2-CG2 4.32Å; W299-I305 HydrophobicContact CE3-CG1 4.47Å; W299-I305 HydrophobicContact CE3-CG2 4.18Å; W299-I305 HydrophobicContact CZ3-CG2 4.02Å; S302-I305 PolarHBondContact O-N 3.38Å; I305-K307 PolarHBondContact O-N 3.11Å; I305-F310 WeakPolarHBondContact O-CD2 3.48Å; I305-V314 HydrophobicContact CG2-CG1 4.39Å; I305-V314 HydrophobicContact CG2-CG2 4.47Å; I305-W479 HydrophobicContact CB-CH2 4.07Å; I305-W479 HydrophobicContact CG2-CH2 3.88Å; I305-W479 HydrophobicContact CG2-CZ3 4.24Å
306A90.2Very high91.5Very high22 Ų2223.8 Ų23.818%0.18214%0.14CC..  trans-76.768.517900000111.6S302 W479 V488 F490S302-A306 VanDerWaalsContact O-CB 3.27Å; S302-A306 WeakPolarHBondContact O-CB 3.46Å; S302-A306 PolarHBondContact O-N 3.07Å; A306-W479 HydrophobicContact CB-CH2 3.78Å; A306-W479 HydrophobicContact CB-CZ2 4.42Å; A306-W479 HydrophobicContact CB-CZ3 3.98Å; A306-V488 VanDerWaalsContact C-CG2 3.49Å; A306-V488 HydrophobicContact CB-CB 4.37Å; A306-V488 HydrophobicContact CB-CG1 4.11Å; A306-V488 HydrophobicContact CB-CG2 4.38Å; A306-F490 HydrophobicContact CB-CE1 4.12Å; A306-F490 HydrophobicContact CB-CE2 4.49Å; A306-F490 HydrophobicContact CB-CZ 3.52Å
307K89.8Confident91.5Very high64 Ų6423.8 Ų23.828%0.27814%0.14SC..  trans-119.5147.8177.4-59.1-171-175.7-172.10111.8I305 E309 F310 L311I305-K307 PolarHBondContact O-N 3.11Å; K307-E309 HydrophobicContact CB-CG 3.87Å; K307-E309 VanDerWaalsContact CD-CD 3.44Å; K307-E309 HydrophobicContact CD-CG 3.89Å; K307-E309 WeakPolarHBondContact CD-OE1 3.45Å; K307-E309 WeakPolarHBondContact CE-OE1 3.41Å; K307-E309 IonicContact NZ-OE1 3.5Å; K307-E309 PolarHBondContact NZ-OE1 3.16Å; K307-E309 PolarHBondContact O-N 3.41Å; K307-F310 HydrophobicContact CB-CD2 4.3Å; K307-F310 HydrophobicContact CB-CG 4.46Å; K307-F310 HydrophobicContact CD-CD2 4.29Å; K307-F310 HydrophobicContact CD-CE2 3.96Å; K307-F310 HydrophobicContact CD-CZ 4.2Å; K307-F310 HydrophobicContact CG-CD2 4.39Å; K307-F310 HydrophobicContact CG-CE2 4.45Å; K307-F310 PolarHBondContact O-N 3.12Å; K307-F310 VanDerWaalsContact O-N 3.13Å; K307-L311 PolarHBondContact O-N 2.97Å
308P89.8Confident91.7Very high70 Ų7023.5 Ų23.546%0.45514%0.138SC..THydrogen-bonded Turntrans-56.1-33.9174.5-24.333.8000113.7F310 L311 R481P308-F310 VanDerWaalsContact C-N 3.3Å; P308-F310 PolarHBondContact O-N 3.5Å; P308-L311 PolarHBondContact O-N 3.11Å; P308-R481 PolarHBondContact O-NH2 3.31Å; P308-R481 VanDerWaalsContact O-NH2 3.11Å
309E90.2Very high91.8Very high116 Ų11621.5 Ų21.554%0.54212%0.122SC..THydrogen-bonded Turntrans-71.2-16.5-178.876-160.3-156.900114.3K307K307-E309 HydrophobicContact CB-CG 3.87Å; K307-E309 VanDerWaalsContact CD-CD 3.44Å; K307-E309 HydrophobicContact CD-CG 3.89Å; K307-E309 WeakPolarHBondContact CD-OE1 3.45Å; K307-E309 WeakPolarHBondContact CE-OE1 3.41Å; K307-E309 IonicContact NZ-OE1 3.5Å; K307-E309 PolarHBondContact NZ-OE1 3.16Å; K307-E309 PolarHBondContact O-N 3.41Å
310F93.4Very high91.8Very high10 Ų1021.5 Ų21.54%0.04412%0.122CC..THydrogen-bonded Turntrans-105.3-10.8177.6-61.1-17.3000112.9I280 K281 V284 L304 I305 K307 P308 D312 V313 V314I280-F310 HydrophobicContact CG2-CB 4.27Å; I280-F310 HydrophobicContact CG2-CD2 3.97Å; I280-F310 HydrophobicContact CG2-CG 4.11Å; K281-F310 HydrophobicContact CG-CE1 4.42Å; K281-F310 HydrophobicContact CG-CZ 3.87Å; V284-F310 HydrophobicContact CB-CD1 4.29Å; V284-F310 HydrophobicContact CG1-CD1 4.11Å; V284-F310 HydrophobicContact CG2-CB 4.18Å; V284-F310 HydrophobicContact CG2-CD1 3.74Å; V284-F310 HydrophobicContact CG2-CG 4.18Å; L304-F310 WeakPolarHBondContact O-CE2 3.28Å; I305-F310 WeakPolarHBondContact O-CD2 3.48Å; K307-F310 HydrophobicContact CB-CD2 4.3Å; K307-F310 HydrophobicContact CB-CG 4.46Å; K307-F310 HydrophobicContact CD-CD2 4.29Å; K307-F310 HydrophobicContact CD-CE2 3.96Å; K307-F310 HydrophobicContact CD-CZ 4.2Å; K307-F310 HydrophobicContact CG-CD2 4.39Å; K307-F310 HydrophobicContact CG-CE2 4.45Å; K307-F310 PolarHBondContact O-N 3.12Å; K307-F310 VanDerWaalsContact O-N 3.13Å; P308-F310 VanDerWaalsContact C-N 3.3Å; P308-F310 PolarHBondContact O-N 3.5Å; F310-D312 PolarHBondContact O-N 3.11Å; F310-V313 PolarHBondContact O-N 3.1Å; F310-V314 HydrophobicContact CB-CG2 4.12Å; F310-V314 WeakPolarHBondContact O-CG2 3.29Å; F310-V314 PolarHBondContact O-N 3.43Å
311L91.4Very high91.7Very high0 Ų021.6 Ų21.60%012%0.123CC..Hα-helixtrans-59.2-20.8-173.1-87.7178.9000115.2K307 P308 V313 G315 R481 V488K307-L311 PolarHBondContact O-N 2.97Å; P308-L311 PolarHBondContact O-N 3.11Å; L311-V313 VanDerWaalsContact C-N 3.28Å; L311-G315 WeakPolarHBondContact O-CA 3.47Å; L311-G315 PolarHBondContact O-N 3.32Å; L311-R481 HydrophobicContact CD1-CB 3.81Å; L311-R481 HydrophobicContact CD1-CG 3.77Å; L311-V488 HydrophobicContact CD1-CG2 3.92Å; L311-V488 HydrophobicContact CD2-CB 4.48Å; L311-V488 HydrophobicContact CD2-CG1 4.18Å; L311-V488 HydrophobicContact CD2-CG2 3.92Å; L311-V488 HydrophobicContact CG-CG2 3.81Å
312D90.5Very high91.7Very high67 Ų6721.3 Ų21.336%0.35812%0.12SC..Hα-helixtrans-78.8-15176.8-56.8-65.3000112.3T289 F310 R481 N516T289-D312 WeakPolarHBondContact CB-O 3.29Å; T289-D312 HydrophobicContact CG2-CB 4.38Å; T289-D312 WeakPolarHBondContact CG2-O 3.17Å; F310-D312 PolarHBondContact O-N 3.11Å; D312-R481 IonicContact OD1-CZ 2.7Å; D312-R481 IonicContact OD1-NH1 2.81Å; D312-R481 PolarHBondContact OD1-NH1 3.49Å; D312-R481 IonicContact OD1-NH2 2.7Å; D312-R481 PolarHBondContact OD1-NH2 3.03Å; D312-R481 IonicContact OD2-CZ 2.66Å; D312-R481 IonicContact OD2-NH1 3.61Å; D312-R481 IonicContact OD2-NH2 3.13Å; D312-R481 PolarHBondContact OD2-NH2 3.49Å; D312-N516 PolarHBondContact O-OD1 3.08Å
313V93.8Very high91Very high3 Ų326.5 Ų26.52%0.01814%0.138CC..Hα-helixtrans-103.4-38.8172.8172.70000112.5M283 V284 T289 W293 F310 L311 N516M283-V313 HydrophobicContact CB-CG1 3.98Å; V284-V313 HydrophobicContact CB-CG2 4.3Å; V284-V313 HydrophobicContact CG2-CB 3.78Å; V284-V313 HydrophobicContact CG2-CG1 4.35Å; V284-V313 HydrophobicContact CG2-CG2 3.59Å; T289-V313 HydrophobicContact CG2-CG2 4.23Å; W293-V313 HydrophobicContact CZ2-CG1 4.16Å; W293-V313 PolarHBondContact NE1-O 3.43Å; F310-V313 PolarHBondContact O-N 3.1Å; L311-V313 VanDerWaalsContact C-N 3.28Å; V313-N516 PolarHBondContact O-ND2 3.09Å
314V93.7Very high90.6Very high0 Ų026.9 Ų26.90%014%0.144CC..Hα-helixtrans-104.411.2-179.7-60.10000114I280 I305 F310 T317 W479I280-V314 HydrophobicContact CD1-CG1 3.77Å; I280-V314 HydrophobicContact CG1-CG1 4.35Å; I280-V314 HydrophobicContact CG2-CG1 3.97Å; I305-V314 HydrophobicContact CG2-CG1 4.39Å; I305-V314 HydrophobicContact CG2-CG2 4.47Å; F310-V314 HydrophobicContact CB-CG2 4.12Å; F310-V314 WeakPolarHBondContact O-CG2 3.29Å; F310-V314 PolarHBondContact O-N 3.43Å; V314-T317 WeakPolarHBondContact O-CB 3.27Å; V314-T317 PolarHBondContact O-N 3.39Å; V314-T317 PolarHBondContact O-OG1 3.47Å; V314-W479 HydrophobicContact CB-CE3 4.3Å; V314-W479 HydrophobicContact CB-CZ3 4.23Å; V314-W479 HydrophobicContact CG2-CE3 3.76Å; V314-W479 HydrophobicContact CG2-CZ3 3.51Å
315G92.3Very high90.1Very high5 Ų526.4 Ų26.45%0.05214%0.144CC..THydrogen-bonded Turntrans-62.6138.6172.500000111.7L311 T317 N516L311-G315 WeakPolarHBondContact O-CA 3.47Å; L311-G315 PolarHBondContact O-N 3.32Å; G315-T317 PolarHBondContact O-N 2.87Å; G315-N516 WeakPolarHBondContact O-CB 3.09Å
316G92.7Very high89.8Confident3 Ų332.1 Ų32.13%0.03117%0.174CC..THydrogen-bonded Turntrans73.18-177.700000115.4I318 N478 W479 L514G316-I318 PolarHBondContact O-N 2.88Å; G316-N478 VanDerWaalsContact C-ND2 3.34Å; G316-N478 PolarHBondContact O-ND2 2.03Å; G316-W479 WeakPolarHBondContact CA-O 3.46Å; G316-W479 PolarHBondContact N-O 3.29Å; G316-L514 WeakPolarHBondContact CA-O 3.4Å
317T95.6Very high89.8Confident0 Ų031.7 Ų31.70%017%0.168CC..  trans-48.8128.6169.5-660000110.8W293 A295 W299 V314 G315 N478 W479W293-T317 HydrophobicContact CB-CG2 3.91Å; W293-T317 WeakPolarHBondContact CB-OG1 3.44Å; A295-T317 HydrophobicContact CB-CG2 3.68Å; W299-T317 HydrophobicContact CH2-CG2 4.24Å; V314-T317 WeakPolarHBondContact O-CB 3.27Å; V314-T317 PolarHBondContact O-N 3.39Å; V314-T317 PolarHBondContact O-OG1 3.47Å; G315-T317 PolarHBondContact O-N 2.87Å; T317-N478 VanDerWaalsContact O-CA 3.29Å; T317-N478 WeakPolarHBondContact O-CA 3.45Å; T317-N478 PolarHBondContact O-ND2 3.09Å; T317-W479 HydrophobicContact CG2-CD2 4.4Å; T317-W479 HydrophobicContact CG2-CG 4.26Å; T317-W479 PolarHBondContact O-N 3Å
318I96.6Very high89.8Confident2 Ų232.4 Ų32.41%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-91.3119.6167.4-65.2-178.1000107.3I200 F204 W293 L294 A295 G316 I476 I477 I513 W515I200-I318 HydrophobicContact CD1-CG2 4.45Å; F204-I318 HydrophobicContact CE2-CD1 4.03Å; W293-I318 PolarHBondContact O-N 3.18Å; L294-I318 CarbonylContact C-O 3.48Å; L294-I318 WeakPolarHBondContact CA-O 3.34Å; L294-I318 HydrophobicContact CD1-CB 4.03Å; L294-I318 HydrophobicContact CD1-CG2 3.78Å; A295-I318 PolarHBondContact N-O 3.34Å; G316-I318 PolarHBondContact O-N 2.88Å; I318-I476 HydrophobicContact CG2-CG2 3.67Å; I318-I477 CarbonylContact C-O 3.5Å; I318-I477 WeakPolarHBondContact CA-O 3.43Å; I318-I513 HydrophobicContact CD1-CD1 4.24Å; I318-W515 HydrophobicContact CD1-CH2 3.62Å; I318-W515 HydrophobicContact CD1-CZ3 3.55Å; I318-W515 HydrophobicContact CG1-CZ3 4.26Å
319G95Very high89.9Confident0 Ų030.9 Ų30.90%018%0.176CC..EExtended strand (participates in β ladder)trans-119143.6-176.700000113.4A295 I477A295-G319 WeakPolarHBondContact O-CA 3.3Å; G319-I477 PolarHBondContact N-O 3.32Å; G319-I477 WeakPolarHBondContact O-CG1 3.4Å; G319-I477 PolarHBondContact O-N 2.91Å
320F93.7Very high90.1Very high0 Ų025.4 Ų25.40%015%0.151CC..EExtended strand (participates in β ladder)trans-80.3128.8164.9-76-91.7000109.7Q193 A196 M197 I200 L294 A295 E297 A300 Y474Q193-F320 HydrophobicContact CG-CB 4.22Å; Q193-F320 HydrophobicContact CG-CD1 3.88Å; Q193-F320 HydrophobicContact CG-CD2 4.05Å; Q193-F320 HydrophobicContact CG-CE1 4.28Å; Q193-F320 HydrophobicContact CG-CE2 4.45Å; Q193-F320 HydrophobicContact CG-CG 3.75Å; A196-F320 HydrophobicContact CB-CE1 3.52Å; A196-F320 HydrophobicContact CB-CZ 3.66Å; M197-F320 HydrophobicContact CB-CE2 4.48Å; M197-F320 HydrophobicContact CE-CD2 3.93Å; M197-F320 HydrophobicContact CE-CE2 4.16Å; M197-F320 HydrophobicContact CG-CD2 4.16Å; M197-F320 HydrophobicContact CG-CE2 3.45Å; M197-F320 VanDerWaalsContact CG-CE2 3.45Å; M197-F320 HydrophobicContact CG-CZ 4.05Å; I200-F320 HydrophobicContact CD1-CE1 4.45Å; I200-F320 HydrophobicContact CD1-CE2 3.93Å; I200-F320 HydrophobicContact CD1-CZ 3.54Å; L294-F320 HydrophobicContact CD1-CE2 4.14Å; A295-F320 PolarHBondContact O-N 3.26Å; E297-F320 VanDerWaalsContact CA-O 3.22Å; E297-F320 WeakPolarHBondContact CA-O 3.31Å; E297-F320 HydrophobicContact CB-CB 4.42Å; E297-F320 WeakPolarHBondContact CB-O 3.33Å; A300-F320 VanDerWaalsContact CB-O 3.31Å; A300-F320 WeakPolarHBondContact CB-O 3.49Å; F320-Y474 HydrophobicContact CB-CD1 4.26Å; F320-Y474 HydrophobicContact CD1-CD1 4.19Å; F320-Y474 HydrophobicContact CD1-CD2 4.48Å; F320-Y474 AromaticContact CD1-CG 3.99Å; F320-Y474 HydrophobicContact CD1-CG 3.99Å
321A90.6Very high90Very high4 Ų429.8 Ų29.83%0.03317%0.167CC..EExtended strand (participates in β ladder)trans-121125.8177.500000110.4T475 I477A321-T475 PolarHBondContact N-O 2.03Å; A321-T475 PolarHBondContact O-N 3.08Å; A321-I477 HydrophobicContact CB-CD1 4.01Å; A321-I477 HydrophobicContact CB-CG1 4.06Å; A321-I477 HydrophobicContact CB-CG2 4.09Å
322L88.6Confident90.1Very high10 Ų1034.3 Ų34.35%0.05219%0.188CC..PPolyproline II helixtrans-54.8147166.5-65.1169.4000109.8I187 P188 E297 A324 R400 I401 Y474I187-L322 HydrophobicContact CB-CD2 3.98Å; I187-L322 HydrophobicContact CG2-CD1 3.99Å; I187-L322 HydrophobicContact CG2-CD2 4.07Å; P188-L322 HydrophobicContact CG-CD2 4.15Å; E297-L322 HydrophobicContact CB-CG 4.19Å; E297-L322 HydrophobicContact CG-CD1 3.87Å; E297-L322 HydrophobicContact CG-CD2 3.98Å; E297-L322 HydrophobicContact CG-CG 3.66Å; L322-A324 PolarHBondContact O-N 3.46Å; L322-R400 HydrophobicContact CB-CB 4.45Å; L322-R400 WeakPolarHBondContact O-CD 3.47Å; L322-R400 WeakPolarHBondContact O-CG 3.44Å; L322-R400 PolarHBondContact O-NH1 2.87Å; L322-I401 HydrophobicContact CD1-CG1 4.29Å; L322-Y474 HydrophobicContact CD2-CE1 4.07Å
323R74.9Confident90.2Very high120 Ų12032.3 Ų32.345%0.45318%0.176SC..PPolyproline II helixtrans-52.8128.6179.8-177.3171.8170.5102.9-1.6110.7E460R323-E460 IonicContact CZ-OE1 3.99Å; R323-E460 IonicContact NE-OE1 2.72Å; R323-E460 PolarHBondContact NE-OE1 2.7Å; R323-E460 IonicContact NH2-OE1 2.75Å; R323-E460 PolarHBondContact NH2-OE1 3.12Å
324A77.9Confident90.2Very high48 Ų4832.3 Ų32.340%0.39718%0.176SC..PPolyproline II helixtrans-79.6141.2172.200000109.9L322 R400L322-A324 PolarHBondContact O-N 3.46Å; A324-R400 HydrophobicContact CB-CG 3.87Å
325G79.7Confident90.1Very high11 Ų1135.7 Ų35.711%0.11319%0.192CC..  trans-133.1158.6171.200000110.6
326L84.9Confident90Very high120 Ų12040.4 Ų40.463%0.62821%0.212SC*.  trans-89.9140.2177.2-63.7175.9000109.7M458L326-M458 HydrophobicContact CB-CE 4.12Å; L326-M458 HydrophobicContact CB-SD 4.18Å; L326-M458 HydrophobicContact CD1-CE 4.11Å; L326-M458 HydrophobicContact CG-CE 4.24Å
327I90.9Very high89.9Confident13 Ų1340.4 Ų40.47%0.06721%0.212CC..  trans-119.997.8169.8-44.7173.6000106.5F76 F330 L399 Y403 Y406F76-I327 HydrophobicContact CD1-CG2 3.84Å; F76-I327 HydrophobicContact CE1-CG2 3.62Å; I327-F330 HydrophobicContact CB-CB 3.72Å; I327-F330 HydrophobicContact CB-CD1 4.36Å; I327-F330 HydrophobicContact CB-CG 4.21Å; I327-F330 HydrophobicContact CD1-CD1 3.93Å; I327-F330 HydrophobicContact CD1-CE1 4.25Å; I327-F330 HydrophobicContact CD1-CG 4.32Å; I327-F330 HydrophobicContact CG2-CB 3.6Å; I327-F330 HydrophobicContact CG2-CG 4.09Å; I327-F330 WeakPolarHBondContact O-CB 3.29Å; I327-F330 PolarHBondContact O-N 3.03Å; I327-L399 HydrophobicContact CD1-CD1 4.47Å; I327-Y403 HydrophobicContact CG1-CD2 3.98Å; I327-Y406 HydrophobicContact CD1-CG 4.45Å; I327-Y406 HydrophobicContact CG1-CG 4.5Å; I327-Y406 HydrophobicContact CG2-CD2 3.69Å; I327-Y406 HydrophobicContact CG2-CE2 3.68Å; I327-Y406 HydrophobicContact CG2-CG 4.25Å
328P90.2Very high89.5Confident79 Ų7944.3 Ų44.351%0.51323%0.23SC..THydrogen-bonded Turntrans-58.3144.6178.3-2334.5000111.4F76 F330F76-P328 WeakPolarHBondContact CE1-O 3.49Å; F76-P328 WeakPolarHBondContact CZ-O 3.08Å; P328-F330 PolarHBondContact O-N 2.97Å
329G92.1Very high89Confident38 Ų3845 Ų4539%0.39224%0.235SC..THydrogen-bonded Turntrans70.8-12.3178.700000116.1R331 E332 F333G329-R331 PolarHBondContact O-N 3.01Å; G329-E332 VanDerWaalsContact C-OE2 3.24Å; G329-E332 WeakPolarHBondContact CA-OE2 3.37Å; G329-E332 PolarHBondContact O-N 2.92Å; G329-F333 PolarHBondContact O-N 2.86Å
330F93.3Very high88.4Confident0 Ų050.7 Ų50.70%026%0.26CS..Hα-helixtrans-69.3-31.5-174.5-174.2-123.8000113.4R69 Q72 A73 F76 I327 P328 F333 L334 L399R69-F330 HydrophobicContact CG-CE1 4.47Å; Q72-F330 HydrophobicContact CB-CE2 4.46Å; A73-F330 HydrophobicContact CB-CE1 4.41Å; A73-F330 HydrophobicContact CB-CE2 4.07Å; A73-F330 HydrophobicContact CB-CZ 3.72Å; F76-F330 HydrophobicContact CB-CD2 3.76Å; F76-F330 HydrophobicContact CB-CE2 3.95Å; F76-F330 HydrophobicContact CD1-CB 4.34Å; F76-F330 AromaticContact CD1-CD2 3.9Å; F76-F330 HydrophobicContact CD1-CD2 3.9Å; F76-F330 HydrophobicContact CD2-CD2 4.22Å; F76-F330 HydrophobicContact CE1-CB 4.3Å; F76-F330 AromaticContact CG-CD2 3.67Å; F76-F330 HydrophobicContact CG-CD2 3.67Å; F76-F330 HydrophobicContact CG-CE2 4.37Å; I327-F330 HydrophobicContact CB-CB 3.72Å; I327-F330 HydrophobicContact CB-CD1 4.36Å; I327-F330 HydrophobicContact CB-CG 4.21Å; I327-F330 HydrophobicContact CD1-CD1 3.93Å; I327-F330 HydrophobicContact CD1-CE1 4.25Å; I327-F330 HydrophobicContact CD1-CG 4.32Å; I327-F330 HydrophobicContact CG2-CB 3.6Å; I327-F330 HydrophobicContact CG2-CG 4.09Å; I327-F330 WeakPolarHBondContact O-CB 3.29Å; I327-F330 PolarHBondContact O-N 3.03Å; P328-F330 PolarHBondContact O-N 2.97Å; F330-F333 HydrophobicContact CD2-CD1 4.15Å; F330-F333 HydrophobicContact CE2-CD1 4.15Å; F330-F333 PolarHBondContact O-N 2.91Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.45Å; F330-L334 HydrophobicContact CD2-CG 4.4Å; F330-L334 HydrophobicContact CE1-CD1 3.66Å; F330-L334 HydrophobicContact CE1-CD2 4.33Å; F330-L334 HydrophobicContact CE1-CG 4.15Å; F330-L334 HydrophobicContact CE2-CD1 4.48Å; F330-L334 HydrophobicContact CE2-CD2 3.92Å; F330-L334 HydrophobicContact CE2-CG 4.06Å; F330-L334 HydrophobicContact CZ-CD1 3.92Å; F330-L334 HydrophobicContact CZ-CD2 3.72Å; F330-L334 HydrophobicContact CZ-CG 3.94Å; F330-L334 VanDerWaalsContact O-CG 3.31Å; F330-L334 WeakPolarHBondContact O-CG 3.03Å; F330-L334 PolarHBondContact O-N 3.09Å; F330-L399 HydrophobicContact CD1-CD1 3.98Å; F330-L399 HydrophobicContact CD1-CD2 4.14Å; F330-L399 HydrophobicContact CE1-CD2 3.93Å
331R92.2Very high87.9Confident102 Ų10255.5 Ų55.539%0.38528%0.281SS..Hα-helixtrans-61.4-49.4173174.6-172.8179.1160.89.3110G329 F333 L334 Q335 Y396G329-R331 PolarHBondContact O-N 3.01Å; R331-F333 PolarHBondContact O-N 3.37Å; R331-L334 PolarHBondContact O-N 2.98Å; R331-Q335 WeakPolarHBondContact O-CG 3.34Å; R331-Q335 PolarHBondContact O-N 2.98Å; R331-Y396 HydrophobicContact CG-CD1 3.91Å; R331-Y396 HydrophobicContact CG-CE1 4.27Å; R331-Y396 HydrophobicContact CG-CG 4.43Å; R331-Y396 VanDerWaalsContact CZ-CE1 3.5Å; R331-Y396 VanDerWaalsContact CZ-CZ 3.47Å; R331-Y396 PolarHBondContact NH1-OH 2.85Å; R331-Y396 PolarHBondContact NH2-OH 2.72Å
332E93.5Very high87.4Confident95 Ų9556.3 Ų56.344%0.44428%0.284SS..Hα-helixtrans-65.8-30.5-177.9-62.667.1-148.700110.9G329 Q336G329-E332 VanDerWaalsContact C-OE2 3.24Å; G329-E332 WeakPolarHBondContact CA-OE2 3.37Å; G329-E332 PolarHBondContact O-N 2.92Å; E332-Q336 VanDerWaalsContact O-CG 3.32Å; E332-Q336 WeakPolarHBondContact O-CG 3.04Å; E332-Q336 PolarHBondContact O-NE2 2.74Å
333F93.2Very high86.8Confident25 Ų2560.4 Ų60.411%0.1131%0.314CS..Hα-helixtrans-69.3-49.8171.9177.8-98.9000113Q72 I75 F76 G329 F330 R331 Q335 Q336Q72-F333 HydrophobicContact CB-CE1 4.23Å; I75-F333 HydrophobicContact CB-CZ 4.41Å; I75-F333 HydrophobicContact CG2-CZ 3.95Å; F76-F333 HydrophobicContact CB-CD1 3.86Å; F76-F333 HydrophobicContact CB-CE1 3.85Å; F76-F333 HydrophobicContact CB-CG 4.29Å; F76-F333 HydrophobicContact CB-CZ 4.26Å; F76-F333 HydrophobicContact CD2-CB 3.6Å; F76-F333 AromaticContact CD2-CD1 3.93Å; F76-F333 HydrophobicContact CD2-CD1 3.93Å; F76-F333 AromaticContact CD2-CD2 3.78Å; F76-F333 HydrophobicContact CD2-CD2 3.78Å; F76-F333 HydrophobicContact CD2-CE2 4.42Å; F76-F333 AromaticContact CD2-CG 3.5Å; F76-F333 HydrophobicContact CD2-CG 3.5Å; F76-F333 HydrophobicContact CE2-CB 3.96Å; F76-F333 HydrophobicContact CE2-CG 4.31Å; F76-F333 HydrophobicContact CG-CD1 4.28Å; F76-F333 HydrophobicContact CG-CG 4.3Å; G329-F333 PolarHBondContact O-N 2.86Å; F330-F333 HydrophobicContact CD2-CD1 4.15Å; F330-F333 HydrophobicContact CE2-CD1 4.15Å; F330-F333 PolarHBondContact O-N 2.91Å; R331-F333 PolarHBondContact O-N 3.37Å; F333-Q335 PolarHBondContact O-N 2.84Å; F333-Q336 PolarHBondContact O-N 3.34Å
334L92.6Very high87Confident4 Ų457.8 Ų57.82%0.02131%0.307CS..Hα-helixtrans-59-29.9178.5-67.7172.7000112.4R69 Q72 F330 R331 Q336 Y393 L394R69-L334 HydrophobicContact CG-CD1 4.09Å; R69-L334 HydrophobicContact CG-CD2 4.33Å; Q72-L334 HydrophobicContact CB-CD2 3.79Å; Q72-L334 HydrophobicContact CG-CD2 4.33Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.45Å; F330-L334 HydrophobicContact CD2-CG 4.4Å; F330-L334 HydrophobicContact CE1-CD1 3.66Å; F330-L334 HydrophobicContact CE1-CD2 4.33Å; F330-L334 HydrophobicContact CE1-CG 4.15Å; F330-L334 HydrophobicContact CE2-CD1 4.48Å; F330-L334 HydrophobicContact CE2-CD2 3.92Å; F330-L334 HydrophobicContact CE2-CG 4.06Å; F330-L334 HydrophobicContact CZ-CD1 3.92Å; F330-L334 HydrophobicContact CZ-CD2 3.72Å; F330-L334 HydrophobicContact CZ-CG 3.94Å; F330-L334 VanDerWaalsContact O-CG 3.31Å; F330-L334 WeakPolarHBondContact O-CG 3.03Å; F330-L334 PolarHBondContact O-N 3.09Å; R331-L334 PolarHBondContact O-N 2.98Å; L334-Q336 VanDerWaalsContact C-N 3.27Å; L334-Q336 PolarHBondContact O-N 3.36Å; L334-Y393 HydrophobicContact CB-CE1 4.08Å; L334-Y393 HydrophobicContact CD2-CE1 4.16Å; L334-Y393 HydrophobicContact CD2-CE2 3.72Å; L334-Y393 VanDerWaalsContact CD2-CZ 3.48Å; L334-Y393 VanDerWaalsContact CD2-OH 3.3Å; L334-Y393 WeakPolarHBondContact CD2-OH 3.07Å; L334-Y393 PolarHBondContact O-OH 3.32Å; L334-L394 HydrophobicContact CB-CD2 4.22Å
335Q92Very high87.4Confident70 Ų7055.6 Ų55.633%0.32729%0.288SS..THydrogen-bonded Turntrans-75.9-7176.7-68.4176.9-51.800114.3R331 F333 T387 L394R331-Q335 WeakPolarHBondContact O-CG 3.34Å; R331-Q335 PolarHBondContact O-N 2.98Å; F333-Q335 PolarHBondContact O-N 2.84Å; Q335-T387 HydrophobicContact CG-CG2 3.99Å; Q335-T387 VanDerWaalsContact NE2-CG2 3.33Å; Q335-L394 HydrophobicContact CG-CD2 4.35Å
336Q90.6Very high87.7Confident104 Ų10459.3 Ų59.349%0.48630%0.303SS..THydrogen-bonded Turntrans-108.14.6-174.4-76.2176.965.900114.9E332 F333 L334 K341E332-Q336 VanDerWaalsContact O-CG 3.32Å; E332-Q336 WeakPolarHBondContact O-CG 3.04Å; E332-Q336 PolarHBondContact O-NE2 2.74Å; F333-Q336 PolarHBondContact O-N 3.34Å; L334-Q336 VanDerWaalsContact C-N 3.27Å; L334-Q336 PolarHBondContact O-N 3.36Å; Q336-K341 PolarHBondContact O-NZ 2.89Å
337V89.8Confident87.9Confident3 Ų353.6 Ų53.62%0.01827%0.273CS..  trans-72.7129.2179.5171.90000110.2D342 V348 F351 W352 I386 Y393V337-D342 VanDerWaalsContact CA-OD2 3.29Å; V337-D342 WeakPolarHBondContact CA-OD2 3.45Å; V337-V348 HydrophobicContact CG1-CB 4.44Å; V337-V348 HydrophobicContact CG1-CG1 3.66Å; V337-V348 HydrophobicContact CG1-CG2 3.95Å; V337-F351 HydrophobicContact CG1-CE1 4.46Å; V337-W352 VanDerWaalsContact O-CZ3 3.23Å; V337-W352 WeakPolarHBondContact O-CZ3 2.88Å; V337-I386 WeakPolarHBondContact O-CD1 3.3Å; V337-Y393 WeakPolarHBondContact CG2-OH 3.29Å
338Q88.1Confident87.9Confident82 Ų8253 Ų5338%0.38327%0.27SS..  trans-145.2135.4-179.3-67.9-177.7-22.400111.7K340 K341 D342Q338-K340 PolarHBondContact O-N 3.28Å; Q338-K340 VanDerWaalsContact O-N 3.07Å; Q338-K341 HydrophobicContact CB-CB 4Å; Q338-K341 PolarHBondContact O-N 3.22Å; Q338-D342 PolarHBondContact N-OD2 3.02Å; Q338-D342 PolarHBondContact O-N 3.2Å
339P86.3Confident87.8Confident18 Ų1853 Ų5312%0.11726%0.26CS..THydrogen-bonded Turntrans-56.3-30.9-176.4-27.234.7000115.4V348 W352 L360P339-V348 HydrophobicContact CB-CG1 4.45Å; P339-V348 HydrophobicContact CG-CG1 4.23Å; P339-W352 HydrophobicContact CG-CB 3.82Å; P339-W352 HydrophobicContact CG-CD2 3.57Å; P339-W352 HydrophobicContact CG-CE3 3.98Å; P339-W352 HydrophobicContact CG-CG 3.52Å; P339-L360 HydrophobicContact CB-CD1 4.16Å; P339-L360 HydrophobicContact CG-CD1 4.25Å
340K81.7Confident87.6Confident119 Ų11953.7 Ų53.752%0.51725%0.252SS..THydrogen-bonded Turntrans-78.5-29.4178.4-66.2167.5-176.8146.70113.3Q338 T381 E383Q338-K340 PolarHBondContact O-N 3.28Å; Q338-K340 VanDerWaalsContact O-N 3.07Å; K340-T381 PolarHBondContact NZ-O 3.1Å; K340-E383 IonicContact NZ-OE1 2.63Å; K340-E383 PolarHBondContact NZ-OE1 3.37Å
341K82.2Confident87.6Confident101 Ų10153.7 Ų53.744%0.43925%0.252SS..THydrogen-bonded Turntrans-87.3-45.6-176.2-179.8-166.3167.1-152.40110.8Q336 Q338 S343Q336-K341 PolarHBondContact O-NZ 2.89Å; Q338-K341 HydrophobicContact CB-CB 4Å; Q338-K341 PolarHBondContact O-N 3.22Å; K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.01Å
342D81.4Confident87.5Confident20 Ų2048.9 Ų48.911%0.10723%0.234CC..  trans-100.338.8-169.5-53.8-57.1000111.9V337 Q338 H344 N345 V348V337-D342 VanDerWaalsContact CA-OD2 3.29Å; V337-D342 WeakPolarHBondContact CA-OD2 3.45Å; Q338-D342 PolarHBondContact N-OD2 3.02Å; Q338-D342 PolarHBondContact O-N 3.2Å; D342-H344 PolarHBondContact O-N 3.46Å; D342-H344 IonicContact OD1-CE1 2.71Å; D342-N345 PolarHBondContact O-N 3.48Å; D342-V348 HydrophobicContact CB-CG2 3.95Å
343S75.8Confident87.4Confident96 Ų9645.6 Ų45.667%0.67122%0.219SC*.THydrogen-bonded Turntrans-62.7-8.3-178.557.90000114.8K341 N345K341-S343 VanDerWaalsContact C-N 3.33Å; K341-S343 PolarHBondContact O-N 3.01Å; S343-N345 VanDerWaalsContact C-N 3.29Å
344H79.4Confident87.2Confident66 Ų6648.1 Ų48.131%0.30623%0.231SC..THydrogen-bonded Turntrans-81.7-5.6171.767.3-91.8000113.4A26 Q27 Y95 D342A26-H344 WeakPolarHBondContact CA-O 3.36Å; Q27-H344 PolarHBondContact N-O 2.81Å; Y95-H344 PolarHBondContact OH-CD2 2.69Å; Y95-H344 PolarHBondContact OH-NE2 2.81Å; Y95-H344 VanDerWaalsContact OH-NE2 3.16Å; D342-H344 PolarHBondContact O-N 3.46Å; D342-H344 IonicContact OD1-CE1 2.71Å
345N85.8Confident87.2Confident2 Ų248.4 Ų48.41%0.01123%0.233CC..BIsolated β-bridgetrans-125.892.3-178-177.3-11.8000109.6A26 D342 S343 F347 V348A26-N345 HydrophobicContact CB-CB 3.92Å; D342-N345 PolarHBondContact O-N 3.48Å; S343-N345 VanDerWaalsContact C-N 3.29Å; N345-F347 PolarHBondContact O-N 2.81Å; N345-V348 HydrophobicContact CB-CG2 3.75Å; N345-V348 WeakPolarHBondContact O-CB 3.2Å; N345-V348 WeakPolarHBondContact O-CG2 3.24Å; N345-V348 PolarHBondContact O-N 2.8Å
346E85.6Confident87.1Confident88 Ų8847 Ų4741%0.41123%0.226SC..THydrogen-bonded Turntrans-65.2-16.8-169.3-63.7168.7158.300113.3Q24 R25Q24-E346 VanDerWaalsContact CA-OE2 3.23Å; Q24-E346 WeakPolarHBondContact CA-OE2 3.46Å; Q24-E346 HydrophobicContact CG-CB 4.14Å; R25-E346 PolarHBondContact N-OE2 2.92Å; R25-E346 WeakPolarHBondContact O-CB 3.09Å; R25-E346 WeakPolarHBondContact O-CG 3.33Å; R25-E346 PolarHBondContact O-N 2.85Å
347F89.8Confident87.1Confident0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-76.7-17.5174.5-54.1-74.4000114.1Q24 A26 M40 F68 L71 D99 N345 R349 E350 F351Q24-F347 HydrophobicContact CB-CE1 4.33Å; Q24-F347 VanDerWaalsContact CD-CE1 3.41Å; Q24-F347 HydrophobicContact CG-CD1 3.97Å; Q24-F347 HydrophobicContact CG-CE1 3.59Å; Q24-F347 HydrophobicContact CG-CZ 4.04Å; Q24-F347 VanDerWaalsContact NE2-CD1 3.33Å; A26-F347 HydrophobicContact CB-CD2 4.48Å; M40-F347 HydrophobicContact CB-CD1 4.45Å; M40-F347 HydrophobicContact CE-CB 3.4Å; M40-F347 HydrophobicContact CE-CD1 3.94Å; M40-F347 HydrophobicContact CE-CD2 4.19Å; M40-F347 HydrophobicContact CE-CG 3.59Å; M40-F347 HydrophobicContact CG-CD1 4.23Å; M40-F347 HydrophobicContact CG-CE1 4.26Å; M40-F347 HydrophobicContact CG-CG 4.42Å; M40-F347 HydrophobicContact CG-CZ 4.46Å; F68-F347 HydrophobicContact CE2-CB 4.35Å; L71-F347 HydrophobicContact CD1-CD2 4.21Å; L71-F347 HydrophobicContact CD1-CE2 4.49Å; D99-F347 HydrophobicContact CB-CE1 3.93Å; D99-F347 HydrophobicContact CB-CZ 3.93Å; N345-F347 PolarHBondContact O-N 2.81Å; F347-R349 PolarHBondContact O-N 2.97Å; F347-E350 PolarHBondContact O-N 2.92Å; F347-F351 WeakPolarHBondContact O-CB 3.42Å; F347-F351 PolarHBondContact O-N 3.49Å
348V90.9Very high87.1Confident1 Ų146.1 Ų46.11%0.00623%0.225CC..Hα-helixtrans-60.1-33.3178.31740000111.2F68 V337 P339 D342 N345 W352F68-V348 HydrophobicContact CZ-CG2 3.93Å; V337-V348 HydrophobicContact CG1-CB 4.44Å; V337-V348 HydrophobicContact CG1-CG1 3.66Å; V337-V348 HydrophobicContact CG1-CG2 3.95Å; P339-V348 HydrophobicContact CB-CG1 4.45Å; P339-V348 HydrophobicContact CG-CG1 4.23Å; D342-V348 HydrophobicContact CB-CG2 3.95Å; N345-V348 HydrophobicContact CB-CG2 3.75Å; N345-V348 WeakPolarHBondContact O-CB 3.2Å; N345-V348 WeakPolarHBondContact O-CG2 3.24Å; N345-V348 PolarHBondContact O-N 2.8Å; V348-W352 WeakPolarHBondContact O-CB 3.29Å; V348-W352 PolarHBondContact O-N 2.04Å
349R87.6Confident86.9Confident80 Ų8046.9 Ų46.930%0.30223%0.225SC..Hα-helixtrans-65-54179.7-66.3-179.152.8165.2-4.2111.8F347 F351 W352 E353 L360 D362 S363F347-R349 PolarHBondContact O-N 2.97Å; R349-F351 VanDerWaalsContact C-N 3.34Å; R349-F351 PolarHBondContact O-N 2.96Å; R349-W352 WeakPolarHBondContact O-CB 3.43Å; R349-W352 PolarHBondContact O-N 2.82Å; R349-E353 WeakPolarHBondContact O-CG 3.36Å; R349-E353 PolarHBondContact O-N 2.82Å; R349-L360 HydrophobicContact CB-CD1 4Å; R349-L360 HydrophobicContact CG-CD1 4.15Å; R349-D362 PolarHBondContact NH1-O 2.94Å; R349-D362 PolarHBondContact NH2-O 2.83Å; R349-S363 VanDerWaalsContact NH2-N 3.16Å; R349-S363 PolarHBondContact NH2-OG 2.77Å
350E89.1Confident86.8Confident51 Ų5147 Ų4724%0.23823%0.225CC..Hα-helixtrans-62.6-40.9178.5-176168.7-146.300111.5Q24 H41 F63 F347 W352 E353 E354Q24-E350 PolarHBondContact NE2-OE2 2.9Å; H41-E350 IonicContact CE1-OE1 2.72Å; H41-E350 IonicContact CE1-OE2 3.17Å; H41-E350 PolarHBondContact CE1-OE2 3.39Å; H41-E350 IonicContact NE2-OE1 2.72Å; H41-E350 PolarHBondContact NE2-OE1 2.94Å; H41-E350 IonicContact NE2-OE2 3.64Å; F63-E350 HydrophobicContact CD2-CG 3.85Å; F63-E350 HydrophobicContact CE2-CG 4.21Å; F347-E350 PolarHBondContact O-N 2.92Å; E350-W352 VanDerWaalsContact C-N 3.29Å; E350-W352 PolarHBondContact O-N 3.04Å; E350-E353 PolarHBondContact O-N 2.91Å; E350-E354 WeakPolarHBondContact O-CB 3.45Å; E350-E354 WeakPolarHBondContact O-CG 3.5Å; E350-E354 PolarHBondContact O-N 3.49Å
351F91.8Very high86.3Confident0 Ų048.9 Ų48.90%024%0.235CC..Hα-helixtrans-54.8-42.5169.7164.1-106.8000112.7F63 F65 F68 V337 F347 R349 T355 I386 Y393F63-F351 HydrophobicContact CE1-CB 4.14Å; F63-F351 HydrophobicContact CE1-CD2 4.07Å; F63-F351 HydrophobicContact CE2-CB 4.48Å; F63-F351 HydrophobicContact CZ-CB 3.73Å; F63-F351 HydrophobicContact CZ-CD2 4.4Å; F65-F351 AromaticContact CD1-CD2 3.99Å; F65-F351 HydrophobicContact CD1-CD2 3.99Å; F65-F351 HydrophobicContact CD1-CE2 4.01Å; F65-F351 HydrophobicContact CE1-CD2 4.09Å; F65-F351 HydrophobicContact CE1-CE2 4.25Å; F68-F351 HydrophobicContact CD1-CB 3.97Å; F68-F351 HydrophobicContact CD1-CD1 4.22Å; F68-F351 AromaticContact CD1-CD2 3.51Å; F68-F351 HydrophobicContact CD1-CD2 3.51Å; F68-F351 HydrophobicContact CD1-CE2 4.03Å; F68-F351 AromaticContact CD1-CG 3.61Å; F68-F351 HydrophobicContact CD1-CG 3.61Å; F68-F351 HydrophobicContact CE1-CB 3.69Å; F68-F351 AromaticContact CE1-CD1 3.51Å; F68-F351 HydrophobicContact CE1-CD1 3.51Å; F68-F351 AromaticContact CE1-CD2 3.69Å; F68-F351 HydrophobicContact CE1-CD2 3.69Å; F68-F351 HydrophobicContact CE1-CE1 4.02Å; F68-F351 HydrophobicContact CE1-CE2 4.19Å; F68-F351 AromaticContact CE1-CG 3.31Å; F68-F351 HydrophobicContact CE1-CG 3.31Å; F68-F351 HydrophobicContact CE1-CZ 4.34Å; F68-F351 HydrophobicContact CZ-CB 4.24Å; F68-F351 HydrophobicContact CZ-CD1 4.34Å; F68-F351 HydrophobicContact CZ-CG 4.25Å; V337-F351 HydrophobicContact CG1-CE1 4.46Å; F347-F351 WeakPolarHBondContact O-CB 3.42Å; F347-F351 PolarHBondContact O-N 3.49Å; R349-F351 VanDerWaalsContact C-N 3.34Å; R349-F351 PolarHBondContact O-N 2.96Å; F351-T355 VanDerWaalsContact CE2-OG1 3.27Å; F351-T355 WeakPolarHBondContact CE2-OG1 3.31Å; F351-T355 WeakPolarHBondContact O-CB 3.23Å; F351-T355 PolarHBondContact O-N 2.8Å; F351-T355 PolarHBondContact O-OG1 3.38Å; F351-I386 HydrophobicContact CZ-CG2 4.27Å; F351-Y393 HydrophobicContact CE1-CE1 4.29Å; F351-Y393 AromaticContact CE2-CD1 3.66Å; F351-Y393 HydrophobicContact CE2-CD1 3.66Å; F351-Y393 AromaticContact CE2-CD2 3.97Å; F351-Y393 HydrophobicContact CE2-CD2 3.97Å; F351-Y393 HydrophobicContact CE2-CE1 4.16Å; F351-Y393 HydrophobicContact CE2-CE2 4.43Å; F351-Y393 AromaticContact CE2-CG 3.55Å; F351-Y393 HydrophobicContact CE2-CG 3.55Å; F351-Y393 AromaticContact CZ-CD1 3.43Å; F351-Y393 HydrophobicContact CZ-CD1 3.43Å; F351-Y393 VanDerWaalsContact CZ-CD1 3.43Å; F351-Y393 HydrophobicContact CZ-CD2 4.35Å; F351-Y393 AromaticContact CZ-CE1 3.59Å; F351-Y393 HydrophobicContact CZ-CE1 3.59Å; F351-Y393 HydrophobicContact CZ-CE2 4.47Å; F351-Y393 AromaticContact CZ-CG 3.84Å; F351-Y393 HydrophobicContact CZ-CG 3.84Å
352W91.5Very high85.4Confident1 Ų150.8 Ų50.80%0.00425%0.25CS..Hα-helixtrans-69.7-47.3-179.8-153.3-96.1000111.8V337 P339 V348 R349 E350 E354 T355 F356 E384 I386V337-W352 VanDerWaalsContact O-CZ3 3.23Å; V337-W352 WeakPolarHBondContact O-CZ3 2.88Å; P339-W352 HydrophobicContact CG-CB 3.82Å; P339-W352 HydrophobicContact CG-CD2 3.57Å; P339-W352 HydrophobicContact CG-CE3 3.98Å; P339-W352 HydrophobicContact CG-CG 3.52Å; V348-W352 WeakPolarHBondContact O-CB 3.29Å; V348-W352 PolarHBondContact O-N 2.04Å; R349-W352 WeakPolarHBondContact O-CB 3.43Å; R349-W352 PolarHBondContact O-N 2.82Å; E350-W352 VanDerWaalsContact C-N 3.29Å; E350-W352 PolarHBondContact O-N 3.04Å; W352-E354 VanDerWaalsContact C-N 3.32Å; W352-E354 PolarHBondContact O-N 2.9Å; W352-T355 PolarHBondContact O-N 2.82Å; W352-F356 AromaticContact CD1-CD2 3.85Å; W352-F356 HydrophobicContact CD2-CD2 4.02Å; W352-F356 AromaticContact CD2-CE2 3.7Å; W352-F356 HydrophobicContact CD2-CE2 3.7Å; W352-F356 AromaticContact CE2-CD2 3.85Å; W352-F356 AromaticContact CE2-CE2 3.47Å; W352-F356 VanDerWaalsContact CE2-CE2 3.47Å; W352-F356 HydrophobicContact CE3-CE2 4.05Å; W352-F356 HydrophobicContact CG-CD2 4.06Å; W352-F356 HydrophobicContact CG-CE2 4.25Å; W352-F356 HydrophobicContact CH2-CE2 4.02Å; W352-F356 HydrophobicContact CZ2-CD2 4.44Å; W352-F356 AromaticContact CZ2-CE2 3.67Å; W352-F356 HydrophobicContact CZ2-CE2 3.67Å; W352-F356 HydrophobicContact CZ2-CZ 4.3Å; W352-F356 HydrophobicContact CZ3-CE2 4.19Å; W352-F356 AromaticContact NE1-CD2 3.7Å; W352-F356 AromaticContact NE1-CE2 3.81Å; W352-F356 WeakPolarHBondContact O-CD2 3.09Å; W352-F356 PolarHBondContact O-N 3.32Å; W352-E384 WeakPolarHBondContact CH2-O 3.48Å; W352-E384 HydrophobicContact CZ2-CB 3.91Å; W352-E384 WeakPolarHBondContact CZ2-O 3.16Å; W352-E384 PolarHBondContact NE1-OE2 3.35Å; W352-I386 HydrophobicContact CH2-CD1 4.21Å; W352-I386 HydrophobicContact CH2-CG1 3.77Å; W352-I386 HydrophobicContact CZ3-CD1 3.81Å; W352-I386 HydrophobicContact CZ3-CG1 3.74Å
353E89.6Confident84.2Confident26 Ų2651.6 Ų51.612%0.12126%0.257CS..Hα-helixtrans-59.7-40.4178.2-68.8179.9155.400111.4R349 E350 N357 C358 L360 S363R349-E353 WeakPolarHBondContact O-CG 3.36Å; R349-E353 PolarHBondContact O-N 2.82Å; E350-E353 PolarHBondContact O-N 2.91Å; E353-N357 CarbonylContact O-C 3.56Å; E353-N357 WeakPolarHBondContact O-CA 3.46Å; E353-N357 PolarHBondContact O-N 2.79Å; E353-C358 WeakPolarHBondContact CA-O 3.32Å; E353-C358 VanDerWaalsContact CB-O 3.32Å; E353-C358 WeakPolarHBondContact CB-O 3.5Å; E353-C358 PolarHBondContact O-N 2.99Å; E353-L360 HydrophobicContact CG-CD1 4.22Å; E353-L360 HydrophobicContact CG-CG 4.23Å; E353-L360 WeakPolarHBondContact OE1-CB 3.28Å; E353-L360 PolarHBondContact OE1-N 3.3Å; E353-S363 WeakPolarHBondContact OE1-CB 3.18Å; E353-S363 PolarHBondContact OE1-OG 3.03Å
354E90.4Very high83Confident78 Ų7852.4 Ų52.436%0.36426%0.26SS..Hα-helixtrans-79.2-30175.4-68.4-60.6112.800114F63 F65 E350 W352 R377F63-E354 HydrophobicContact CB-CG 4.25Å; F65-E354 HydrophobicContact CZ-CB 4.04Å; E350-E354 WeakPolarHBondContact O-CB 3.45Å; E350-E354 WeakPolarHBondContact O-CG 3.5Å; E350-E354 PolarHBondContact O-N 3.49Å; W352-E354 VanDerWaalsContact C-N 3.32Å; W352-E354 PolarHBondContact O-N 2.9Å; E354-R377 IonicContact OE1-CZ 2.69Å; E354-R377 IonicContact OE1-NH1 3.27Å; E354-R377 PolarHBondContact OE1-NH1 2.75Å; E354-R377 IonicContact OE1-NH2 2.8Å; E354-R377 PolarHBondContact OE1-NH2 3.31Å; E354-R377 IonicContact OE2-NH2 2.79Å
355T91.1Very high81.4Confident11 Ų1160.7 Ų60.77%0.06729%0.289CS..Hα-helixtrans-68-44.5176.9-65.70000111.7F351 W352 V389 T391F351-T355 VanDerWaalsContact CE2-OG1 3.27Å; F351-T355 WeakPolarHBondContact CE2-OG1 3.31Å; F351-T355 WeakPolarHBondContact O-CB 3.23Å; F351-T355 PolarHBondContact O-N 2.8Å; F351-T355 PolarHBondContact O-OG1 3.38Å; W352-T355 PolarHBondContact O-N 2.82Å; T355-V389 HydrophobicContact CG2-CB 4.34Å; T355-V389 HydrophobicContact CG2-CG1 4.42Å; T355-T391 HydrophobicContact CG2-CG2 4.07Å
356F91.1Very high79.4Confident40 Ų4067.4 Ų67.418%0.17532%0.324CS..Hα-helixtrans-103.12.5-176.3-60.5-73.6000113.4W352 C358 E384 V389W352-F356 AromaticContact CD1-CD2 3.85Å; W352-F356 HydrophobicContact CD2-CD2 4.02Å; W352-F356 AromaticContact CD2-CE2 3.7Å; W352-F356 HydrophobicContact CD2-CE2 3.7Å; W352-F356 AromaticContact CE2-CD2 3.85Å; W352-F356 AromaticContact CE2-CE2 3.47Å; W352-F356 VanDerWaalsContact CE2-CE2 3.47Å; W352-F356 HydrophobicContact CE3-CE2 4.05Å; W352-F356 HydrophobicContact CG-CD2 4.06Å; W352-F356 HydrophobicContact CG-CE2 4.25Å; W352-F356 HydrophobicContact CH2-CE2 4.02Å; W352-F356 HydrophobicContact CZ2-CD2 4.44Å; W352-F356 AromaticContact CZ2-CE2 3.67Å; W352-F356 HydrophobicContact CZ2-CE2 3.67Å; W352-F356 HydrophobicContact CZ2-CZ 4.3Å; W352-F356 HydrophobicContact CZ3-CE2 4.19Å; W352-F356 AromaticContact NE1-CD2 3.7Å; W352-F356 AromaticContact NE1-CE2 3.81Å; W352-F356 WeakPolarHBondContact O-CD2 3.09Å; W352-F356 PolarHBondContact O-N 3.32Å; F356-C358 VanDerWaalsContact C-N 3.26Å; F356-C358 VanDerWaalsContact CB-SG 3.6Å; F356-C358 PolarHBondContact O-N 3.23Å; F356-E384 HydrophobicContact CD1-CB 3.87Å; F356-E384 HydrophobicContact CD1-CG 4.1Å; F356-E384 HydrophobicContact CD2-CB 3.95Å; F356-E384 HydrophobicContact CD2-CG 4.26Å; F356-E384 HydrophobicContact CE1-CB 3.53Å; F356-E384 HydrophobicContact CE1-CG 4.26Å; F356-E384 HydrophobicContact CE2-CB 3.62Å; F356-E384 HydrophobicContact CE2-CG 4.42Å; F356-E384 HydrophobicContact CG-CB 4.07Å; F356-E384 HydrophobicContact CG-CG 4.09Å; F356-E384 HydrophobicContact CZ-CB 3.38Å; F356-E384 HydrophobicContact CZ-CG 4.41Å; F356-V389 HydrophobicContact CD1-CG2 3.84Å; F356-V389 HydrophobicContact CE1-CG2 3.64Å
357N89.4Confident77.1Confident83 Ų8372.2 Ų72.244%0.44435%0.346SS..THydrogen-bonded Turntrans5242.3-177.8-169.739.9000112.8E353 R377 P378E353-N357 CarbonylContact O-C 3.56Å; E353-N357 WeakPolarHBondContact O-CA 3.46Å; E353-N357 PolarHBondContact O-N 2.79Å; N357-R377 WeakPolarHBondContact O-CG 3.34Å; N357-R377 PolarHBondContact OD1-NE 2.7Å; N357-R377 PolarHBondContact OD1-NH2 3.21Å; N357-R377 VanDerWaalsContact OD1-NH2 3.09Å; N357-P378 WeakPolarHBondContact O-CD 3.31Å
358C89.9Confident74.6Confident5 Ų581 Ų813%0.03439%0.388CS..  trans-123.9-177.6-175.863.20000111E353 F356 P378 C380E353-C358 WeakPolarHBondContact CA-O 3.32Å; E353-C358 VanDerWaalsContact CB-O 3.32Å; E353-C358 WeakPolarHBondContact CB-O 3.5Å; E353-C358 PolarHBondContact O-N 2.99Å; F356-C358 VanDerWaalsContact C-N 3.26Å; F356-C358 VanDerWaalsContact CB-SG 3.6Å; F356-C358 PolarHBondContact O-N 3.23Å; C358-P378 CarbonylContact C-O 3.45Å; C358-P378 WeakPolarHBondContact CA-O 3.43Å; C358-P378 HydrophobicContact CB-CG 4.09Å; C358-P378 WeakPolarHBondContact CB-O 3.34Å; C358-C380 HydrophobicContact CB-CB 4.07Å; C358-C380 WeakPolarHBondContact CB-SG 3.01Å; C358-C380 WeakPolarHBondContact SG-CB 3.23Å; C358-C380 CovalentContact SG-SG 2.03Å; C358-C380 PolarHBondContact SG-SG 3.43Å
359Y84.9Confident71.9Confident98 Ų9886.3 Ų86.338%0.38443%0.425SS..BIsolated β-bridgetrans-128.6146.1172.173.8-88.6000111.9R377 P378 L379 C380Y359-R377 HydrophobicContact CD1-CB 4.28Å; Y359-R377 WeakPolarHBondContact CD1-O 3.42Å; Y359-R377 VanDerWaalsContact CE1-O 3.27Å; Y359-R377 WeakPolarHBondContact CE1-O 3.48Å; Y359-P378 WeakPolarHBondContact CD1-O 3.34Å; Y359-P378 PolarHBondContact N-O 2.03Å; Y359-L379 HydrophobicContact CD2-CD1 3.92Å; Y359-L379 HydrophobicContact CE1-CB 4.26Å; Y359-L379 HydrophobicContact CE2-CB 4.47Å; Y359-L379 HydrophobicContact CE2-CD1 3.38Å; Y359-L379 CarbonylContact O-C 3.56Å; Y359-L379 WeakPolarHBondContact O-CA 3.06Å; Y359-C380 PolarHBondContact N-SG 3.49Å; Y359-C380 PolarHBondContact O-N 3.26Å; Y359-C380 PolarHBondContact O-SG 2.61Å; Y359-C380 VanDerWaalsContact O-SG 3.4Å
360L84.2Confident69.5Low22 Ų2291.3 Ų91.312%0.11545%0.451CS..  trans-90.5147.4174.1-73161000110.9P339 R349 E353 D362 S363 C380P339-L360 HydrophobicContact CB-CD1 4.16Å; P339-L360 HydrophobicContact CG-CD1 4.25Å; R349-L360 HydrophobicContact CB-CD1 4Å; R349-L360 HydrophobicContact CG-CD1 4.15Å; E353-L360 HydrophobicContact CG-CD1 4.22Å; E353-L360 HydrophobicContact CG-CG 4.23Å; E353-L360 WeakPolarHBondContact OE1-CB 3.28Å; E353-L360 PolarHBondContact OE1-N 3.3Å; L360-D362 VanDerWaalsContact C-N 3.32Å; L360-D362 PolarHBondContact O-N 2.88Å; L360-S363 VanDerWaalsContact O-CB 3.3Å; L360-S363 WeakPolarHBondContact O-CB 3.37Å; L360-S363 PolarHBondContact O-N 3.4Å; L360-S363 VanDerWaalsContact O-N 3.13Å; L360-C380 HydrophobicContact CD2-CB 3.76Å; L360-C380 HydrophobicContact CG-CB 4.12Å
361E71.1Confident66.9Low158 Ų15896.1 Ų96.174%0.73848%0.479SS*.THydrogen-bonded Turntrans-67.1-31.2-169.4-143.7164.1-136.300113.6S363 L379E361-S363 VanDerWaalsContact C-N 3.25Å; E361-S363 PolarHBondContact O-N 3.41Å; E361-L379 HydrophobicContact CB-CD1 3.94Å; E361-L379 HydrophobicContact CG-CD1 4.01Å
362D62.9Low64.6Low141 Ų141100 Ų10075%0.75452%0.519SS*.THydrogen-bonded Turntrans-81.714.2175.7-66.4-55.2000113.9R349 L360R349-D362 PolarHBondContact NH1-O 2.94Å; R349-D362 PolarHBondContact NH2-O 2.83Å; L360-D362 VanDerWaalsContact C-N 3.32Å; L360-D362 PolarHBondContact O-N 2.88Å
363S56.7Low62.3Low37 Ų37105.8 Ų105.826%0.25956%0.559SS.*SBendtrans-83.3129.5-177.3-123.20000111.7R349 E353 L360 E361 R365R349-S363 VanDerWaalsContact NH2-N 3.16Å; R349-S363 PolarHBondContact NH2-OG 2.77Å; E353-S363 WeakPolarHBondContact OE1-CB 3.18Å; E353-S363 PolarHBondContact OE1-OG 3.03Å; L360-S363 VanDerWaalsContact O-CB 3.3Å; L360-S363 WeakPolarHBondContact O-CB 3.37Å; L360-S363 PolarHBondContact O-N 3.4Å; L360-S363 VanDerWaalsContact O-N 3.13Å; E361-S363 VanDerWaalsContact C-N 3.25Å; E361-S363 PolarHBondContact O-N 3.41Å; S363-R365 PolarHBondContact O-N 3.27Å; S363-R365 VanDerWaalsContact O-N 3.11Å
364P50.5Low60Low113 Ų113111.2 Ų111.273%0.73459%0.594SS**  trans-65.5116.3-177.627-33.5000109.5L366P364-L366 PolarHBondContact O-N 3.47Å
365R45.8Very low58.1Low239 Ų239112.1 Ų112.190%0.90261%0.609SS**  trans-59.6107.4-178.9-61.3-175.6-171.2-172.41.9110.4S363 Q367S363-R365 PolarHBondContact O-N 3.27Å; S363-R365 VanDerWaalsContact O-N 3.11Å; R365-Q367 PolarHBondContact O-N 2.67Å
366L43.9Very low56.6Low143 Ų143121.1 Ų121.175%0.74965%0.648SS**PPolyproline II helixtrans-56.2121.2155.7-72.8168.4000106.9P364P364-L366 PolarHBondContact O-N 3.47Å
367Q36.5Very low56Low189 Ų189122.9 Ų122.988%0.88365%0.654SS**PPolyproline II helixtrans-64.1147.5-176.4-77.4-175.3-35.200110.9R365 S369R365-Q367 PolarHBondContact O-N 2.67Å; Q367-S369 PolarHBondContact O-N 2.98Å
368E38.2Very low55.9Low186 Ų186122.7 Ų122.787%0.86966%0.657SS**PPolyproline II helixtrans-59.6121.9-168.6-66.9152.7135.200111.4E370E368-E370 PolarHBondContact O-N 2.97Å
369S34.8Very low55.7Low112 Ų112126.1 Ų126.178%0.78368%0.675SS**  trans-75.8105164.2-171.90000108.1Q367 N371Q367-S369 PolarHBondContact O-N 2.98Å; S369-N371 PolarHBondContact O-N 3.44Å
370E37Very low55.9Low184 Ų184121.9 Ų121.986%0.8666%0.659SS**SBendtrans-68.572174.9-70.4-167.4131.200111.7E368E368-E370 PolarHBondContact O-N 2.97Å
371N33.7Very low56Low153 Ų153125.1 Ų125.182%0.81868%0.68SS**SBendtrans-159.6121.5155.6-93.8-56.1000109.8S369 S373S369-N371 PolarHBondContact O-N 3.44Å; N371-S373 PolarHBondContact O-N 2.8Å
372G43.6Very low56.6Low82 Ų82117.7 Ų117.785%0.84565%0.646SS**SBendtrans-85.9110.6-160.400000116
373S43.4Very low57.8Low121 Ų121117.5 Ų117.585%0.84664%0.64SS**  trans-167.750.9141.954.10000114N371N371-S373 PolarHBondContact O-N 2.8Å
374T41.9Very low59.4Low140 Ų140117.9 Ų117.986%0.85964%0.638SS**  trans-104.1140.5169.745.50000111.5
375S49Very low61.3Low97 Ų97116.8 Ų116.868%0.67863%0.626SS**  trans-74.8139177.248.60000111R377S375-R377 PolarHBondContact O-N 2.67Å
376F60.1Low63.4Low200 Ų200105.8 Ų105.888%0.87759%0.585SS**  trans-73.395.6177.9-156.3-83.4000109.1
377R78.3Confident65.5Low78 Ų78102.5 Ų102.529%0.29457%0.571SS.*PPolyproline II helixtrans-58.5136174.2-77-167.3165.5171.1-0.7109.7E354 N357 Y359 S375E354-R377 IonicContact OE1-CZ 2.69Å; E354-R377 IonicContact OE1-NH1 3.27Å; E354-R377 PolarHBondContact OE1-NH1 2.75Å; E354-R377 IonicContact OE1-NH2 2.8Å; E354-R377 PolarHBondContact OE1-NH2 3.31Å; E354-R377 IonicContact OE2-NH2 2.79Å; N357-R377 WeakPolarHBondContact O-CG 3.34Å; N357-R377 PolarHBondContact OD1-NE 2.7Å; N357-R377 PolarHBondContact OD1-NH2 3.21Å; N357-R377 VanDerWaalsContact OD1-NH2 3.09Å; Y359-R377 HydrophobicContact CD1-CB 4.28Å; Y359-R377 WeakPolarHBondContact CD1-O 3.42Å; Y359-R377 VanDerWaalsContact CE1-O 3.27Å; Y359-R377 WeakPolarHBondContact CE1-O 3.48Å; S375-R377 PolarHBondContact O-N 2.67Å
378P87.1Confident67.9Low79 Ų7997.6 Ų97.651%0.51356%0.558SS.*PPolyproline II helixtrans-72.7165.3172.731.6-35.5000111.5N357 C358 Y359N357-P378 WeakPolarHBondContact O-CD 3.31Å; C358-P378 CarbonylContact C-O 3.45Å; C358-P378 WeakPolarHBondContact CA-O 3.43Å; C358-P378 HydrophobicContact CB-CG 4.09Å; C358-P378 WeakPolarHBondContact CB-O 3.34Å; Y359-P378 WeakPolarHBondContact CD1-O 3.34Å; Y359-P378 PolarHBondContact N-O 2.03Å
379L86.8Confident70.3Confident77 Ų7790.8 Ų90.840%0.40353%0.529SS..BIsolated β-bridgetrans-73.6132.6171.3-175.774.4000110.3Y359 E361Y359-L379 HydrophobicContact CD2-CD1 3.92Å; Y359-L379 HydrophobicContact CE1-CB 4.26Å; Y359-L379 HydrophobicContact CE2-CB 4.47Å; Y359-L379 HydrophobicContact CE2-CD1 3.38Å; Y359-L379 CarbonylContact O-C 3.56Å; Y359-L379 WeakPolarHBondContact O-CA 3.06Å; E361-L379 HydrophobicContact CB-CD1 3.94Å; E361-L379 HydrophobicContact CG-CD1 4.01Å
380C87.8Confident72.6Confident9 Ų995.1 Ų95.16%0.06154%0.536CS..PPolyproline II helixtrans-77.2140.7170-42.40000110.6C358 Y359 L360C358-C380 HydrophobicContact CB-CB 4.07Å; C358-C380 WeakPolarHBondContact CB-SG 3.01Å; C358-C380 WeakPolarHBondContact SG-CB 3.23Å; C358-C380 CovalentContact SG-SG 2.03Å; C358-C380 PolarHBondContact SG-SG 3.43Å; Y359-C380 PolarHBondContact N-SG 3.49Å; Y359-C380 PolarHBondContact O-N 3.26Å; Y359-C380 PolarHBondContact O-SG 2.61Å; Y359-C380 VanDerWaalsContact O-SG 3.4Å; L360-C380 HydrophobicContact CD2-CB 3.76Å; L360-C380 HydrophobicContact CG-CB 4.12Å
381T86.9Confident75Confident90 Ų9087.3 Ų87.355%0.55250%0.501SS*.  trans-78.3-24.516966.70000112.6K340 E383 E384K340-T381 PolarHBondContact NZ-O 3.1Å; T381-E383 VanDerWaalsContact C-N 3.28Å; T381-E383 PolarHBondContact OG1-N 2.69Å; T381-E384 WeakPolarHBondContact CA-OE1 3.17Å; T381-E384 WeakPolarHBondContact CB-OE1 2.87Å; T381-E384 PolarHBondContact N-OE1 3.5Å; T381-E384 PolarHBondContact OG1-OE1 2.88Å; T381-E384 PolarHBondContact OG1-OE2 2.05Å
382G84.3Confident77.6Confident2 Ų282 Ų822%0.02148%0.476CS..SBendtrans76.614.6-17400000113.5E384G382-E384 WeakPolarHBondContact CA-OE2 3.43Å; G382-E384 PolarHBondContact N-OE2 3.43Å
383E87.6Confident79.9Confident136 Ų13678.1 Ų78.164%0.63644%0.435SS*.  trans-135.115-180-76.5169.3-133.600111.6K340 T381K340-E383 IonicContact NZ-OE1 2.63Å; K340-E383 PolarHBondContact NZ-OE1 3.37Å; T381-E383 VanDerWaalsContact C-N 3.28Å; T381-E383 PolarHBondContact OG1-N 2.69Å
384E90.1Very high82.1Confident45 Ų4573.8 Ų73.821%0.2140%0.402CS..  trans-57.1147.5170.5-68.770.8-154.900113.2W352 F356 T381 G382 I386W352-E384 WeakPolarHBondContact CH2-O 3.48Å; W352-E384 HydrophobicContact CZ2-CB 3.91Å; W352-E384 WeakPolarHBondContact CZ2-O 3.16Å; W352-E384 PolarHBondContact NE1-OE2 3.35Å; F356-E384 HydrophobicContact CD1-CB 3.87Å; F356-E384 HydrophobicContact CD1-CG 4.1Å; F356-E384 HydrophobicContact CD2-CB 3.95Å; F356-E384 HydrophobicContact CD2-CG 4.26Å; F356-E384 HydrophobicContact CE1-CB 3.53Å; F356-E384 HydrophobicContact CE1-CG 4.26Å; F356-E384 HydrophobicContact CE2-CB 3.62Å; F356-E384 HydrophobicContact CE2-CG 4.42Å; F356-E384 HydrophobicContact CG-CB 4.07Å; F356-E384 HydrophobicContact CG-CG 4.09Å; F356-E384 HydrophobicContact CZ-CB 3.38Å; F356-E384 HydrophobicContact CZ-CG 4.41Å; T381-E384 WeakPolarHBondContact CA-OE1 3.17Å; T381-E384 WeakPolarHBondContact CB-OE1 2.87Å; T381-E384 PolarHBondContact N-OE1 3.5Å; T381-E384 PolarHBondContact OG1-OE1 2.88Å; T381-E384 PolarHBondContact OG1-OE2 2.05Å; G382-E384 WeakPolarHBondContact CA-OE2 3.43Å; G382-E384 PolarHBondContact N-OE2 3.43Å; E384-I386 PolarHBondContact O-N 2.79Å
385D89.9Confident84.1Confident90 Ų9069.1 Ų69.148%0.48137%0.372SS..  trans-82.3105.7177.6-179.52000111.4T387 S388D385-T387 VanDerWaalsContact CG-OG1 3.3Å; D385-T387 PolarHBondContact O-N 2.7Å; D385-T387 WeakPolarHBondContact OD1-CA 3.18Å; D385-T387 WeakPolarHBondContact OD1-CB 3.25Å; D385-T387 PolarHBondContact OD1-N 3.03Å; D385-T387 PolarHBondContact OD1-OG1 2.82Å; D385-T387 PolarHBondContact OD2-OG1 3.26Å; D385-S388 WeakPolarHBondContact O-CB 3.42Å; D385-S388 PolarHBondContact O-N 3.05Å; D385-S388 PolarHBondContact O-OG 2.8Å
386I89.8Confident85.6Confident8 Ų869.7 Ų69.74%0.04136%0.36CS..G310 helixtrans-56.6-31.9176.5-30.3176.3000111.6V337 F351 W352 E384 S388 V389 L394V337-I386 WeakPolarHBondContact O-CD1 3.3Å; F351-I386 HydrophobicContact CZ-CG2 4.27Å; W352-I386 HydrophobicContact CH2-CD1 4.21Å; W352-I386 HydrophobicContact CH2-CG1 3.77Å; W352-I386 HydrophobicContact CZ3-CD1 3.81Å; W352-I386 HydrophobicContact CZ3-CG1 3.74Å; E384-I386 PolarHBondContact O-N 2.79Å; I386-S388 PolarHBondContact O-N 3.49Å; I386-V389 PolarHBondContact O-N 3.24Å; I386-L394 HydrophobicContact CB-CD1 4.35Å; I386-L394 HydrophobicContact CG2-CD1 3.94Å; I386-L394 HydrophobicContact CG2-CD2 4.46Å; I386-L394 HydrophobicContact CG2-CG 4.28Å; I386-L394 VanDerWaalsContact O-CD1 3.27Å; I386-L394 WeakPolarHBondContact O-CD1 3.07Å
387T88.4Confident86.2Confident75 Ų7564.6 Ų64.646%0.4635%0.346SS..G310 helixtrans-74.8-9-177.775.80000113.5Q335 D385 V389Q335-T387 HydrophobicContact CG-CG2 3.99Å; Q335-T387 VanDerWaalsContact NE2-CG2 3.33Å; D385-T387 VanDerWaalsContact CG-OG1 3.3Å; D385-T387 PolarHBondContact O-N 2.7Å; D385-T387 WeakPolarHBondContact OD1-CA 3.18Å; D385-T387 WeakPolarHBondContact OD1-CB 3.25Å; D385-T387 PolarHBondContact OD1-N 3.03Å; D385-T387 PolarHBondContact OD1-OG1 2.82Å; D385-T387 PolarHBondContact OD2-OG1 3.26Å; T387-V389 VanDerWaalsContact C-N 3.35Å
388S87.9Confident86.1Confident86 Ų8662.8 Ų62.860%0.60134%0.34SS*.G310 helixtrans-81.1-10171.373.50000114.2D385 I386D385-S388 WeakPolarHBondContact O-CB 3.42Å; D385-S388 PolarHBondContact O-N 3.05Å; D385-S388 PolarHBondContact O-OG 2.8Å; I386-S388 PolarHBondContact O-N 3.49Å
389V87Confident86.1Confident43 Ų4359.9 Ų59.926%0.26132%0.32SS..SBendtrans-122.5118.6-177.5-170.90000111.2T355 F356 I386 T387 T391T355-V389 HydrophobicContact CG2-CB 4.34Å; T355-V389 HydrophobicContact CG2-CG1 4.42Å; F356-V389 HydrophobicContact CD1-CG2 3.84Å; F356-V389 HydrophobicContact CE1-CG2 3.64Å; I386-V389 PolarHBondContact O-N 3.24Å; T387-V389 VanDerWaalsContact C-N 3.35Å; V389-T391 HydrophobicContact CB-CG2 4.46Å; V389-T391 HydrophobicContact CG1-CG2 3.84Å; V389-T391 PolarHBondContact O-N 3.29Å
390E84.4Confident86.1Confident202 Ų20256.7 Ų56.794%0.94430%0.303SS*.  trans-72110.7173.3-66.8-173.4173.600110.6
391T87.6Confident86.3Confident20 Ų2057 Ų5712%0.12330%0.304CS..  trans-129.3153.7178.361.20000111.4T355 V389 Y393 L394 D395T355-T391 HydrophobicContact CG2-CG2 4.07Å; V389-T391 HydrophobicContact CB-CG2 4.46Å; V389-T391 HydrophobicContact CG1-CG2 3.84Å; V389-T391 PolarHBondContact O-N 3.29Å; T391-Y393 PolarHBondContact O-N 2.85Å; T391-Y393 PolarHBondContact OG1-N 2.73Å; T391-L394 PolarHBondContact O-N 2.96Å; T391-L394 PolarHBondContact OG1-N 2.95Å; T391-D395 PolarHBondContact O-N 3.45Å
392P87.8Confident86.7Confident43 Ų4352.7 Ų52.728%0.27928%0.277SS..THydrogen-bonded Turntrans-62.4-5.6169.9-20.932.9000114.1F65 R66 R69F65-P392 HydrophobicContact CB-CB 4.06Å; F65-P392 HydrophobicContact CB-CG 4.42Å; R66-P392 HydrophobicContact CG-CB 3.91Å; R69-P392 PolarHBondContact NH1-O 3.43Å
393Y91.2Very high87.1Confident0 Ų052.9 Ų52.90%028%0.278CS..THydrogen-bonded Turntrans-78.8-40.3171.5173.8-98.1000112F68 R69 Q72 L334 V337 F351 T391F68-Y393 HydrophobicContact CB-CD2 4.41Å; F68-Y393 AromaticContact CD1-CD2 3.58Å; F68-Y393 HydrophobicContact CD1-CD2 3.58Å; F68-Y393 AromaticContact CD1-CE2 3.34Å; F68-Y393 HydrophobicContact CD1-CE2 3.34Å; F68-Y393 HydrophobicContact CE1-CD2 4.31Å; F68-Y393 AromaticContact CE1-CE2 3.7Å; F68-Y393 HydrophobicContact CE1-CE2 3.7Å; F68-Y393 HydrophobicContact CG-CD2 4.32Å; F68-Y393 HydrophobicContact CG-CE2 4.13Å; R69-Y393 HydrophobicContact CB-CD2 4.07Å; R69-Y393 WeakPolarHBondContact CD-O 2.88Å; R69-Y393 WeakPolarHBondContact CG-O 3.22Å; Q72-Y393 HydrophobicContact CG-CE2 3.99Å; L334-Y393 HydrophobicContact CB-CE1 4.08Å; L334-Y393 HydrophobicContact CD2-CE1 4.16Å; L334-Y393 HydrophobicContact CD2-CE2 3.72Å; L334-Y393 VanDerWaalsContact CD2-CZ 3.48Å; L334-Y393 VanDerWaalsContact CD2-OH 3.3Å; L334-Y393 WeakPolarHBondContact CD2-OH 3.07Å; L334-Y393 PolarHBondContact O-OH 3.32Å; V337-Y393 WeakPolarHBondContact CG2-OH 3.29Å; F351-Y393 HydrophobicContact CE1-CE1 4.29Å; F351-Y393 AromaticContact CE2-CD1 3.66Å; F351-Y393 HydrophobicContact CE2-CD1 3.66Å; F351-Y393 AromaticContact CE2-CD2 3.97Å; F351-Y393 HydrophobicContact CE2-CD2 3.97Å; F351-Y393 HydrophobicContact CE2-CE1 4.16Å; F351-Y393 HydrophobicContact CE2-CE2 4.43Å; F351-Y393 AromaticContact CE2-CG 3.55Å; F351-Y393 HydrophobicContact CE2-CG 3.55Å; F351-Y393 AromaticContact CZ-CD1 3.43Å; F351-Y393 HydrophobicContact CZ-CD1 3.43Å; F351-Y393 VanDerWaalsContact CZ-CD1 3.43Å; F351-Y393 HydrophobicContact CZ-CD2 4.35Å; F351-Y393 AromaticContact CZ-CE1 3.59Å; F351-Y393 HydrophobicContact CZ-CE1 3.59Å; F351-Y393 HydrophobicContact CZ-CE2 4.47Å; F351-Y393 AromaticContact CZ-CG 3.84Å; F351-Y393 HydrophobicContact CZ-CG 3.84Å; T391-Y393 PolarHBondContact O-N 2.85Å; T391-Y393 PolarHBondContact OG1-N 2.73Å
394L89.3Confident87.3Confident30 Ų3047 Ų4716%0.15725%0.25CS..THydrogen-bonded Turntrans-85.5-2.9178.5-68.9-173.1000114.7L334 Q335 I386 T391 Y396L334-L394 HydrophobicContact CB-CD2 4.22Å; Q335-L394 HydrophobicContact CG-CD2 4.35Å; I386-L394 HydrophobicContact CB-CD1 4.35Å; I386-L394 HydrophobicContact CG2-CD1 3.94Å; I386-L394 HydrophobicContact CG2-CD2 4.46Å; I386-L394 HydrophobicContact CG2-CG 4.28Å; I386-L394 VanDerWaalsContact O-CD1 3.27Å; I386-L394 WeakPolarHBondContact O-CD1 3.07Å; T391-L394 PolarHBondContact O-N 2.96Å; T391-L394 PolarHBondContact OG1-N 2.95Å; L394-Y396 WeakPolarHBondContact O-CD1 3.29Å; L394-Y396 PolarHBondContact O-N 3.02Å
395D85.3Confident87.6Confident41 Ų4144.8 Ų44.822%0.21924%0.24CC..  trans-61.8100.5170.1155.350.2000111.6R69 T391 T397 H398R69-D395 IonicContact CZ-OD2 3.5Å; R69-D395 VanDerWaalsContact CZ-OD2 3.27Å; R69-D395 PolarHBondContact NE-O 3.35Å; R69-D395 PolarHBondContact NH1-O 3.22Å; R69-D395 IonicContact NH1-OD2 2.77Å; R69-D395 PolarHBondContact NH1-OD2 3.01Å; R69-D395 PolarHBondContact NH2-O 3.07Å; R69-D395 VanDerWaalsContact NH2-O 3.14Å; R69-D395 IonicContact NH2-OD2 2.69Å; R69-D395 PolarHBondContact NH2-OD2 3.49Å; T391-D395 PolarHBondContact O-N 3.45Å; D395-T397 WeakPolarHBondContact OD1-CB 3.48Å; D395-T397 PolarHBondContact OD1-N 3.45Å; D395-T397 PolarHBondContact OD1-OG1 2.93Å; D395-H398 PolarHBondContact OD1-N 3.5Å
396Y80Confident87.8Confident109 Ų10941.1 Ų41.143%0.42722%0.22SC..  trans-95.33.917054.9-100.9000113.3R331 L394R331-Y396 HydrophobicContact CG-CD1 3.91Å; R331-Y396 HydrophobicContact CG-CE1 4.27Å; R331-Y396 HydrophobicContact CG-CG 4.43Å; R331-Y396 VanDerWaalsContact CZ-CE1 3.5Å; R331-Y396 VanDerWaalsContact CZ-CZ 3.47Å; R331-Y396 PolarHBondContact NH1-OH 2.85Å; R331-Y396 PolarHBondContact NH2-OH 2.72Å; L394-Y396 WeakPolarHBondContact O-CD1 3.29Å; L394-Y396 PolarHBondContact O-N 3.02Å
397T73.4Confident88Confident94 Ų9440.9 Ų40.958%0.57722%0.219SC*.THydrogen-bonded Turntrans-72.6-36.1-178.771.80000111.7D395D395-T397 WeakPolarHBondContact OD1-CB 3.48Å; D395-T397 PolarHBondContact OD1-N 3.45Å; D395-T397 PolarHBondContact OD1-OG1 2.93Å
398H75.3Confident88.3Confident39 Ų3937.3 Ų37.318%0.18120%0.197CC..THydrogen-bonded Turntrans-131.761.9-172.9-63.9-31.9000112.4R69 D395 R400 F490R69-H398 PolarHBondContact NH2-O 3.25Å; R69-H398 VanDerWaalsContact NH2-O 3.14Å; D395-H398 PolarHBondContact OD1-N 3.5Å; H398-R400 PolarHBondContact O-N 2.98Å; H398-F490 AromaticContact CD2-CD2 3.34Å; H398-F490 WeakPolarHBondContact CD2-CD2 3.08Å; H398-F490 AromaticContact CD2-CE2 3.94Å; H398-F490 AromaticContact NE2-CD2 3.45Å; H398-F490 WeakPolarHBondContact NE2-CD2 3.42Å
399L86.5Confident88.8Confident18 Ų1833.2 Ų33.29%0.09417%0.168CC..  trans-67.518.2177.8-64.8178.6000115.6I327 F330 I401 S402 Y403I327-L399 HydrophobicContact CD1-CD1 4.47Å; F330-L399 HydrophobicContact CD1-CD1 3.98Å; F330-L399 HydrophobicContact CD1-CD2 4.14Å; F330-L399 HydrophobicContact CE1-CD2 3.93Å; L399-I401 PolarHBondContact O-N 3.26Å; L399-S402 PolarHBondContact O-N 3.06Å; L399-S402 VanDerWaalsContact O-N 3.13Å; L399-Y403 WeakPolarHBondContact O-CB 3.49Å; L399-Y403 PolarHBondContact O-N 2.61Å
400R88.7Confident89.2Confident11 Ų1133.3 Ų33.34%0.04216%0.164CC..Hα-helixtrans-50.3-49.1-170.4-64.7170.6-172.7-87.50.9113.4L322 A324 H398 N404 E492L322-R400 HydrophobicContact CB-CB 4.45Å; L322-R400 WeakPolarHBondContact O-CD 3.47Å; L322-R400 WeakPolarHBondContact O-CG 3.44Å; L322-R400 PolarHBondContact O-NH1 2.87Å; A324-R400 HydrophobicContact CB-CG 3.87Å; H398-R400 PolarHBondContact O-N 2.98Å; R400-N404 PolarHBondContact O-N 3.37Å; R400-N404 PolarHBondContact O-ND2 3.34Å; R400-N404 VanDerWaalsContact O-ND2 3.11Å; R400-E492 IonicContact CZ-OE1 2.65Å; R400-E492 IonicContact NH1-OE1 3.43Å; R400-E492 IonicContact NH2-OE1 3.86Å; R400-E492 PolarHBondContact NH2-OE1 3.1Å
401I91.6Very high89.7Confident14 Ų1423.8 Ų23.87%0.07212%0.12CC..Hα-helixtrans-79-37.9179.3-60.8172.6000112.2W70 Y167 A168 L322 L399 Y403 N404 A405W70-I401 HydrophobicContact CD2-CB 4.43Å; W70-I401 HydrophobicContact CD2-CG2 3.66Å; W70-I401 HydrophobicContact CE3-CG2 4.18Å; W70-I401 HydrophobicContact CG-CG2 3.95Å; W70-I401 HydrophobicContact CH2-CD1 4.11Å; W70-I401 HydrophobicContact CH2-CG2 4.49Å; W70-I401 HydrophobicContact CZ2-CB 4.23Å; W70-I401 HydrophobicContact CZ2-CD1 3.62Å; W70-I401 HydrophobicContact CZ2-CG2 4.02Å; Y167-I401 HydrophobicContact CD2-CG2 3.71Å; Y167-I401 HydrophobicContact CE2-CG2 4.24Å; A168-I401 HydrophobicContact CB-CG2 4.37Å; L322-I401 HydrophobicContact CD1-CG1 4.29Å; L399-I401 PolarHBondContact O-N 3.26Å; I401-Y403 VanDerWaalsContact C-N 3.25Å; I401-Y403 PolarHBondContact O-N 2.84Å; I401-N404 PolarHBondContact O-N 3.33Å; I401-N404 VanDerWaalsContact O-N 3.14Å; I401-A405 PolarHBondContact O-N 3.47Å; I401-A405 VanDerWaalsContact O-N 3.11Å
402S94.1Very high90.1Very high0 Ų022.8 Ų22.80%011%0.114CC..Hα-helixtrans-56.3-40.6173.1-64.50000111.7R69 A73 L399 A405 Y406R69-S402 PolarHBondContact O-OG 3Å; A73-S402 WeakPolarHBondContact CB-O 3.36Å; L399-S402 PolarHBondContact O-N 3.06Å; L399-S402 VanDerWaalsContact O-N 3.13Å; S402-A405 PolarHBondContact O-N 2.92Å; S402-Y406 WeakPolarHBondContact O-CB 3.24Å; S402-Y406 PolarHBondContact O-N 3.1Å
403Y92.7Very high90.5Very high6 Ų620.8 Ų20.82%0.02410%0.101CC..Hα-helixtrans-63.6-41.4176.7-175.2-107.7000112.1I327 L399 I401 A405 Y406 V407 N456 M458 E460I327-Y403 HydrophobicContact CG1-CD2 3.98Å; L399-Y403 WeakPolarHBondContact O-CB 3.49Å; L399-Y403 PolarHBondContact O-N 2.61Å; I401-Y403 VanDerWaalsContact C-N 3.25Å; I401-Y403 PolarHBondContact O-N 2.84Å; Y403-A405 VanDerWaalsContact C-N 3.31Å; Y403-A405 PolarHBondContact O-N 2.91Å; Y403-Y406 WeakPolarHBondContact O-CB 3.26Å; Y403-Y406 PolarHBondContact O-N 3.07Å; Y403-V407 HydrophobicContact CD1-CG2 4.13Å; Y403-V407 HydrophobicContact CD2-CG2 4.49Å; Y403-V407 HydrophobicContact CE1-CG2 3.81Å; Y403-V407 HydrophobicContact CE2-CG2 4.2Å; Y403-V407 HydrophobicContact CG-CG2 4.47Å; Y403-V407 WeakPolarHBondContact O-CB 3.47Å; Y403-V407 VanDerWaalsContact O-CG2 3.3Å; Y403-V407 WeakPolarHBondContact O-CG2 3.27Å; Y403-V407 PolarHBondContact O-N 3.05Å; Y403-N456 PolarHBondContact OH-ND2 2.8Å; Y403-M458 HydrophobicContact CE2-CG 4.4Å; Y403-M458 WeakPolarHBondContact OH-CG 2.99Å; Y403-E460 PolarHBondContact OH-OE2 2.95Å
404N92.9Very high90.7Very high12 Ų1223 Ų236%0.06411%0.111CC..Hα-helixtrans-68.9-29.9178.5-61.3-26.4000112.5T186 I187 R400 I401 A408T186-N404 PolarHBondContact OG1-O 3.48Å; I187-N404 HydrophobicContact CG2-CB 4.01Å; I187-N404 VanDerWaalsContact CG2-ND2 3.27Å; I187-N404 WeakPolarHBondContact CG2-ND2 3.35Å; R400-N404 PolarHBondContact O-N 3.37Å; R400-N404 PolarHBondContact O-ND2 3.34Å; R400-N404 VanDerWaalsContact O-ND2 3.11Å; I401-N404 PolarHBondContact O-N 3.33Å; I401-N404 VanDerWaalsContact O-N 3.14Å; N404-A408 WeakPolarHBondContact O-CB 3.21Å; N404-A408 PolarHBondContact O-N 3.08Å; N404-A408 VanDerWaalsContact O-N 3.09Å
405A95.6Very high90.9Very high0 Ų021.5 Ų21.50%010%0.103CC..Hα-helixtrans-70.5-45.2170.700000111.9F38 Y167 I401 S402 Y403 V407 A408 V409F38-A405 HydrophobicContact CE1-CB 4.36Å; Y167-A405 HydrophobicContact CD1-CB 4.04Å; Y167-A405 HydrophobicContact CG-CB 3.93Å; I401-A405 PolarHBondContact O-N 3.47Å; I401-A405 VanDerWaalsContact O-N 3.11Å; S402-A405 PolarHBondContact O-N 2.92Å; Y403-A405 VanDerWaalsContact C-N 3.31Å; Y403-A405 PolarHBondContact O-N 2.91Å; A405-V407 PolarHBondContact O-N 3.23Å; A405-A408 WeakPolarHBondContact O-CB 3.28Å; A405-A408 PolarHBondContact O-N 3.48Å; A405-A408 VanDerWaalsContact O-N 3.13Å; A405-V409 PolarHBondContact O-N 2.96Å; A405-V409 VanDerWaalsContact O-N 3.12Å
406Y95.1Very high91.4Very high12 Ų1219.6 Ų19.65%0.0479%0.093CC..Hα-helixtrans-56.6-47.6172.9172.8-88.6000111.9F76 A77 E80 I327 S402 Y403 A408 V409 Y410F76-Y406 HydrophobicContact CD1-CD2 4.27Å; F76-Y406 HydrophobicContact CD1-CE2 4.14Å; F76-Y406 HydrophobicContact CE1-CE2 4.12Å; A77-Y406 HydrophobicContact CB-CD2 3.68Å; A77-Y406 HydrophobicContact CB-CE2 4.15Å; A77-Y406 HydrophobicContact CB-CG 4.42Å; E80-Y406 VanDerWaalsContact OE1-CE2 3.22Å; E80-Y406 WeakPolarHBondContact OE1-CE2 3.23Å; E80-Y406 PolarHBondContact OE1-OH 2.96Å; I327-Y406 HydrophobicContact CD1-CG 4.45Å; I327-Y406 HydrophobicContact CG1-CG 4.5Å; I327-Y406 HydrophobicContact CG2-CD2 3.69Å; I327-Y406 HydrophobicContact CG2-CE2 3.68Å; I327-Y406 HydrophobicContact CG2-CG 4.25Å; S402-Y406 WeakPolarHBondContact O-CB 3.24Å; S402-Y406 PolarHBondContact O-N 3.1Å; Y403-Y406 WeakPolarHBondContact O-CB 3.26Å; Y403-Y406 PolarHBondContact O-N 3.07Å; Y406-A408 VanDerWaalsContact C-N 3.29Å; Y406-A408 PolarHBondContact O-N 2.79Å; Y406-V409 PolarHBondContact O-N 3.11Å; Y406-Y410 HydrophobicContact CD1-CD2 4.15Å; Y406-Y410 HydrophobicContact CD2-CD2 4.29Å; Y406-Y410 HydrophobicContact CD2-CE2 4.29Å; Y406-Y410 AromaticContact CE1-CD2 3.75Å; Y406-Y410 HydrophobicContact CE1-CD2 3.75Å; Y406-Y410 AromaticContact CE1-CE2 3.97Å; Y406-Y410 HydrophobicContact CE1-CE2 3.97Å; Y406-Y410 AromaticContact CE2-CD2 3.9Å; Y406-Y410 HydrophobicContact CE2-CD2 3.9Å; Y406-Y410 AromaticContact CE2-CE2 3.53Å; Y406-Y410 HydrophobicContact CE2-CE2 3.53Å; Y406-Y410 HydrophobicContact CG-CD2 4.39Å; Y406-Y410 AromaticContact CZ-CD2 3.61Å; Y406-Y410 AromaticContact CZ-CE2 3.33Å; Y406-Y410 PolarHBondContact O-N 3.37Å; Y406-Y410 WeakPolarHBondContact OH-CE2 3.42Å
407V93.4Very high92.1Very high4 Ų415.5 Ų15.52%0.0248%0.078CC..Hα-helixtrans-64-31.3176171.60000112.2T186 Y403 A405 S411 M462T186-V407 HydrophobicContact CG2-CB 4.35Å; T186-V407 HydrophobicContact CG2-CG1 3.84Å; Y403-V407 HydrophobicContact CD1-CG2 4.13Å; Y403-V407 HydrophobicContact CD2-CG2 4.49Å; Y403-V407 HydrophobicContact CE1-CG2 3.81Å; Y403-V407 HydrophobicContact CE2-CG2 4.2Å; Y403-V407 HydrophobicContact CG-CG2 4.47Å; Y403-V407 WeakPolarHBondContact O-CB 3.47Å; Y403-V407 VanDerWaalsContact O-CG2 3.3Å; Y403-V407 WeakPolarHBondContact O-CG2 3.27Å; Y403-V407 PolarHBondContact O-N 3.05Å; A405-V407 PolarHBondContact O-N 3.23Å; V407-S411 WeakPolarHBondContact O-CB 3.46Å; V407-S411 PolarHBondContact O-N 3.18Å; V407-S411 PolarHBondContact O-OG 3.16Å; V407-M462 HydrophobicContact CG1-CE 3.62Å; V407-M462 HydrophobicContact CG1-SD 3.76Å; V407-M462 HydrophobicContact CG2-CE 4.01Å
408A95.3Very high93Very high0 Ų013.5 Ų13.50%06%0.063CC..Hα-helixtrans-66.9-45.4175.600000111.4V142 I165 T186 N404 A405 Y406 S411 I412V142-A408 HydrophobicContact CG1-CB 4.15Å; I165-A408 HydrophobicContact CB-CB 4.12Å; I165-A408 HydrophobicContact CG2-CB 3.64Å; T186-A408 HydrophobicContact CG2-CB 3.94Å; N404-A408 WeakPolarHBondContact O-CB 3.21Å; N404-A408 PolarHBondContact O-N 3.08Å; N404-A408 VanDerWaalsContact O-N 3.09Å; A405-A408 WeakPolarHBondContact O-CB 3.28Å; A405-A408 PolarHBondContact O-N 3.48Å; A405-A408 VanDerWaalsContact O-N 3.13Å; Y406-A408 VanDerWaalsContact C-N 3.29Å; Y406-A408 PolarHBondContact O-N 2.79Å; A408-S411 PolarHBondContact O-N 3.2Å; A408-I412 WeakPolarHBondContact O-CG1 3.36Å; A408-I412 PolarHBondContact O-N 3.14Å; A408-I412 VanDerWaalsContact O-N 3.17Å
409V97Very high93.8Very high0 Ų011.9 Ų11.90%06%0.056CC..Hα-helixtrans-60.9-48.5173.3179.80000110.8L34 M74 A77 I78 I81 V142 A405 Y406 S411 I412 A413L34-V409 HydrophobicContact CD1-CG1 4.42Å; M74-V409 HydrophobicContact CB-CG2 4.12Å; M74-V409 HydrophobicContact CG-CG2 3.77Å; A77-V409 HydrophobicContact CB-CB 3.85Å; A77-V409 HydrophobicContact CB-CG1 3.8Å; A77-V409 HydrophobicContact CB-CG2 4.24Å; I78-V409 HydrophobicContact CG1-CG1 3.81Å; I81-V409 HydrophobicContact CD1-CG1 3.72Å; V142-V409 HydrophobicContact CG2-CG2 4.18Å; A405-V409 PolarHBondContact O-N 2.96Å; A405-V409 VanDerWaalsContact O-N 3.12Å; Y406-V409 PolarHBondContact O-N 3.11Å; V409-S411 VanDerWaalsContact C-N 3.27Å; V409-S411 PolarHBondContact O-N 3.28Å; V409-I412 WeakPolarHBondContact O-CB 2.8Å; V409-I412 PolarHBondContact O-N 3.05Å; V409-I412 VanDerWaalsContact O-N 3.09Å; V409-A413 PolarHBondContact O-N 2.87Å
410Y95.3Very high94Very high45 Ų4515 Ų1518%0.1767%0.069CC..Hα-helixtrans-61.9-32.8178.7-99.6-85.8000113.3A77 E80 I81 L87 Y406 A413 Q414A77-Y410 HydrophobicContact CB-CD2 4.32Å; A77-Y410 HydrophobicContact CB-CE2 4.31Å; E80-Y410 WeakPolarHBondContact CG-OH 3.45Å; E80-Y410 PolarHBondContact OE1-OH 3.36Å; I81-Y410 HydrophobicContact CD1-CD2 4.24Å; I81-Y410 HydrophobicContact CD1-CE2 4.1Å; I81-Y410 HydrophobicContact CD1-CG 4.49Å; I81-Y410 HydrophobicContact CG1-CE1 4.08Å; I81-Y410 HydrophobicContact CG1-CE2 4.01Å; L87-Y410 HydrophobicContact CD2-CD1 4.1Å; L87-Y410 HydrophobicContact CD2-CE1 3.73Å; Y406-Y410 HydrophobicContact CD1-CD2 4.15Å; Y406-Y410 HydrophobicContact CD2-CD2 4.29Å; Y406-Y410 HydrophobicContact CD2-CE2 4.29Å; Y406-Y410 AromaticContact CE1-CD2 3.75Å; Y406-Y410 HydrophobicContact CE1-CD2 3.75Å; Y406-Y410 AromaticContact CE1-CE2 3.97Å; Y406-Y410 HydrophobicContact CE1-CE2 3.97Å; Y406-Y410 AromaticContact CE2-CD2 3.9Å; Y406-Y410 HydrophobicContact CE2-CD2 3.9Å; Y406-Y410 AromaticContact CE2-CE2 3.53Å; Y406-Y410 HydrophobicContact CE2-CE2 3.53Å; Y406-Y410 HydrophobicContact CG-CD2 4.39Å; Y406-Y410 AromaticContact CZ-CD2 3.61Å; Y406-Y410 AromaticContact CZ-CE2 3.33Å; Y406-Y410 PolarHBondContact O-N 3.37Å; Y406-Y410 WeakPolarHBondContact OH-CE2 3.42Å; Y410-A413 PolarHBondContact O-N 3.05Å; Y410-Q414 WeakPolarHBondContact O-CB 3.47Å; Y410-Q414 PolarHBondContact O-N 3.47Å
411S95.1Very high94.1Very high1 Ų118.5 Ų18.51%0.0079%0.092CC..Hα-helixtrans-66.7-39.8174.1-62.60000111.9V407 A408 V409 A415 L449 L452V407-S411 WeakPolarHBondContact O-CB 3.46Å; V407-S411 PolarHBondContact O-N 3.18Å; V407-S411 PolarHBondContact O-OG 3.16Å; A408-S411 PolarHBondContact O-N 3.2Å; V409-S411 VanDerWaalsContact C-N 3.27Å; V409-S411 PolarHBondContact O-N 3.28Å; S411-A415 WeakPolarHBondContact O-CB 3.38Å; S411-A415 PolarHBondContact O-N 3.08Å; S411-L449 WeakPolarHBondContact O-CD2 3.37Å; S411-L452 WeakPolarHBondContact O-CD2 3.27Å
412I96.3Very high94.1Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-65-47.7173.8-62.8162.2000110L34 A140 V142 I165 A408 V409 Q414 A415 L416 L449L34-I412 HydrophobicContact CD1-CG2 4.48Å; L34-I412 HydrophobicContact CD2-CG2 3.84Å; A140-I412 HydrophobicContact CB-CD1 3.86Å; A140-I412 HydrophobicContact CB-CG1 4.23Å; A140-I412 HydrophobicContact CB-CG2 4.16Å; V142-I412 HydrophobicContact CG2-CD1 3.71Å; I165-I412 HydrophobicContact CD1-CD1 4.07Å; I165-I412 HydrophobicContact CD1-CG1 3.59Å; I165-I412 HydrophobicContact CG1-CG1 4.48Å; A408-I412 WeakPolarHBondContact O-CG1 3.36Å; A408-I412 PolarHBondContact O-N 3.14Å; A408-I412 VanDerWaalsContact O-N 3.17Å; V409-I412 WeakPolarHBondContact O-CB 2.8Å; V409-I412 PolarHBondContact O-N 3.05Å; V409-I412 VanDerWaalsContact O-N 3.09Å; I412-Q414 VanDerWaalsContact C-N 3.34Å; I412-Q414 PolarHBondContact O-N 2.92Å; I412-A415 WeakPolarHBondContact O-CB 3.49Å; I412-A415 PolarHBondContact O-N 2.88Å; I412-A415 VanDerWaalsContact O-N 3.15Å; I412-L416 HydrophobicContact CG2-CD1 4.14Å; I412-L416 HydrophobicContact CG2-CG 4.48Å; I412-L416 WeakPolarHBondContact O-CG 3.47Å; I412-L416 PolarHBondContact O-N 3.34Å; I412-L449 HydrophobicContact CG1-CD1 4.47Å
413A96.1Very high93.8Very high0 Ų023.1 Ų23.10%012%0.122CC..Hα-helixtrans-62.4-39179.800000112.6I81 L87 L88 L93 V409 Y410 L416 Q417I81-A413 HydrophobicContact CD1-CB 3.64Å; I81-A413 HydrophobicContact CG1-CB 4.33Å; I81-A413 HydrophobicContact CG2-CB 4.27Å; L87-A413 HydrophobicContact CD2-CB 4.09Å; L87-A413 HydrophobicContact CG-CB 4.49Å; L88-A413 HydrophobicContact CD1-CB 4.2Å; L93-A413 HydrophobicContact CD1-CB 4.25Å; V409-A413 PolarHBondContact O-N 2.87Å; Y410-A413 PolarHBondContact O-N 3.05Å; A413-L416 PolarHBondContact O-N 3.19Å; A413-Q417 WeakPolarHBondContact O-CB 3.31Å; A413-Q417 PolarHBondContact O-N 3.04Å
414Q95.3Very high93.5Very high46 Ų4628.5 Ų28.522%0.21516%0.157CC..Hα-helixtrans-70-34.6174.2-171.160.76200112.4Y410 I412 Q417 N418 L452 Y454Y410-Q414 WeakPolarHBondContact O-CB 3.47Å; Y410-Q414 PolarHBondContact O-N 3.47Å; I412-Q414 VanDerWaalsContact C-N 3.34Å; I412-Q414 PolarHBondContact O-N 2.92Å; Q414-Q417 PolarHBondContact O-N 3.41Å; Q414-N418 PolarHBondContact NE2-OD1 3.45Å; Q414-N418 WeakPolarHBondContact O-CB 3.19Å; Q414-N418 PolarHBondContact O-N 2.96Å; Q414-N418 PolarHBondContact O-OD1 2.95Å; Q414-N418 VanDerWaalsContact O-OD1 3.11Å; Q414-L452 HydrophobicContact CB-CD1 4.21Å; Q414-L452 HydrophobicContact CG-CD1 3.9Å; Q414-Y454 HydrophobicContact CB-CD1 4.48Å; Q414-Y454 HydrophobicContact CB-CE1 4.37Å; Q414-Y454 HydrophobicContact CG-CD1 4.04Å; Q414-Y454 HydrophobicContact CG-CD2 4.15Å; Q414-Y454 HydrophobicContact CG-CE1 4.42Å; Q414-Y454 HydrophobicContact CG-CG 3.89Å
415A94.6Very high92.9Very high0 Ų030 Ų300%018%0.175CC..Hα-helixtrans-65.2-38.817200000112.2S411 I412 N418 I419 Q448 L449 L452S411-A415 WeakPolarHBondContact O-CB 3.38Å; S411-A415 PolarHBondContact O-N 3.08Å; I412-A415 WeakPolarHBondContact O-CB 3.49Å; I412-A415 PolarHBondContact O-N 2.88Å; I412-A415 VanDerWaalsContact O-N 3.15Å; A415-N418 PolarHBondContact O-N 3.15Å; A415-I419 WeakPolarHBondContact O-CD1 3.46Å; A415-I419 WeakPolarHBondContact O-CG1 3.49Å; A415-I419 PolarHBondContact O-N 3.34Å; A415-Q448 HydrophobicContact CB-CB 4.03Å; A415-L449 HydrophobicContact CB-CD2 3.77Å; A415-L449 HydrophobicContact CB-CG 3.7Å; A415-L452 HydrophobicContact CB-CD1 4.41Å
416L94.9Very high92.2Very high0 Ų034.8 Ų34.80%021%0.208CC..Hα-helixtrans-65.7-40.9171.3-68.1172.2000111.9I32 L88 L93 I139 I412 A413 N418 I419 F420 I437 I440 V445I32-L416 HydrophobicContact CD1-CD1 4.2Å; I32-L416 HydrophobicContact CD1-CD2 4.26Å; I32-L416 HydrophobicContact CG2-CD1 4.23Å; L88-L416 HydrophobicContact CD1-CB 4.13Å; L88-L416 HydrophobicContact CD1-CD1 4.21Å; L88-L416 HydrophobicContact CD2-CB 3.8Å; L93-L416 HydrophobicContact CD2-CD1 3.84Å; I139-L416 HydrophobicContact CD1-CD1 3.98Å; I139-L416 HydrophobicContact CD1-CD2 3.92Å; I139-L416 HydrophobicContact CD1-CG 4.4Å; I412-L416 HydrophobicContact CG2-CD1 4.14Å; I412-L416 HydrophobicContact CG2-CG 4.48Å; I412-L416 WeakPolarHBondContact O-CG 3.47Å; I412-L416 PolarHBondContact O-N 3.34Å; A413-L416 PolarHBondContact O-N 3.19Å; L416-N418 VanDerWaalsContact C-N 3.3Å; L416-N418 PolarHBondContact O-N 2.62Å; L416-I419 HydrophobicContact CD2-CD1 4.25Å; L416-I419 CarbonylContact O-C 3.59Å; L416-I419 WeakPolarHBondContact O-CA 3.28Å; L416-I419 WeakPolarHBondContact O-CB 3.38Å; L416-I419 PolarHBondContact O-N 3.09Å; L416-F420 PolarHBondContact O-N 3.12Å; L416-I437 HydrophobicContact CB-CD1 4.27Å; L416-I440 HydrophobicContact CD2-CG1 4.4Å; L416-V445 HydrophobicContact CD2-CG2 3.96Å
417Q94.1Very high91.6Very high24 Ų2434.6 Ų34.611%0.11221%0.209CC..Hα-helixtrans-62.8-35.8175.4-175.671.2-3.800112.4I86 L87 L88 A413 Q414 I419 F420 T421I86-Q417 PolarHBondContact O-NE2 2.93Å; L87-Q417 HydrophobicContact CD1-CB 3.6Å; L87-Q417 HydrophobicContact CD1-CG 3.76Å; L88-Q417 HydrophobicContact CD2-CB 4.36Å; A413-Q417 WeakPolarHBondContact O-CB 3.31Å; A413-Q417 PolarHBondContact O-N 3.04Å; Q414-Q417 PolarHBondContact O-N 3.41Å; Q417-I419 PolarHBondContact O-N 3.07Å; Q417-F420 PolarHBondContact O-N 3.27Å; Q417-T421 HydrophobicContact CG-CG2 4.47Å; Q417-T421 PolarHBondContact O-N 2.96Å; Q417-T421 PolarHBondContact O-OG1 3.2Å
418N92.4Very high91.3Very high51 Ų5137.4 Ų37.427%0.27322%0.224SC..Hα-helixtrans-69.5-19.2173.8-69.15.1000112.6Q414 A415 L416 C422Q414-N418 PolarHBondContact NE2-OD1 3.45Å; Q414-N418 WeakPolarHBondContact O-CB 3.19Å; Q414-N418 PolarHBondContact O-N 2.96Å; Q414-N418 PolarHBondContact O-OD1 2.95Å; Q414-N418 VanDerWaalsContact O-OD1 3.11Å; A415-N418 PolarHBondContact O-N 3.15Å; L416-N418 VanDerWaalsContact C-N 3.3Å; L416-N418 PolarHBondContact O-N 2.62Å; N418-C422 WeakPolarHBondContact O-CB 3.35Å
419I92.1Very high90.9Very high5 Ų538.3 Ų38.33%0.02623%0.228CC..Hα-helixtrans-83-48.1167.9-62.9151.9000109.8A415 L416 Q417 T421 C422 A435 I437 I440 V445 Q448A415-I419 WeakPolarHBondContact O-CD1 3.46Å; A415-I419 WeakPolarHBondContact O-CG1 3.49Å; A415-I419 PolarHBondContact O-N 3.34Å; L416-I419 HydrophobicContact CD2-CD1 4.25Å; L416-I419 CarbonylContact O-C 3.59Å; L416-I419 WeakPolarHBondContact O-CA 3.28Å; L416-I419 WeakPolarHBondContact O-CB 3.38Å; L416-I419 PolarHBondContact O-N 3.09Å; Q417-I419 PolarHBondContact O-N 3.07Å; I419-T421 VanDerWaalsContact C-N 3.31Å; I419-T421 PolarHBondContact O-N 3.23Å; I419-C422 WeakPolarHBondContact O-CB 3.23Å; I419-C422 PolarHBondContact O-N 3Å; I419-C422 VanDerWaalsContact O-N 3.09Å; I419-A435 HydrophobicContact CG2-CB 3.97Å; I419-A435 WeakPolarHBondContact CG2-O 3.29Å; I419-I437 HydrophobicContact CG2-CB 4.36Å; I419-I440 HydrophobicContact CD1-CD1 3.5Å; I419-I440 VanDerWaalsContact CD1-CD1 3.5Å; I419-I440 HydrophobicContact CD1-CG1 4.27Å; I419-I440 HydrophobicContact CG1-CD1 4.33Å; I419-I440 HydrophobicContact CG2-CD1 4.07Å; I419-V445 HydrophobicContact CD1-CG2 4.48Å; I419-Q448 HydrophobicContact CD1-CG 3.93Å; I419-Q448 HydrophobicContact CG1-CG 3.68Å
420F91.2Very high90.2Very high85 Ų8542 Ų4237%0.37326%0.259SS..Hα-helixtrans-57.9-40.4-178.3-175.1-120.3000113.4P89 I91 L416 Q417 I437P89-F420 HydrophobicContact CG-CE1 3.79Å; P89-F420 HydrophobicContact CG-CZ 4.37Å; I91-F420 HydrophobicContact CD1-CD2 3.68Å; I91-F420 HydrophobicContact CD1-CE2 3.78Å; I91-F420 HydrophobicContact CD1-CG 4.43Å; L416-F420 PolarHBondContact O-N 3.12Å; Q417-F420 PolarHBondContact O-N 3.27Å; F420-I437 HydrophobicContact CB-CD1 3.86Å; F420-I437 HydrophobicContact CD2-CD1 4.41Å; F420-I437 HydrophobicContact CD2-CG2 4.05Å; F420-I437 HydrophobicContact CG-CD1 4.49Å
421T91.1Very high89.5Confident83 Ų8347.8 Ų47.851%0.50929%0.292SS..THydrogen-bonded Turntrans-93.57.9179.860.70000113.5Q417 I419 T423Q417-T421 HydrophobicContact CG-CG2 4.47Å; Q417-T421 PolarHBondContact O-N 2.96Å; Q417-T421 PolarHBondContact O-OG1 3.2Å; I419-T421 VanDerWaalsContact C-N 3.31Å; I419-T421 PolarHBondContact O-N 3.23Å; T421-T423 PolarHBondContact O-N 2.76Å
422C91.2Very high89Confident27 Ų2752.2 Ų52.218%0.18232%0.316CS..PPolyproline II helixtrans-66.7125.1-176.8-1750000112.2N418 I419 G427 C434N418-C422 WeakPolarHBondContact O-CB 3.35Å; I419-C422 WeakPolarHBondContact O-CB 3.23Å; I419-C422 PolarHBondContact O-N 3Å; I419-C422 VanDerWaalsContact O-N 3.09Å; C422-G427 WeakPolarHBondContact SG-CA 3.36Å; C422-C434 HydrophobicContact CB-CB 3.61Å; C422-C434 WeakPolarHBondContact CB-SG 3.33Å; C422-C434 PolarHBondContact O-SG 3.13Å; C422-C434 VanDerWaalsContact SG-CA 3.58Å; C422-C434 WeakPolarHBondContact SG-CB 3.37Å; C422-C434 CovalentContact SG-SG 2.03Å; C422-C434 PolarHBondContact SG-SG 2.66Å
423T88.1Confident88.6Confident85 Ų8554.6 Ų54.652%0.52133%0.332SS..PPolyproline II helixtrans-93127174.548.90000111.3T421 G425 C426 C434T421-T423 PolarHBondContact O-N 2.76Å; T423-G425 PolarHBondContact O-N 3.09Å; T423-C426 PolarHBondContact O-N 2.72Å; T423-C434 PolarHBondContact O-SG 3.05Å
424P85.5Confident88.2Confident119 Ų11956.3 Ų56.377%0.77334%0.344SS*.THydrogen-bonded Turntrans-55.9130.6176.2-27.535.7000112.1
425G80.6Confident87.8Confident43 Ų4355 Ų5544%0.44334%0.341SS..THydrogen-bonded Turntrans100.1-17.8-17100000113.9T423 N432T423-G425 PolarHBondContact O-N 3.09Å; G425-N432 VanDerWaalsContact C-CB 3.44Å; G425-N432 PolarHBondContact N-O 3.24Å; G425-N432 WeakPolarHBondContact O-CB 3.48Å; G425-N432 PolarHBondContact O-ND2 2.69Å
426C81.3Confident87.4Confident100 Ų10059 Ų5968%0.67636%0.363SS*.SBendtrans-117.90.9175.3-63.20000113.8T423T423-C426 PolarHBondContact O-N 2.72Å
427G83.6Confident87.1Confident8 Ų859.8 Ų59.88%0.08237%0.367CS..SBendtrans-76.3158.8-177.600000114.2C422 F429 N432 S433C422-G427 WeakPolarHBondContact SG-CA 3.36Å; G427-F429 VanDerWaalsContact C-N 3.29Å; G427-F429 PolarHBondContact O-N 2.94Å; G427-N432 PolarHBondContact N-O 3.01Å; G427-N432 VanDerWaalsContact N-O 3.11Å; G427-N432 CarbonylContact O-C 3.57Å; G427-N432 VanDerWaalsContact O-CA 3.28Å; G427-N432 WeakPolarHBondContact O-CA 3.35Å; G427-S433 CarbonylContact C-O 3.41Å; G427-S433 WeakPolarHBondContact CA-O 3.28Å
428L85.8Confident86.6Confident63 Ų6366.7 Ų66.733%0.3339%0.392SS..SBendtrans-78.9-3.9-177.3-61.1-176.3000114.4K447 Q448 H451L428-K447 VanDerWaalsContact O-CE 3.27Å; L428-K447 WeakPolarHBondContact O-CE 3.43Å; L428-K447 PolarHBondContact O-NZ 3.19Å; L428-Q448 VanDerWaalsContact CD1-OE1 3.32Å; L428-H451 HydrophobicContact CD1-CB 3.74Å
429F86.7Confident86.2Confident20 Ų2072 Ų729%0.08841%0.413CS..SBendtrans-95178.4-175.1-55.7-80.8000111.9G427 N432 S433 A435 W443 Q444 K447 Q448G427-F429 VanDerWaalsContact C-N 3.29Å; G427-F429 PolarHBondContact O-N 2.94Å; F429-N432 WeakPolarHBondContact O-CA 3.49Å; F429-N432 PolarHBondContact O-N 3.27Å; F429-S433 WeakPolarHBondContact CB-O 3.24Å; F429-S433 WeakPolarHBondContact CB-OG 3.32Å; F429-S433 WeakPolarHBondContact CD2-O 3.14Å; F429-S433 PolarHBondContact N-O 2.01Å; F429-S433 PolarHBondContact O-N 3.41Å; F429-A435 HydrophobicContact CD2-CB 4.36Å; F429-A435 HydrophobicContact CE2-CB 3.92Å; F429-A435 HydrophobicContact CZ-CB 4.3Å; F429-W443 AromaticContact CD1-CH2 3.96Å; F429-W443 HydrophobicContact CD1-CH2 3.96Å; F429-W443 AromaticContact CD1-CZ3 3.96Å; F429-W443 HydrophobicContact CD1-CZ3 3.96Å; F429-W443 HydrophobicContact CE1-CH2 4.09Å; F429-W443 AromaticContact CE1-CZ3 3.82Å; F429-W443 HydrophobicContact CE1-CZ3 3.82Å; F429-Q444 HydrophobicContact CE1-CB 3.85Å; F429-Q444 HydrophobicContact CE1-CG 3.97Å; F429-Q444 HydrophobicContact CZ-CB 3.77Å; F429-Q444 HydrophobicContact CZ-CG 4.3Å; F429-K447 HydrophobicContact CD1-CD 4.18Å; F429-K447 HydrophobicContact CE1-CB 4.43Å; F429-K447 HydrophobicContact CE1-CD 3.95Å; F429-Q448 HydrophobicContact CZ-CG 4.38Å
430A82Confident86.1Confident78 Ų7872.8 Ų72.865%0.64542%0.417SS*.G310 helixtrans-57141.7-173.600000111.7N432 S433A430-N432 PolarHBondContact O-N 3.02Å; A430-S433 VanDerWaalsContact O-CB 3.26Å; A430-S433 WeakPolarHBondContact O-CB 3.47Å; A430-S433 PolarHBondContact O-N 2.92Å; A430-S433 VanDerWaalsContact O-N 3.13Å; A430-S433 PolarHBondContact O-OG 2.89Å
431N82.4Confident85.9Confident166 Ų16673.6 Ų73.689%0.88842%0.421SS*.G310 helixtrans54.332.5-172.6-55.7-17000113.8S433N431-S433 PolarHBondContact O-N 3.42Å
432N83.8Confident85.9Confident93 Ų9369.9 Ų69.950%0.49740%0.399SS..G310 helixtrans53.333.3-174.2-55.98.2000114.1G425 G427 F429 A430G425-N432 VanDerWaalsContact C-CB 3.44Å; G425-N432 PolarHBondContact N-O 3.24Å; G425-N432 WeakPolarHBondContact O-CB 3.48Å; G425-N432 PolarHBondContact O-ND2 2.69Å; G427-N432 PolarHBondContact N-O 3.01Å; G427-N432 VanDerWaalsContact N-O 3.11Å; G427-N432 CarbonylContact O-C 3.57Å; G427-N432 VanDerWaalsContact O-CA 3.28Å; G427-N432 WeakPolarHBondContact O-CA 3.35Å; F429-N432 WeakPolarHBondContact O-CA 3.49Å; F429-N432 PolarHBondContact O-N 3.27Å; A430-N432 PolarHBondContact O-N 3.02Å
433S87.3Confident85.9Confident50 Ų5073.9 Ų73.935%0.3541%0.411SS..  trans-74.5162.8178.155.70000112.7G427 F429 A430 N431G427-S433 CarbonylContact C-O 3.41Å; G427-S433 WeakPolarHBondContact CA-O 3.28Å; F429-S433 WeakPolarHBondContact CB-O 3.24Å; F429-S433 WeakPolarHBondContact CB-OG 3.32Å; F429-S433 WeakPolarHBondContact CD2-O 3.14Å; F429-S433 PolarHBondContact N-O 2.01Å; F429-S433 PolarHBondContact O-N 3.41Å; A430-S433 VanDerWaalsContact O-CB 3.26Å; A430-S433 WeakPolarHBondContact O-CB 3.47Å; A430-S433 PolarHBondContact O-N 2.92Å; A430-S433 VanDerWaalsContact O-N 3.13Å; A430-S433 PolarHBondContact O-OG 2.89Å; N431-S433 PolarHBondContact O-N 3.42Å
434C87.9Confident86.1Confident37 Ų3771 Ų7125%0.2539%0.391CS..  trans-109.3149.7174.3-630000109.9C422 T423C422-C434 HydrophobicContact CB-CB 3.61Å; C422-C434 WeakPolarHBondContact CB-SG 3.33Å; C422-C434 PolarHBondContact O-SG 3.13Å; C422-C434 VanDerWaalsContact SG-CA 3.58Å; C422-C434 WeakPolarHBondContact SG-CB 3.37Å; C422-C434 CovalentContact SG-SG 2.03Å; C422-C434 PolarHBondContact SG-SG 2.66Å; T423-C434 PolarHBondContact O-SG 3.05Å
435A87.6Confident86.5Confident18 Ų1865.3 Ų65.315%0.14935%0.354CS..  trans-83.3150.4172.200000111I419 F429 I440I419-A435 HydrophobicContact CG2-CB 3.97Å; I419-A435 WeakPolarHBondContact CG2-O 3.29Å; F429-A435 HydrophobicContact CD2-CB 4.36Å; F429-A435 HydrophobicContact CE2-CB 3.92Å; F429-A435 HydrophobicContact CZ-CB 4.3Å; A435-I440 HydrophobicContact CB-CD1 3.98Å
436D86.5Confident87.1Confident85 Ų8563.6 Ų63.646%0.45534%0.335SS..  trans-81.3117.5169.1177.26.4000109.1R438 K439 I440D436-R438 PolarHBondContact O-N 3.12Å; D436-R438 PolarHBondContact OD1-N 3.26Å; D436-K439 HydrophobicContact CB-CB 4.44Å; D436-K439 CarbonylContact O-C 3.44Å; D436-K439 VanDerWaalsContact O-C 3.3Å; D436-K439 PolarHBondContact O-N 2.96Å; D436-I440 PolarHBondContact O-N 3.11Å
437I87.1Confident87.6Confident16 Ų1662.4 Ų62.48%0.08232%0.318CS..G310 helixtrans-63-25.9-179.9-166.6157000113.1I32 L88 I91 L416 I419 F420 K439 I440I32-I437 HydrophobicContact CD1-CD1 4.36Å; I32-I437 HydrophobicContact CD1-CG1 3.89Å; L88-I437 HydrophobicContact CD2-CD1 4.03Å; I91-I437 HydrophobicContact CD1-CB 4.36Å; I91-I437 HydrophobicContact CD1-CD1 3.62Å; I91-I437 HydrophobicContact CD1-CG1 3.94Å; I91-I437 HydrophobicContact CD1-CG2 3.55Å; L416-I437 HydrophobicContact CB-CD1 4.27Å; I419-I437 HydrophobicContact CG2-CB 4.36Å; F420-I437 HydrophobicContact CB-CD1 3.86Å; F420-I437 HydrophobicContact CD2-CD1 4.41Å; F420-I437 HydrophobicContact CD2-CG2 4.05Å; F420-I437 HydrophobicContact CG-CD1 4.49Å; I437-K439 PolarHBondContact O-N 2.67Å; I437-I440 WeakPolarHBondContact O-CG2 3.15Å
438R84.5Confident88Confident168 Ų16862.5 Ų62.563%0.63432%0.317SS*.G310 helixtrans-78.2-4.2176.4-66-170.5171.9-76.3-6.6113.2D31 D436D31-R438 IonicContact OD1-NH1 2.72Å; D31-R438 PolarHBondContact OD1-NH1 3.38Å; D436-R438 PolarHBondContact O-N 3.12Å; D436-R438 PolarHBondContact OD1-N 3.26Å
439K84.7Confident88.3Confident164 Ų16459.5 Ų59.571%0.71330%0.301SS*.G310 helixtrans-138.936.9179-59.1-173.1-178.6-172.70110.7D436 I437D436-K439 HydrophobicContact CB-CB 4.44Å; D436-K439 CarbonylContact O-C 3.44Å; D436-K439 VanDerWaalsContact O-C 3.3Å; D436-K439 PolarHBondContact O-N 2.96Å; I437-K439 PolarHBondContact O-N 2.67Å
440I88.8Confident88.5Confident21 Ų2163.9 Ų63.911%0.10832%0.317CS..  trans-74.1129.2-171.3-167.875.1000111.6I32 I139 L416 I419 A435 D436 I437 Q444 V445I32-I440 HydrophobicContact CD1-CG2 4.36Å; I139-I440 HydrophobicContact CG2-CG2 4.04Å; L416-I440 HydrophobicContact CD2-CG1 4.4Å; I419-I440 HydrophobicContact CD1-CD1 3.5Å; I419-I440 VanDerWaalsContact CD1-CD1 3.5Å; I419-I440 HydrophobicContact CD1-CG1 4.27Å; I419-I440 HydrophobicContact CG1-CD1 4.33Å; I419-I440 HydrophobicContact CG2-CD1 4.07Å; A435-I440 HydrophobicContact CB-CD1 3.98Å; D436-I440 PolarHBondContact O-N 3.11Å; I437-I440 WeakPolarHBondContact O-CG2 3.15Å; I440-Q444 HydrophobicContact CD1-CB 3.96Å; I440-Q444 VanDerWaalsContact CD1-OE1 3.31Å; I440-V445 HydrophobicContact CD1-CG2 4.31Å; I440-V445 HydrophobicContact CG1-CG2 3.58Å
441E88.1Confident88.9Confident101 Ų10165.4 Ų65.447%0.47231%0.311SS..  trans-97.3144.1174.8-59.5177.7115.900110.7W443 Q444 V445E441-W443 PolarHBondContact O-N 2.8Å; E441-W443 VanDerWaalsContact O-N 3.11Å; E441-W443 PolarHBondContact OE2-NE1 3.21Å; E441-Q444 HydrophobicContact CB-CG 4.09Å; E441-Q444 VanDerWaalsContact O-CB 3.26Å; E441-Q444 WeakPolarHBondContact O-CB 3.35Å; E441-Q444 PolarHBondContact O-N 3.43Å; E441-Q444 PolarHBondContact OE2-NE2 3.46Å; E441-V445 PolarHBondContact O-N 2.66Å
442A91.6Very high89.3Confident6 Ų657.5 Ų57.55%0.0527%0.268CS..Hα-helixtrans-54.9-36.7-174.200000113.9I139 I162 P163 Q444 V445 L446I139-A442 WeakPolarHBondContact O-CA 3.46Å; I139-A442 WeakPolarHBondContact O-CB 3.37Å; I162-A442 HydrophobicContact CB-CB 4.26Å; I162-A442 HydrophobicContact CG1-CB 3.83Å; I162-A442 HydrophobicContact CG2-CB 4.46Å; P163-A442 VanDerWaalsContact CD-O 3.32Å; P163-A442 WeakPolarHBondContact CD-O 3.46Å; A442-Q444 VanDerWaalsContact C-N 3.27Å; A442-Q444 PolarHBondContact O-N 3.19Å; A442-V445 WeakPolarHBondContact O-CB 2.85Å; A442-V445 PolarHBondContact O-N 3.43Å; A442-L446 PolarHBondContact O-N 3.1Å
443W90.2Very high89.6Confident111 Ų11157.7 Ų57.742%0.4227%0.269SS..Hα-helixtrans-65.6-27.117774.7-95.3000113.5Y161 F429 E441 K447Y161-W443 HydrophobicContact CG-CB 4.49Å; F429-W443 AromaticContact CD1-CH2 3.96Å; F429-W443 HydrophobicContact CD1-CH2 3.96Å; F429-W443 AromaticContact CD1-CZ3 3.96Å; F429-W443 HydrophobicContact CD1-CZ3 3.96Å; F429-W443 HydrophobicContact CE1-CH2 4.09Å; F429-W443 AromaticContact CE1-CZ3 3.82Å; F429-W443 HydrophobicContact CE1-CZ3 3.82Å; E441-W443 PolarHBondContact O-N 2.8Å; E441-W443 VanDerWaalsContact O-N 3.11Å; E441-W443 PolarHBondContact OE2-NE1 3.21Å; W443-K447 PolarHBondContact O-N 3.03Å
444Q92.1Very high89.7Confident23 Ų2356.8 Ų56.811%0.10726%0.258CS..Hα-helixtrans-72.2-39.7177.5-58171.9-4.900109.9F429 I440 E441 A442 K447 Q448F429-Q444 HydrophobicContact CE1-CB 3.85Å; F429-Q444 HydrophobicContact CE1-CG 3.97Å; F429-Q444 HydrophobicContact CZ-CB 3.77Å; F429-Q444 HydrophobicContact CZ-CG 4.3Å; I440-Q444 HydrophobicContact CD1-CB 3.96Å; I440-Q444 VanDerWaalsContact CD1-OE1 3.31Å; E441-Q444 HydrophobicContact CB-CG 4.09Å; E441-Q444 VanDerWaalsContact O-CB 3.26Å; E441-Q444 WeakPolarHBondContact O-CB 3.35Å; E441-Q444 PolarHBondContact O-N 3.43Å; E441-Q444 PolarHBondContact OE2-NE2 3.46Å; A442-Q444 VanDerWaalsContact C-N 3.27Å; A442-Q444 PolarHBondContact O-N 3.19Å; Q444-K447 PolarHBondContact O-N 2.62Å; Q444-Q448 WeakPolarHBondContact O-CG 3.3Å; Q444-Q448 PolarHBondContact O-N 3.13Å; Q444-Q448 VanDerWaalsContact O-N 3.1Å
445V93.7Very high89.8Confident0 Ų059.2 Ų59.20%027%0.272CS..Hα-helixtrans-65-44.9172.3-171.90000110.6I139 P163 L416 I419 I440 E441 A442 K447 Q448 L449I139-V445 HydrophobicContact CD1-CG2 4.09Å; P163-V445 HydrophobicContact CG-CB 4.31Å; P163-V445 HydrophobicContact CG-CG1 4.32Å; L416-V445 HydrophobicContact CD2-CG2 3.96Å; I419-V445 HydrophobicContact CD1-CG2 4.48Å; I440-V445 HydrophobicContact CD1-CG2 4.31Å; I440-V445 HydrophobicContact CG1-CG2 3.58Å; E441-V445 PolarHBondContact O-N 2.66Å; A442-V445 WeakPolarHBondContact O-CB 2.85Å; A442-V445 PolarHBondContact O-N 3.43Å; V445-K447 VanDerWaalsContact C-N 3.31Å; V445-K447 PolarHBondContact O-N 3.24Å; V445-Q448 PolarHBondContact O-N 3.37Å; V445-L449 HydrophobicContact CG1-CD1 3.86Å; V445-L449 HydrophobicContact CG1-CG 4.45Å; V445-L449 WeakPolarHBondContact O-CB 3.34Å; V445-L449 WeakPolarHBondContact O-CG 3.45Å; V445-L449 PolarHBondContact O-N 3.42Å
446L93.4Very high89.7Confident8 Ų859.4 Ų59.44%0.04227%0.271CS..Hα-helixtrans-56.7-42.1172.817562.1000112.2Y161 P163 M184 A442 L449 R450Y161-L446 HydrophobicContact CD1-CD2 4.36Å; Y161-L446 WeakPolarHBondContact O-CD2 3.04Å; P163-L446 HydrophobicContact CB-CB 3.95Å; P163-L446 HydrophobicContact CB-CD1 4Å; P163-L446 HydrophobicContact CG-CB 4.14Å; M184-L446 HydrophobicContact CE-CD1 3.83Å; M184-L446 HydrophobicContact SD-CD1 3.94Å; A442-L446 PolarHBondContact O-N 3.1Å; L446-L449 PolarHBondContact O-N 3.13Å; L446-R450 WeakPolarHBondContact O-CG 2.99Å; L446-R450 PolarHBondContact O-N 3.07Å
447K91.9Very high89.3Confident75 Ų7560 Ų6033%0.32628%0.282SS..Hα-helixtrans-64.7-39.5178.1-173.3174.1-174.8-178.40112.1L428 F429 W443 Q444 V445 H451L428-K447 VanDerWaalsContact O-CE 3.27Å; L428-K447 WeakPolarHBondContact O-CE 3.43Å; L428-K447 PolarHBondContact O-NZ 3.19Å; F429-K447 HydrophobicContact CD1-CD 4.18Å; F429-K447 HydrophobicContact CE1-CB 4.43Å; F429-K447 HydrophobicContact CE1-CD 3.95Å; W443-K447 PolarHBondContact O-N 3.03Å; Q444-K447 PolarHBondContact O-N 2.62Å; V445-K447 VanDerWaalsContact C-N 3.31Å; V445-K447 PolarHBondContact O-N 3.24Å; K447-H451 PolarHBondContact O-ND1 3.04Å
448Q92.4Very high89Confident10 Ų1063 Ų635%0.04730%0.296CS..Hα-helixtrans-69-44.4176.5-73.1-83.421.200112A415 I419 L428 F429 Q444 V445 R450 H451 L452A415-Q448 HydrophobicContact CB-CB 4.03Å; I419-Q448 HydrophobicContact CD1-CG 3.93Å; I419-Q448 HydrophobicContact CG1-CG 3.68Å; L428-Q448 VanDerWaalsContact CD1-OE1 3.32Å; F429-Q448 HydrophobicContact CZ-CG 4.38Å; Q444-Q448 WeakPolarHBondContact O-CG 3.3Å; Q444-Q448 PolarHBondContact O-N 3.13Å; Q444-Q448 VanDerWaalsContact O-N 3.1Å; V445-Q448 PolarHBondContact O-N 3.37Å; Q448-R450 VanDerWaalsContact C-N 3.3Å; Q448-R450 PolarHBondContact O-N 2.9Å; Q448-H451 CarbonylContact O-C 3.59Å; Q448-H451 PolarHBondContact O-N 2.84Å; Q448-L452 PolarHBondContact O-N 3.43Å; Q448-L452 VanDerWaalsContact O-N 3.09Å
449L92.8Very high88.8Confident0 Ų057.9 Ų57.90%030%0.295CS..Hα-helixtrans-56.1-41.5176.9-77.3161.8000112.3P163 I165 M184 S411 I412 A415 V445 L446 H451 L452 F464P163-L449 HydrophobicContact CB-CD1 3.8Å; P163-L449 HydrophobicContact CG-CD1 4.08Å; I165-L449 HydrophobicContact CD1-CD1 4.08Å; I165-L449 HydrophobicContact CD1-CD2 3.87Å; M184-L449 HydrophobicContact CE-CB 3.55Å; M184-L449 HydrophobicContact CE-CD1 3.49Å; M184-L449 VanDerWaalsContact CE-CD1 3.49Å; M184-L449 HydrophobicContact CE-CG 4.03Å; M184-L449 HydrophobicContact SD-CB 3.9Å; S411-L449 WeakPolarHBondContact O-CD2 3.37Å; I412-L449 HydrophobicContact CG1-CD1 4.47Å; A415-L449 HydrophobicContact CB-CD2 3.77Å; A415-L449 HydrophobicContact CB-CG 3.7Å; V445-L449 HydrophobicContact CG1-CD1 3.86Å; V445-L449 HydrophobicContact CG1-CG 4.45Å; V445-L449 WeakPolarHBondContact O-CB 3.34Å; V445-L449 WeakPolarHBondContact O-CG 3.45Å; V445-L449 PolarHBondContact O-N 3.42Å; L446-L449 PolarHBondContact O-N 3.13Å; L449-H451 PolarHBondContact O-N 3.18Å; L449-L452 HydrophobicContact CD2-CD2 4.23Å; L449-L452 WeakPolarHBondContact O-CB 3.41Å; L449-L452 PolarHBondContact O-N 2.97Å; L449-L452 VanDerWaalsContact O-N 3.12Å; L449-F464 HydrophobicContact CD2-CE2 4.3Å; L449-F464 WeakPolarHBondContact O-CD2 3.41Å
450R90.5Very high88.7Confident112 Ų11251.3 Ų51.342%0.42327%0.267SS..THydrogen-bonded Turntrans-64.5-18.6174.8-73.1175.4172-154.30.7115.3K181 M184 L446 Q448K181-R450 PolarHBondContact O-NH2 3.03Å; M184-R450 HydrophobicContact SD-CG 4.4Å; L446-R450 WeakPolarHBondContact O-CG 2.99Å; L446-R450 PolarHBondContact O-N 3.07Å; Q448-R450 VanDerWaalsContact C-N 3.3Å; Q448-R450 PolarHBondContact O-N 2.9Å
451H90Very high88.5Confident110 Ų11057 Ų5751%0.50929%0.292SS..THydrogen-bonded Turntrans-109.89.7176.6-61.981.8000111.8L428 K447 Q448 L449 N453L428-H451 HydrophobicContact CD1-CB 3.74Å; K447-H451 PolarHBondContact O-ND1 3.04Å; Q448-H451 CarbonylContact O-C 3.59Å; Q448-H451 PolarHBondContact O-N 2.84Å; L449-H451 PolarHBondContact O-N 3.18Å; H451-N453 PolarHBondContact O-N 2.58Å
452L90.2Very high88.4Confident0 Ų052.8 Ų52.80%027%0.272CS..  trans-68.2132.5-176.3-16367.8000110.5S411 Q414 A415 Q448 L449 Y454 H463 F464S411-L452 WeakPolarHBondContact O-CD2 3.27Å; Q414-L452 HydrophobicContact CB-CD1 4.21Å; Q414-L452 HydrophobicContact CG-CD1 3.9Å; A415-L452 HydrophobicContact CB-CD1 4.41Å; Q448-L452 PolarHBondContact O-N 3.43Å; Q448-L452 VanDerWaalsContact O-N 3.09Å; L449-L452 HydrophobicContact CD2-CD2 4.23Å; L449-L452 WeakPolarHBondContact O-CB 3.41Å; L449-L452 PolarHBondContact O-N 2.97Å; L449-L452 VanDerWaalsContact O-N 3.12Å; L452-Y454 HydrophobicContact CD1-CD1 4.33Å; L452-Y454 HydrophobicContact CD2-CD1 3.92Å; L452-Y454 HydrophobicContact CD2-CE1 3.66Å; L452-Y454 HydrophobicContact CG-CD1 3.85Å; L452-Y454 HydrophobicContact CG-CE1 4.14Å; L452-H463 WeakPolarHBondContact O-CA 3.3Å; L452-H463 PolarHBondContact O-ND1 2.76Å; L452-F464 HydrophobicContact CB-CD2 4.39Å; L452-F464 HydrophobicContact CD2-CE2 4.12Å
453N90Very high88.2Confident96 Ų9656.5 Ų56.551%0.51329%0.288SS..EExtended strand (participates in β ladder)trans-154.797.9179.9173.929.9000107.4H451 K461 M462H451-N453 PolarHBondContact O-N 2.58Å; N453-K461 WeakPolarHBondContact OD1-CE 3.47Å; N453-M462 WeakPolarHBondContact CA-O 3.36Å
454Y90.3Very high87.9Confident31 Ų3151.5 Ų51.512%0.12227%0.269CS..EExtended strand (participates in β ladder)trans-140.3171.7178.676.7-72.9000110.8Q414 L452 N456 K461 M462Q414-Y454 HydrophobicContact CB-CD1 4.48Å; Q414-Y454 HydrophobicContact CB-CE1 4.37Å; Q414-Y454 HydrophobicContact CG-CD1 4.04Å; Q414-Y454 HydrophobicContact CG-CD2 4.15Å; Q414-Y454 HydrophobicContact CG-CE1 4.42Å; Q414-Y454 HydrophobicContact CG-CG 3.89Å; L452-Y454 HydrophobicContact CD1-CD1 4.33Å; L452-Y454 HydrophobicContact CD2-CD1 3.92Å; L452-Y454 HydrophobicContact CD2-CE1 3.66Å; L452-Y454 HydrophobicContact CG-CD1 3.85Å; L452-Y454 HydrophobicContact CG-CE1 4.14Å; Y454-N456 HydrophobicContact CE2-CB 4.17Å; Y454-K461 CarbonylContact O-C 3.19Å; Y454-K461 WeakPolarHBondContact O-CA 3.48Å; Y454-M462 HydrophobicContact CD1-CB 3.58Å; Y454-M462 HydrophobicContact CE1-CB 3.26Å; Y454-M462 HydrophobicContact CE1-CG 3.93Å; Y454-M462 HydrophobicContact CE2-CB 4.42Å; Y454-M462 HydrophobicContact CE2-CG 4.4Å; Y454-M462 HydrophobicContact CG-CB 4.29Å; Y454-M462 PolarHBondContact N-O 2.88Å; Y454-M462 PolarHBondContact O-N 2.7Å
455T89.6Confident87.1Confident89 Ų8952.4 Ų52.455%0.54628%0.281SS..EExtended strand (participates in β ladder)trans-111.5129169.8-57.10000108G459 E460T455-G459 VanDerWaalsContact CG2-C 3.42Å; T455-E460 WeakPolarHBondContact CA-O 3.46Å
456N84.8Confident86.1Confident21 Ų2161.7 Ų61.711%0.11232%0.324CS..  trans-77.1176.8178.173.3-1.2000112.2Y403 Y454 M458 G459 E460 M462Y403-N456 PolarHBondContact OH-ND2 2.8Å; Y454-N456 HydrophobicContact CE2-CB 4.17Å; N456-M458 PolarHBondContact O-N 2.94Å; N456-M458 VanDerWaalsContact O-N 3.13Å; N456-M458 WeakPolarHBondContact OD1-CA 3.42Å; N456-M458 WeakPolarHBondContact OD1-CB 3.44Å; N456-M458 PolarHBondContact OD1-N 3.41Å; N456-G459 PolarHBondContact O-N 2.86Å; N456-G459 PolarHBondContact OD1-N 3.45Å; N456-E460 PolarHBondContact N-O 2.7Å; N456-E460 PolarHBondContact ND2-OE2 3.33Å; N456-E460 WeakPolarHBondContact OD1-CA 3.49Å; N456-E460 VanDerWaalsContact OD1-CB 3.3Å; N456-E460 WeakPolarHBondContact OD1-CB 3.41Å; N456-E460 PolarHBondContact OD1-N 2.93Å; N456-E460 PolarHBondContact OD1-O 3.26Å; N456-M462 HydrophobicContact CB-CG 4.26Å; N456-M462 WeakPolarHBondContact ND2-CE 3.26Å
457S78.6Confident85.1Confident99 Ų9965.9 Ų65.969%0.69235%0.347SS*.THydrogen-bonded Turntrans-56.6-23.6175.345.40000114.1
458M80.3Confident84.2Confident78 Ų7862.5 Ų62.538%0.38433%0.333SS..THydrogen-bonded Turntrans-89.24.2178.2-62-56.5-59.500113.9L326 Y403 N456 E460L326-M458 HydrophobicContact CB-CE 4.12Å; L326-M458 HydrophobicContact CB-SD 4.18Å; L326-M458 HydrophobicContact CD1-CE 4.11Å; L326-M458 HydrophobicContact CG-CE 4.24Å; Y403-M458 HydrophobicContact CE2-CG 4.4Å; Y403-M458 WeakPolarHBondContact OH-CG 2.99Å; N456-M458 PolarHBondContact O-N 2.94Å; N456-M458 VanDerWaalsContact O-N 3.13Å; N456-M458 WeakPolarHBondContact OD1-CA 3.42Å; N456-M458 WeakPolarHBondContact OD1-CB 3.44Å; N456-M458 PolarHBondContact OD1-N 3.41Å; M458-E460 VanDerWaalsContact C-N 3.31Å; M458-E460 HydrophobicContact CB-CG 3.97Å
459G80.8Confident83.4Confident60 Ų6062.7 Ų62.762%0.61933%0.334SS*.SBendtrans78.811.2-178.900000114.4T455 N456T455-G459 VanDerWaalsContact CG2-C 3.42Å; N456-G459 PolarHBondContact O-N 2.86Å; N456-G459 PolarHBondContact OD1-N 3.45Å
460E81.9Confident82.7Confident26 Ų2663.4 Ų63.412%0.12134%0.338CS..  trans-91.3131.3-176.3-49.3176.4138.600110.5R323 Y403 T455 N456 M458 M462R323-E460 IonicContact CZ-OE1 3.99Å; R323-E460 IonicContact NE-OE1 2.72Å; R323-E460 PolarHBondContact NE-OE1 2.7Å; R323-E460 IonicContact NH2-OE1 2.75Å; R323-E460 PolarHBondContact NH2-OE1 3.12Å; Y403-E460 PolarHBondContact OH-OE2 2.95Å; T455-E460 WeakPolarHBondContact CA-O 3.46Å; N456-E460 PolarHBondContact N-O 2.7Å; N456-E460 PolarHBondContact ND2-OE2 3.33Å; N456-E460 WeakPolarHBondContact OD1-CA 3.49Å; N456-E460 VanDerWaalsContact OD1-CB 3.3Å; N456-E460 WeakPolarHBondContact OD1-CB 3.41Å; N456-E460 PolarHBondContact OD1-N 2.93Å; N456-E460 PolarHBondContact OD1-O 3.26Å; M458-E460 VanDerWaalsContact C-N 3.31Å; M458-E460 HydrophobicContact CB-CG 3.97Å; E460-M462 HydrophobicContact CB-CE 4.19Å; E460-M462 PolarHBondContact O-N 3.4Å
461K84.9Confident81.7Confident142 Ų14260.7 Ų60.762%0.61733%0.333SS*.EExtended strand (participates in β ladder)trans-79.2107179-171.5-176.6179.1-172.20110.5N453 Y454N453-K461 WeakPolarHBondContact OD1-CE 3.47Å; Y454-K461 CarbonylContact O-C 3.19Å; Y454-K461 WeakPolarHBondContact O-CA 3.48Å
462M86.6Confident80.8Confident12 Ų1256.5 Ų56.56%0.05932%0.318CS..EExtended strand (participates in β ladder)trans-89112.9178.1-67.6-61.5173.800110.3V407 N453 Y454 N456 E460 L470V407-M462 HydrophobicContact CG1-CE 3.62Å; V407-M462 HydrophobicContact CG1-SD 3.76Å; V407-M462 HydrophobicContact CG2-CE 4.01Å; N453-M462 WeakPolarHBondContact CA-O 3.36Å; Y454-M462 HydrophobicContact CD1-CB 3.58Å; Y454-M462 HydrophobicContact CE1-CB 3.26Å; Y454-M462 HydrophobicContact CE1-CG 3.93Å; Y454-M462 HydrophobicContact CE2-CB 4.42Å; Y454-M462 HydrophobicContact CE2-CG 4.4Å; Y454-M462 HydrophobicContact CG-CB 4.29Å; Y454-M462 PolarHBondContact N-O 2.88Å; Y454-M462 PolarHBondContact O-N 2.7Å; N456-M462 HydrophobicContact CB-CG 4.26Å; N456-M462 WeakPolarHBondContact ND2-CE 3.26Å; E460-M462 HydrophobicContact CB-CE 4.19Å; E460-M462 PolarHBondContact O-N 3.4Å; M462-L470 HydrophobicContact CE-CD2 4.45Å; M462-L470 HydrophobicContact SD-CD1 3.87Å; M462-L470 HydrophobicContact SD-CD2 3.65Å; M462-L470 HydrophobicContact SD-CG 4.43Å
463H87Confident80.4Confident84 Ų8459.1 Ų59.139%0.38933%0.332SS..EExtended strand (participates in β ladder)trans-153.3127.5178.7173.556000110.1L452L452-H463 WeakPolarHBondContact O-CA 3.3Å; L452-H463 PolarHBondContact O-ND1 2.76Å
464F84.8Confident80.4Confident5 Ų554.6 Ų54.62%0.02231%0.308CS..BIsolated β-bridgetrans-84126.9173.2-60.7-79.9000109.7M184 R185 L449 L452M184-F464 HydrophobicContact CB-CD1 4.47Å; M184-F464 HydrophobicContact CB-CE1 4.4Å; R185-F464 WeakPolarHBondContact O-CE1 3.31Å; L449-F464 HydrophobicContact CD2-CE2 4.3Å; L449-F464 WeakPolarHBondContact O-CD2 3.41Å; L452-F464 HydrophobicContact CB-CD2 4.39Å; L452-F464 HydrophobicContact CD2-CE2 4.12Å
465A75.5Confident80.4Confident42 Ų4254.2 Ų54.235%0.34731%0.308SS..  trans-67.8-178.6178.500000112.6N467 A468 D469A465-N467 PolarHBondContact O-N 3.33Å; A465-A468 VanDerWaalsContact O-CA 3.24Å; A465-A468 WeakPolarHBondContact O-CA 3.33Å; A465-A468 PolarHBondContact O-N 3.3Å; A465-D469 PolarHBondContact N-O 2.91Å
466E72.8Confident80.6Confident196 Ų19650 Ų5092%0.91628%0.282SS*.THydrogen-bonded Turntrans-56.6-34.7176.1-62.5-174159.500112.7A468E466-A468 PolarHBondContact O-N 2.91Å
467N72.3Confident81.1Confident96 Ų9649.1 Ų49.151%0.51328%0.278SS..THydrogen-bonded Turntrans-79.417.6171.3-67-14.3000113.4K177 A465 D469K177-N467 WeakPolarHBondContact CE-O 3.19Å; K177-N467 PolarHBondContact NZ-O 3.39Å; K177-N467 VanDerWaalsContact NZ-O 3.11Å; A465-N467 PolarHBondContact O-N 3.33Å; N467-D469 VanDerWaalsContact O-CG 3.29Å; N467-D469 PolarHBondContact O-N 2.94Å
468A72.3Confident81.9Confident4 Ų444.4 Ų44.43%0.03325%0.245CC..SBendtrans46.731.3-179.200000116M184 R185 A465 E466M184-A468 WeakPolarHBondContact CA-O 3.49Å; M184-A468 HydrophobicContact CB-CB 4.32Å; M184-A468 WeakPolarHBondContact CB-O 3.43Å; M184-A468 HydrophobicContact CG-CB 3.69Å; M184-A468 HydrophobicContact SD-CB 4.3Å; R185-A468 PolarHBondContact N-O 3.11Å; A465-A468 VanDerWaalsContact O-CA 3.24Å; A465-A468 WeakPolarHBondContact O-CA 3.33Å; A465-A468 PolarHBondContact O-N 3.3Å; E466-A468 PolarHBondContact O-N 2.91Å
469D76.2Confident82.5Confident13 Ų1340.7 Ų40.77%0.0723%0.227CC..BIsolated β-bridgetrans-108.2142.2-179-69.7-21.1000110.1R185 A465 N467R185-D469 WeakPolarHBondContact CG-OD1 3.49Å; R185-D469 IonicContact CZ-OD1 3.71Å; R185-D469 IonicContact CZ-OD2 2.69Å; R185-D469 VanDerWaalsContact NE-CG 3.27Å; R185-D469 IonicContact NE-OD1 2.63Å; R185-D469 PolarHBondContact NE-OD1 3.43Å; R185-D469 IonicContact NE-OD2 2.69Å; R185-D469 IonicContact NH2-OD1 3.68Å; R185-D469 PolarHBondContact NH2-OD1 3.39Å; R185-D469 IonicContact NH2-OD2 2.78Å; R185-D469 PolarHBondContact NH2-OD2 3.18Å; A465-D469 PolarHBondContact N-O 2.91Å; N467-D469 VanDerWaalsContact O-CG 3.29Å; N467-D469 PolarHBondContact O-N 2.94Å
470L76.6Confident83.1Confident16 Ų1638.4 Ų38.48%0.08420%0.2CC..BIsolated β-bridgetrans-84.7118.3170.8-17468.9000109.9R185 I187 M462 A472R185-L470 WeakPolarHBondContact O-CB 3.26Å; R185-L470 PolarHBondContact O-N 2.85Å; I187-L470 CarbonylContact C-O 3.54Å; M462-L470 HydrophobicContact CE-CD2 4.45Å; M462-L470 HydrophobicContact SD-CD1 3.87Å; M462-L470 HydrophobicContact SD-CD2 3.65Å; M462-L470 HydrophobicContact SD-CG 4.43Å; L470-A472 PolarHBondContact O-N 2.94Å
471V69.7Low83.5Confident55 Ų5540.7 Ų40.733%0.33321%0.207SC..  trans-84.5114.4-179.8-171.10000110.1I498V471-I498 HydrophobicContact CG1-CB 4.49Å; V471-I498 HydrophobicContact CG1-CD1 4.25Å; V471-I498 HydrophobicContact CG1-CG2 4.25Å
472A71.4Confident83.7Confident22 Ų2234.7 Ų34.718%0.18218%0.183CC..  trans-137145.8176.200000111.5L470 I498L470-A472 PolarHBondContact O-N 2.94Å; A472-I498 WeakPolarHBondContact O-CD1 3.46Å
473N82.7Confident83.5Confident54 Ų5440.8 Ų40.829%0.28922%0.221SC..PPolyproline II helixtrans-73.6146178-70.3-16.6000111.7Y496 N497 I498N473-Y496 VanDerWaalsContact CB-O 3.31Å; N473-Y496 WeakPolarHBondContact CB-O 3.44Å; N473-N497 PolarHBondContact ND2-OD1 2.77Å; N473-N497 WeakPolarHBondContact OD1-CA 3.18Å; N473-N497 PolarHBondContact OD1-OD1 2.82Å; N473-I498 PolarHBondContact OD1-N 2.87Å; N473-I498 VanDerWaalsContact OD1-N 3.11Å
474Y88.5Confident83.4Confident2 Ų245.6 Ų45.61%0.00824%0.244CC..EExtended strand (participates in β ladder)trans-84.5142.8171.6-68.1-85.9000111.1P188 Q193 F320 L322 Y495 Y496P188-Y474 HydrophobicContact CB-CE2 4.09Å; P188-Y474 HydrophobicContact CG-CE1 3.93Å; P188-Y474 HydrophobicContact CG-CE2 3.83Å; Q193-Y474 HydrophobicContact CB-CE2 4.12Å; F320-Y474 HydrophobicContact CB-CD1 4.26Å; F320-Y474 HydrophobicContact CD1-CD1 4.19Å; F320-Y474 HydrophobicContact CD1-CD2 4.48Å; F320-Y474 AromaticContact CD1-CG 3.99Å; F320-Y474 HydrophobicContact CD1-CG 3.99Å; L322-Y474 HydrophobicContact CD2-CE1 4.07Å; Y474-Y495 WeakPolarHBondContact O-CA 3.11Å; Y474-Y496 PolarHBondContact N-O 3.11Å; Y474-Y496 PolarHBondContact O-N 3.17Å
475T90.9Very high83.3Confident23 Ų2350.7 Ų50.714%0.14127%0.271CS..EExtended strand (participates in β ladder)trans-87.1144.3160.5-56.10000108.8A321 I477 E492A321-T475 PolarHBondContact N-O 2.03Å; A321-T475 PolarHBondContact O-N 3.08Å; T475-I477 HydrophobicContact CG2-CG2 4.28Å; T475-E492 HydrophobicContact CG2-CB 4.07Å; T475-E492 HydrophobicContact CG2-CG 3.79Å; T475-E492 WeakPolarHBondContact CG2-OE1 3.08Å
476I94.4Very high83.6Confident0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-103.5122.3171.5-55.7169000108.1I200 I318 V493 G494 L506 I508I200-I476 HydrophobicContact CD1-CD1 4.06Å; I318-I476 HydrophobicContact CG2-CG2 3.67Å; I476-V493 HydrophobicContact CB-CG2 4.43Å; I476-V493 HydrophobicContact CG2-CG2 3.9Å; I476-V493 WeakPolarHBondContact O-CG2 3.48Å; I476-V493 PolarHBondContact O-N 3.33Å; I476-G494 PolarHBondContact N-O 2.97Å; I476-G494 PolarHBondContact O-N 3.36Å; I476-L506 HydrophobicContact CD1-CD1 3.38Å; I476-I508 HydrophobicContact CD1-CD1 4.23Å; I476-I508 HydrophobicContact CD1-CG1 3.98Å
477I94.3Very high84.3Confident2 Ų242.1 Ų42.11%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-111.3153.3179.951.4167.5000111.1A300 I318 G319 A321 T475 F490 K491 E492A300-I477 HydrophobicContact CB-CD1 4.45Å; A300-I477 WeakPolarHBondContact O-CD1 3.45Å; I318-I477 CarbonylContact C-O 3.5Å; I318-I477 WeakPolarHBondContact CA-O 3.43Å; G319-I477 PolarHBondContact N-O 3.32Å; G319-I477 WeakPolarHBondContact O-CG1 3.4Å; G319-I477 PolarHBondContact O-N 2.91Å; A321-I477 HydrophobicContact CB-CD1 4.01Å; A321-I477 HydrophobicContact CB-CG1 4.06Å; A321-I477 HydrophobicContact CB-CG2 4.09Å; T475-I477 HydrophobicContact CG2-CG2 4.28Å; I477-F490 HydrophobicContact CB-CB 4.46Å; I477-F490 HydrophobicContact CD1-CB 4.09Å; I477-F490 HydrophobicContact CD1-CD1 3.87Å; I477-F490 HydrophobicContact CD1-CG 4.35Å; I477-F490 HydrophobicContact CG2-CB 4.48Å; I477-K491 CarbonylContact C-O 3.43Å; I477-K491 VanDerWaalsContact CA-O 3.28Å; I477-K491 WeakPolarHBondContact CA-O 3.01Å; I477-E492 HydrophobicContact CG2-CG 4.12Å
478N95.6Very high85Confident0 Ų038.6 Ų38.60%022%0.216CC..EExtended strand (participates in β ladder)trans-125.1131.7172.5177.7-120.3000109.6G316 T317 Q480 K491 V493 L514G316-N478 VanDerWaalsContact C-ND2 3.34Å; G316-N478 PolarHBondContact O-ND2 2.03Å; T317-N478 VanDerWaalsContact O-CA 3.29Å; T317-N478 WeakPolarHBondContact O-CA 3.45Å; T317-N478 PolarHBondContact O-ND2 3.09Å; N478-Q480 PolarHBondContact OD1-NE2 2.89Å; N478-K491 PolarHBondContact N-O 2.84Å; N478-K491 PolarHBondContact O-N 2.95Å; N478-V493 HydrophobicContact CB-CB 4.46Å; N478-V493 HydrophobicContact CB-CG1 3.57Å; N478-V493 HydrophobicContact CB-CG2 4.03Å; N478-L514 PolarHBondContact ND2-O 2.71Å; N478-L514 PolarHBondContact OD1-N 3.34Å; N478-L514 PolarHBondContact OD1-O 3.22Å
479W93.8Very high85.9Confident1 Ų142.1 Ų42.10%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-79.1118-177.8-72.838.5000110.4W299 A300 I305 A306 V314 G316 T317 V488 F490W299-W479 HydrophobicContact CZ3-CH2 4.43Å; W299-W479 HydrophobicContact CZ3-CZ2 4.41Å; A300-W479 WeakPolarHBondContact O-CZ2 3.33Å; A300-W479 PolarHBondContact O-NE1 3.01Å; I305-W479 HydrophobicContact CB-CH2 4.07Å; I305-W479 HydrophobicContact CG2-CH2 3.88Å; I305-W479 HydrophobicContact CG2-CZ3 4.24Å; A306-W479 HydrophobicContact CB-CH2 3.78Å; A306-W479 HydrophobicContact CB-CZ2 4.42Å; A306-W479 HydrophobicContact CB-CZ3 3.98Å; V314-W479 HydrophobicContact CB-CE3 4.3Å; V314-W479 HydrophobicContact CB-CZ3 4.23Å; V314-W479 HydrophobicContact CG2-CE3 3.76Å; V314-W479 HydrophobicContact CG2-CZ3 3.51Å; G316-W479 WeakPolarHBondContact CA-O 3.46Å; G316-W479 PolarHBondContact N-O 3.29Å; T317-W479 HydrophobicContact CG2-CD2 4.4Å; T317-W479 HydrophobicContact CG2-CG 4.26Å; T317-W479 PolarHBondContact O-N 3Å; W479-V488 HydrophobicContact CD2-CG1 4.28Å; W479-V488 HydrophobicContact CE3-CG1 3.94Å; W479-V488 HydrophobicContact CZ3-CG1 4.44Å; W479-F490 AromaticContact CD1-CD1 3.9Å; W479-F490 HydrophobicContact CD2-CD1 4.5Å; W479-F490 HydrophobicContact CD2-CE1 4.17Å; W479-F490 AromaticContact CE2-CE1 3.63Å; W479-F490 HydrophobicContact CG-CD1 4.4Å; W479-F490 AromaticContact CZ2-CE1 3.87Å; W479-F490 HydrophobicContact CZ2-CE1 3.87Å; W479-F490 AromaticContact NE1-CD1 3.66Å; W479-F490 AromaticContact NE1-CE1 3.65Å
480Q92.6Very high86.5Confident12 Ų1243 Ų436%0.05624%0.236CC..EExtended strand (participates in β ladder)trans-127.2144.7-179-59.8-169.9-200110.8N478 M489 K491 K512 L514N478-Q480 PolarHBondContact OD1-NE2 2.89Å; Q480-M489 HydrophobicContact CB-CE 4.42Å; Q480-M489 PolarHBondContact N-O 2.99Å; Q480-M489 PolarHBondContact O-N 3.11Å; Q480-K491 VanDerWaalsContact CD-CD 3.45Å; Q480-K512 PolarHBondContact NE2-O 2.88Å; Q480-L514 HydrophobicContact CG-CB 4.48Å; Q480-L514 HydrophobicContact CG-CD1 4.2Å
481R90.6Very high87.3Confident74 Ų7446.3 Ų46.328%0.27925%0.249SC..EExtended strand (participates in β ladder)trans-76.1130.2171.9-169.9169.8-93.4152.1-7109.2P308 L311 D312 Y518P308-R481 PolarHBondContact O-NH2 3.31Å; P308-R481 VanDerWaalsContact O-NH2 3.11Å; L311-R481 HydrophobicContact CD1-CB 3.81Å; L311-R481 HydrophobicContact CD1-CG 3.77Å; D312-R481 IonicContact OD1-CZ 2.7Å; D312-R481 IonicContact OD1-NH1 2.81Å; D312-R481 PolarHBondContact OD1-NH1 3.49Å; D312-R481 IonicContact OD1-NH2 2.7Å; D312-R481 PolarHBondContact OD1-NH2 3.03Å; D312-R481 IonicContact OD2-CZ 2.66Å; D312-R481 IonicContact OD2-NH1 3.61Å; D312-R481 IonicContact OD2-NH2 3.13Å; D312-R481 PolarHBondContact OD2-NH2 3.49Å; R481-Y518 HydrophobicContact CB-CE1 3.89Å; R481-Y518 WeakPolarHBondContact CB-OH 3.49Å; R481-Y518 WeakPolarHBondContact CD-OH 3.35Å; R481-Y518 PolarHBondContact NH1-OH 2.71Å
482S88.7Confident88.4Confident16 Ų1648.7 Ų48.711%0.11226%0.257CS..  trans-64.5144.3172.7171.30000111.6E484 D485 G486 S487S482-E484 PolarHBondContact OG-N 2.76Å; S482-D485 WeakPolarHBondContact CB-OD1 3.03Å; S482-D485 PolarHBondContact OG-OD1 3.24Å; S482-G486 WeakPolarHBondContact O-CA 3.01Å; S482-G486 PolarHBondContact O-N 2.81Å; S482-S487 PolarHBondContact N-O 3.29Å
483T83.6Confident89.5Confident140 Ų14048 Ų4886%0.85925%0.25SS*.SBendtrans-86.3-10176.948.60000113.8
484E83.3Confident90Very high185 Ų18546.1 Ų46.186%0.86424%0.244SC*.SBendtrans-97.8-43.1-174.1-60.9-174.7-179.500112.2S482S482-E484 PolarHBondContact OG-N 2.76Å
485D83.3Confident90.1Very high112 Ų11252 Ų5260%0.59927%0.267SS*.SBendtrans-131.4-9-171.964.6-21.4000113.5S482 S487S482-D485 WeakPolarHBondContact CB-OD1 3.03Å; S482-D485 PolarHBondContact OG-OD1 3.24Å; D485-S487 VanDerWaalsContact C-N 3.33Å; D485-S487 PolarHBondContact OD1-N 2.87Å; D485-S487 PolarHBondContact OD1-OG 2.99Å; D485-S487 WeakPolarHBondContact OD2-CB 3.45Å; D485-S487 PolarHBondContact OD2-OG 3.08Å
486G83Confident90.1Very high21 Ų2150.9 Ų50.922%0.21626%0.26CS..  trans78.29-177.100000115.4S482S482-G486 WeakPolarHBondContact O-CA 3.01Å; S482-G486 PolarHBondContact O-N 2.81Å
487S85.8Confident89.8Confident37 Ų3753.1 Ų53.126%0.25927%0.272SS..  trans-70.7172.3-18064.80000114.3S482 D485S482-S487 PolarHBondContact N-O 3.29Å; D485-S487 VanDerWaalsContact C-N 3.33Å; D485-S487 PolarHBondContact OD1-N 2.87Å; D485-S487 PolarHBondContact OD1-OG 2.99Å; D485-S487 WeakPolarHBondContact OD2-CB 3.45Å; D485-S487 PolarHBondContact OD2-OG 3.08Å
488V88.8Confident89.2Confident22 Ų2253.7 Ų53.713%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-85.7114177.9-173.70000110.3A306 L311 W479 F490A306-V488 VanDerWaalsContact C-CG2 3.49Å; A306-V488 HydrophobicContact CB-CB 4.37Å; A306-V488 HydrophobicContact CB-CG1 4.11Å; A306-V488 HydrophobicContact CB-CG2 4.38Å; L311-V488 HydrophobicContact CD1-CG2 3.92Å; L311-V488 HydrophobicContact CD2-CB 4.48Å; L311-V488 HydrophobicContact CD2-CG1 4.18Å; L311-V488 HydrophobicContact CD2-CG2 3.92Å; L311-V488 HydrophobicContact CG-CG2 3.81Å; W479-V488 HydrophobicContact CD2-CG1 4.28Å; W479-V488 HydrophobicContact CE3-CG1 3.94Å; W479-V488 HydrophobicContact CZ3-CG1 4.44Å; V488-F490 HydrophobicContact CG1-CE1 4.19Å; V488-F490 HydrophobicContact CG1-CE2 4.48Å; V488-F490 HydrophobicContact CG1-CZ 4.15Å
489M89.3Confident88.4Confident77 Ų7760.4 Ų60.438%0.37931%0.306SS..EExtended strand (participates in β ladder)trans-100.9130172.6-57.8-169.3-56.400111.2Q480 K491Q480-M489 HydrophobicContact CB-CE 4.42Å; Q480-M489 PolarHBondContact N-O 2.99Å; Q480-M489 PolarHBondContact O-N 3.11Å; M489-K491 PolarHBondContact O-N 3.29Å
490F90.6Very high87.7Confident33 Ų3361.5 Ų61.515%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-96.686.1174.5-52.9-84.7000110.1A300 A306 H398 I477 W479 V488A300-F490 WeakPolarHBondContact O-CE1 3.33Å; A306-F490 HydrophobicContact CB-CE1 4.12Å; A306-F490 HydrophobicContact CB-CE2 4.49Å; A306-F490 HydrophobicContact CB-CZ 3.52Å; H398-F490 AromaticContact CD2-CD2 3.34Å; H398-F490 WeakPolarHBondContact CD2-CD2 3.08Å; H398-F490 AromaticContact CD2-CE2 3.94Å; H398-F490 AromaticContact NE2-CD2 3.45Å; H398-F490 WeakPolarHBondContact NE2-CD2 3.42Å; I477-F490 HydrophobicContact CB-CB 4.46Å; I477-F490 HydrophobicContact CD1-CB 4.09Å; I477-F490 HydrophobicContact CD1-CD1 3.87Å; I477-F490 HydrophobicContact CD1-CG 4.35Å; I477-F490 HydrophobicContact CG2-CB 4.48Å; W479-F490 AromaticContact CD1-CD1 3.9Å; W479-F490 HydrophobicContact CD2-CD1 4.5Å; W479-F490 HydrophobicContact CD2-CE1 4.17Å; W479-F490 AromaticContact CE2-CE1 3.63Å; W479-F490 HydrophobicContact CG-CD1 4.4Å; W479-F490 AromaticContact CZ2-CE1 3.87Å; W479-F490 HydrophobicContact CZ2-CE1 3.87Å; W479-F490 AromaticContact NE1-CD1 3.66Å; W479-F490 AromaticContact NE1-CE1 3.65Å; V488-F490 HydrophobicContact CG1-CE1 4.19Å; V488-F490 HydrophobicContact CG1-CE2 4.48Å; V488-F490 HydrophobicContact CG1-CZ 4.15Å
491K91.6Very high86.8Confident85 Ų8570.1 Ų70.137%0.3735%0.353SS..EExtended strand (participates in β ladder)trans-81128.4-174.6-169.6178.9-172.3-178.20110.9I477 N478 Q480 M489 V493I477-K491 CarbonylContact C-O 3.43Å; I477-K491 VanDerWaalsContact CA-O 3.28Å; I477-K491 WeakPolarHBondContact CA-O 3.01Å; N478-K491 PolarHBondContact N-O 2.84Å; N478-K491 PolarHBondContact O-N 2.95Å; Q480-K491 VanDerWaalsContact CD-CD 3.45Å; M489-K491 PolarHBondContact O-N 3.29Å; K491-V493 PolarHBondContact O-N 3.19Å
492E92.9Very high85.5Confident105 Ų10576.8 Ų76.849%0.49138%0.378SS..EExtended strand (participates in β ladder)trans-73.8120.3177.1-54.9-163.6153.900110.3R400 T475 I477R400-E492 IonicContact CZ-OE1 2.65Å; R400-E492 IonicContact NH1-OE1 3.43Å; R400-E492 IonicContact NH2-OE1 3.86Å; R400-E492 PolarHBondContact NH2-OE1 3.1Å; T475-E492 HydrophobicContact CG2-CB 4.07Å; T475-E492 HydrophobicContact CG2-CG 3.79Å; T475-E492 WeakPolarHBondContact CG2-OE1 3.08Å; I477-E492 HydrophobicContact CG2-CG 4.12Å
493V94.8Very high84.2Confident6 Ų680.2 Ų80.24%0.03642%0.416CS..EExtended strand (participates in β ladder)trans-117.4-10.8-175.9-620000113.4I476 N478 K491 D509 K512 I513I476-V493 HydrophobicContact CB-CG2 4.43Å; I476-V493 HydrophobicContact CG2-CG2 3.9Å; I476-V493 WeakPolarHBondContact O-CG2 3.48Å; I476-V493 PolarHBondContact O-N 3.33Å; N478-V493 HydrophobicContact CB-CB 4.46Å; N478-V493 HydrophobicContact CB-CG1 3.57Å; N478-V493 HydrophobicContact CB-CG2 4.03Å; K491-V493 PolarHBondContact O-N 3.19Å; V493-D509 PolarHBondContact O-N 3.46Å; V493-K512 HydrophobicContact CB-CB 4.4Å; V493-K512 HydrophobicContact CG1-CB 3.82Å; V493-I513 HydrophobicContact CB-CG1 3.88Å; V493-I513 HydrophobicContact CG1-CG1 3.94Å; V493-I513 HydrophobicContact CG2-CD1 4.33Å; V493-I513 HydrophobicContact CG2-CG1 3.97Å
494G93.1Very high83.5Confident16 Ų1675.8 Ų75.817%0.16540%0.398CS..EExtended strand (participates in β ladder)trans-175.4-175-177.800000114.1I476 S507I476-G494 PolarHBondContact N-O 2.97Å; I476-G494 PolarHBondContact O-N 3.36Å; G494-S507 CarbonylContact C-O 3.46Å; G494-S507 WeakPolarHBondContact CA-O 3.03Å
495Y91.8Very high83.6Confident124 Ų12469.2 Ų69.249%0.48637%0.367SS..EExtended strand (participates in β ladder)trans-148.8158.1173.862.1-95.6000111.3Y474 N497 S507Y474-Y495 WeakPolarHBondContact O-CA 3.11Å; Y495-N497 HydrophobicContact CD2-CB 4.4Å; Y495-N497 HydrophobicContact CE2-CB 4.39Å; Y495-S507 VanDerWaalsContact CZ-CB 3.46Å; Y495-S507 PolarHBondContact N-O 2.83Å; Y495-S507 PolarHBondContact O-N 3.45Å
496Y90.1Very high84Confident1 Ų165.6 Ų65.60%0.00435%0.347CS..EExtended strand (participates in β ladder)trans-119.6115.9172.3-164.1-95.6000110.8A196 D199 N473 Y474 I498 K505 L506A196-Y496 HydrophobicContact CB-CD1 3.76Å; A196-Y496 HydrophobicContact CB-CD2 3.53Å; A196-Y496 HydrophobicContact CB-CE1 3.75Å; A196-Y496 HydrophobicContact CB-CE2 3.52Å; A196-Y496 HydrophobicContact CB-CG 3.64Å; D199-Y496 HydrophobicContact CB-CE2 4.21Å; D199-Y496 VanDerWaalsContact OD2-CE2 3.25Å; D199-Y496 WeakPolarHBondContact OD2-CE2 3.34Å; D199-Y496 PolarHBondContact OD2-OH 2.88Å; N473-Y496 VanDerWaalsContact CB-O 3.31Å; N473-Y496 WeakPolarHBondContact CB-O 3.44Å; Y474-Y496 PolarHBondContact N-O 3.11Å; Y474-Y496 PolarHBondContact O-N 3.17Å; Y496-I498 HydrophobicContact CD1-CG1 4.42Å; Y496-K505 WeakPolarHBondContact CA-O 3.39Å; Y496-K505 HydrophobicContact CD2-CB 4.32Å; Y496-K505 HydrophobicContact CE1-CB 4.25Å; Y496-K505 HydrophobicContact CE1-CD 4.02Å; Y496-K505 HydrophobicContact CE2-CB 3.75Å; Y496-K505 HydrophobicContact CE2-CD 4.49Å; Y496-K505 WeakPolarHBondContact OH-CD 3.33Å; Y496-L506 HydrophobicContact CD2-CB 4.06Å; Y496-L506 HydrophobicContact CD2-CD1 3.99Å; Y496-L506 HydrophobicContact CE2-CB 4.18Å
497N87.5Confident84.4Confident47 Ų4766.9 Ų66.925%0.25135%0.353SS..  trans-97.2106.3-178.4-175.7-4000111.2N473 Y495 H499 A500 K505N473-N497 PolarHBondContact ND2-OD1 2.77Å; N473-N497 WeakPolarHBondContact OD1-CA 3.18Å; N473-N497 PolarHBondContact OD1-OD1 2.82Å; Y495-N497 HydrophobicContact CD2-CB 4.4Å; Y495-N497 HydrophobicContact CE2-CB 4.39Å; N497-H499 PolarHBondContact O-N 2.98Å; N497-H499 PolarHBondContact OD1-N 3.1Å; N497-A500 HydrophobicContact CB-CB 4.2Å; N497-A500 PolarHBondContact O-N 3.37Å; N497-K505 PolarHBondContact N-O 3.21Å; N497-K505 WeakPolarHBondContact O-CG 3.48Å
498I82.8Confident84.8Confident14 Ų1466 Ų667%0.07235%0.345CS..THydrogen-bonded Turntrans-62.6-33.1-174.8-61.3175.2000111.6P188 Y192 V471 A472 N473 Y496P188-I498 HydrophobicContact CB-CD1 4.24Å; Y192-I498 HydrophobicContact CD1-CG2 3.74Å; Y192-I498 HydrophobicContact CD2-CD1 3.78Å; Y192-I498 HydrophobicContact CD2-CG1 4.49Å; Y192-I498 HydrophobicContact CD2-CG2 4.06Å; Y192-I498 HydrophobicContact CE1-CG2 3.68Å; Y192-I498 HydrophobicContact CE2-CD1 4.42Å; Y192-I498 HydrophobicContact CE2-CG2 3.99Å; Y192-I498 HydrophobicContact CG-CD1 3.99Å; Y192-I498 HydrophobicContact CG-CG1 4.25Å; Y192-I498 HydrophobicContact CG-CG2 3.93Å; V471-I498 HydrophobicContact CG1-CB 4.49Å; V471-I498 HydrophobicContact CG1-CD1 4.25Å; V471-I498 HydrophobicContact CG1-CG2 4.25Å; A472-I498 WeakPolarHBondContact O-CD1 3.46Å; N473-I498 PolarHBondContact OD1-N 2.87Å; N473-I498 VanDerWaalsContact OD1-N 3.11Å; Y496-I498 HydrophobicContact CD1-CG1 4.42Å
499H78.1Confident85Confident140 Ų14067.2 Ų67.265%0.64835%0.351SS*.THydrogen-bonded Turntrans-84.5-7.5-174.9-59.3-69.5000114.7N497N497-H499 PolarHBondContact O-N 2.98Å; N497-H499 PolarHBondContact OD1-N 3.1Å
500A79.3Confident85Confident25 Ų2568.2 Ų68.221%0.20735%0.353CS..SBendtrans-78.2155.8-178.500000112.5N497 G504 K505N497-A500 HydrophobicContact CB-CB 4.2Å; N497-A500 PolarHBondContact O-N 3.37Å; A500-G504 WeakPolarHBondContact CB-O 3.45Å; A500-K505 HydrophobicContact CB-CG 4.1Å; A500-K505 WeakPolarHBondContact O-CE 3.49Å; A500-K505 WeakPolarHBondContact O-CG 3.38Å
501K74.3Confident85Confident192 Ų19272.7 Ų72.784%0.83538%0.383SS*.PPolyproline II helixtrans-68.4156.8173.9-66.2-175.3177.7-177.90110.7G503 G504K501-G503 PolarHBondContact O-N 2.98Å; K501-G504 WeakPolarHBondContact O-CA 3.36Å; K501-G504 PolarHBondContact O-N 3.39Å
502R62.9Low85Confident215 Ų21573 Ų7381%0.81138%0.384SS*.THydrogen-bonded Turntrans-51.6133.1176.6-162.1173.4-173.4166.82.9109.8
503G61.9Low85.1Confident88 Ų8868.1 Ų68.191%0.90736%0.362SS*.THydrogen-bonded Turntrans86.4-10.6-170.900000116K501K501-G503 PolarHBondContact O-N 2.98Å
504G69.1Low85Confident47 Ų4770.1 Ų70.149%0.48537%0.372SS..SBendtrans-120.28.4177.200000115.1A500 K501A500-G504 WeakPolarHBondContact CB-O 3.45Å; K501-G504 WeakPolarHBondContact O-CA 3.36Å; K501-G504 PolarHBondContact O-N 3.39Å
505K84.5Confident85Confident47 Ų4769.8 Ų69.820%0.20437%0.366CS..SBendtrans-80.6-49-178.7-66.9-168.9172.3-176.10113.2Y496 N497 A500Y496-K505 WeakPolarHBondContact CA-O 3.39Å; Y496-K505 HydrophobicContact CD2-CB 4.32Å; Y496-K505 HydrophobicContact CE1-CB 4.25Å; Y496-K505 HydrophobicContact CE1-CD 4.02Å; Y496-K505 HydrophobicContact CE2-CB 3.75Å; Y496-K505 HydrophobicContact CE2-CD 4.49Å; Y496-K505 WeakPolarHBondContact OH-CD 3.33Å; N497-K505 PolarHBondContact N-O 3.21Å; N497-K505 WeakPolarHBondContact O-CG 3.48Å; A500-K505 HydrophobicContact CB-CG 4.1Å; A500-K505 WeakPolarHBondContact O-CE 3.49Å; A500-K505 WeakPolarHBondContact O-CG 3.38Å
506L91.5Very high84.6Confident36 Ų3665 Ų6519%0.18835%0.348CS..EExtended strand (participates in β ladder)trans-86.7132.6-178.2-177.163.5000110.5D199 I200 Y203 I476 Y496 I508D199-L506 HydrophobicContact CB-CD2 4.35Å; D199-L506 WeakPolarHBondContact O-CD2 3.39Å; I200-L506 HydrophobicContact CD1-CD1 4.3Å; I200-L506 HydrophobicContact CG1-CD1 3.78Å; I200-L506 HydrophobicContact CG1-CD2 3.85Å; Y203-L506 HydrophobicContact CD1-CD2 4.48Å; Y203-L506 HydrophobicContact CD2-CD2 4.47Å; Y203-L506 HydrophobicContact CG-CD2 4.04Å; I476-L506 HydrophobicContact CD1-CD1 3.38Å; Y496-L506 HydrophobicContact CD2-CB 4.06Å; Y496-L506 HydrophobicContact CD2-CD1 3.99Å; Y496-L506 HydrophobicContact CE2-CB 4.18Å; L506-I508 HydrophobicContact CD1-CD1 3.91Å; L506-I508 HydrophobicContact CD1-CG1 3.96Å; L506-I508 HydrophobicContact CD2-CD1 4.19Å; L506-I508 HydrophobicContact CG-CD1 4.24Å; L506-I508 HydrophobicContact CG-CG1 4.27Å
507S92.1Very high84.1Confident47 Ų4767.8 Ų67.833%0.32938%0.378SS..EExtended strand (participates in β ladder)trans-132.7119.7168.5-169.70000109.1G494 Y495G494-S507 CarbonylContact C-O 3.46Å; G494-S507 WeakPolarHBondContact CA-O 3.03Å; Y495-S507 VanDerWaalsContact CZ-CB 3.46Å; Y495-S507 PolarHBondContact N-O 2.83Å; Y495-S507 PolarHBondContact O-N 3.45Å
508I93.1Very high83.8Confident18 Ų1870.3 Ų70.39%0.09239%0.385CS..EExtended strand (participates in β ladder)trans-130.5134.3-179.9-75179.1000109.4I200 Y203 F204 I476 L506 K510 I513I200-I508 HydrophobicContact CD1-CD1 4.41Å; I200-I508 HydrophobicContact CG1-CD1 4.05Å; Y203-I508 HydrophobicContact CD1-CD1 4.21Å; Y203-I508 HydrophobicContact CE1-CB 3.88Å; Y203-I508 HydrophobicContact CE1-CD1 4.3Å; Y203-I508 HydrophobicContact CE1-CG2 3.93Å; F204-I508 HydrophobicContact CE2-CD1 4.05Å; F204-I508 HydrophobicContact CZ-CD1 4.36Å; F204-I508 HydrophobicContact CZ-CG2 4.19Å; I476-I508 HydrophobicContact CD1-CD1 4.23Å; I476-I508 HydrophobicContact CD1-CG1 3.98Å; L506-I508 HydrophobicContact CD1-CD1 3.91Å; L506-I508 HydrophobicContact CD1-CG1 3.96Å; L506-I508 HydrophobicContact CD2-CD1 4.19Å; L506-I508 HydrophobicContact CG-CD1 4.24Å; L506-I508 HydrophobicContact CG-CG1 4.27Å; I508-K510 HydrophobicContact CG2-CG 4.35Å; I508-I513 HydrophobicContact CG2-CD1 3.61Å
509D93.2Very high83.9Confident49 Ų4971.8 Ų71.826%0.26240%0.396SS..  trans-95.495.9168.4-173.4-15.2000110.1V493 T511 K512V493-D509 PolarHBondContact O-N 3.46Å; D509-T511 PolarHBondContact O-N 2.79Å; D509-T511 VanDerWaalsContact O-N 3.07Å; D509-T511 WeakPolarHBondContact OD1-CB 3.49Å; D509-T511 PolarHBondContact OD1-N 3.27Å; D509-T511 PolarHBondContact OD1-OG1 3.07Å; D509-K512 HydrophobicContact CB-CD 4.29Å; D509-K512 HydrophobicContact CB-CG 4.34Å; D509-K512 PolarHBondContact O-N 2.69Å; D509-K512 VanDerWaalsContact O-N 3.1Å; D509-K512 WeakPolarHBondContact OD2-CE 3.44Å; D509-K512 IonicContact OD2-NZ 2.88Å; D509-K512 PolarHBondContact OD2-NZ 2.74Å
510K89.6Confident84.3Confident97 Ų9769.6 Ų69.642%0.42240%0.397SS..THydrogen-bonded Turntrans-56.4-23.4178.8-66.5-167178-170.50113Y203 F204 I508 K512Y203-K510 HydrophobicContact CE1-CD 4.29Å; Y203-K510 HydrophobicContact CE1-CG 4.17Å; Y203-K510 VanDerWaalsContact CZ-CE 3.41Å; Y203-K510 WeakPolarHBondContact OH-CE 3.37Å; F204-K510 HydrophobicContact CE1-CD 4.15Å; F204-K510 HydrophobicContact CE1-CG 4.21Å; I508-K510 HydrophobicContact CG2-CG 4.35Å; K510-K512 VanDerWaalsContact C-N 3.29Å; K510-K512 PolarHBondContact O-N 3.47Å
511T90.4Very high84.8Confident127 Ų12775.9 Ų75.978%0.77942%0.422SS*.THydrogen-bonded Turntrans-76.3-15.1-17973.50000113.9D509D509-T511 PolarHBondContact O-N 2.79Å; D509-T511 VanDerWaalsContact O-N 3.07Å; D509-T511 WeakPolarHBondContact OD1-CB 3.49Å; D509-T511 PolarHBondContact OD1-N 3.27Å; D509-T511 PolarHBondContact OD1-OG1 3.07Å
512K92.9Very high85.6Confident91 Ų9169.7 Ų69.740%0.39640%0.399SS..THydrogen-bonded Turntrans-97.2-17.5-179.6-67.2-176178.1109.10113.8Q480 V493 D509 K510Q480-K512 PolarHBondContact NE2-O 2.88Å; V493-K512 HydrophobicContact CB-CB 4.4Å; V493-K512 HydrophobicContact CG1-CB 3.82Å; D509-K512 HydrophobicContact CB-CD 4.29Å; D509-K512 HydrophobicContact CB-CG 4.34Å; D509-K512 PolarHBondContact O-N 2.69Å; D509-K512 VanDerWaalsContact O-N 3.1Å; D509-K512 WeakPolarHBondContact OD2-CE 3.44Å; D509-K512 IonicContact OD2-NZ 2.88Å; D509-K512 PolarHBondContact OD2-NZ 2.74Å; K510-K512 VanDerWaalsContact C-N 3.29Å; K510-K512 PolarHBondContact O-N 3.47Å
513I94Very high87Confident3 Ų360.7 Ų60.72%0.01537%0.369CS..  trans-76.3134.3-179.2-65.6173.7000109.6F204 I318 V493 I508 W515F204-I513 HydrophobicContact CZ-CD1 3.85Å; I318-I513 HydrophobicContact CD1-CD1 4.24Å; V493-I513 HydrophobicContact CB-CG1 3.88Å; V493-I513 HydrophobicContact CG1-CG1 3.94Å; V493-I513 HydrophobicContact CG2-CD1 4.33Å; V493-I513 HydrophobicContact CG2-CG1 3.97Å; I508-I513 HydrophobicContact CG2-CD1 3.61Å; I513-W515 HydrophobicContact CG2-CD2 3.88Å; I513-W515 HydrophobicContact CG2-CE3 4.22Å; I513-W515 HydrophobicContact CG2-CG 4.44Å; I513-W515 HydrophobicContact CG2-CH2 4.18Å; I513-W515 HydrophobicContact CG2-CZ2 3.8Å; I513-W515 HydrophobicContact CG2-CZ3 4.36Å
514L93.1Very high88.4Confident48 Ų4862.2 Ų62.225%0.25135%0.351SS..  trans-111.5140.4159.9-63.8176.3000107.7G316 N478 Q480G316-L514 WeakPolarHBondContact CA-O 3.4Å; N478-L514 PolarHBondContact ND2-O 2.71Å; N478-L514 PolarHBondContact OD1-N 3.34Å; N478-L514 PolarHBondContact OD1-O 3.22Å; Q480-L514 HydrophobicContact CG-CB 4.48Å; Q480-L514 HydrophobicContact CG-CD1 4.2Å
515W92Very high89.6Confident9 Ų960 Ų603%0.03433%0.328CS..  trans-96.1176.3174.6-54.8103.3000110.2F204 W206 T292 I318 I513 Y518 S519 V522 P523F204-W515 HydrophobicContact CD1-CH2 4.09Å; F204-W515 HydrophobicContact CD1-CZ2 4.02Å; F204-W515 HydrophobicContact CD2-CH2 4.15Å; F204-W515 AromaticContact CE1-CH2 3.82Å; F204-W515 HydrophobicContact CE1-CH2 3.82Å; F204-W515 AromaticContact CE1-CZ2 3.59Å; F204-W515 HydrophobicContact CE1-CZ2 3.59Å; F204-W515 AromaticContact CE2-CH2 3.88Å; F204-W515 HydrophobicContact CE2-CH2 3.88Å; F204-W515 HydrophobicContact CE2-CZ2 4.46Å; F204-W515 HydrophobicContact CG-CH2 4.26Å; F204-W515 AromaticContact CZ-CH2 3.71Å; F204-W515 HydrophobicContact CZ-CH2 3.71Å; F204-W515 AromaticContact CZ-CZ2 3.85Å; F204-W515 HydrophobicContact CZ-CZ2 3.85Å; W206-W515 AromaticContact CH2-CH2 3.67Å; W206-W515 HydrophobicContact CH2-CH2 3.67Å; W206-W515 AromaticContact CH2-CZ3 3.67Å; W206-W515 HydrophobicContact CH2-CZ3 3.67Å; W206-W515 AromaticContact CZ2-CH2 3.7Å; W206-W515 HydrophobicContact CZ2-CH2 3.7Å; W206-W515 AromaticContact CZ2-CZ3 3.79Å; W206-W515 HydrophobicContact CZ2-CZ3 3.79Å; T292-W515 HydrophobicContact CG2-CE3 3.7Å; T292-W515 HydrophobicContact CG2-CZ3 3.77Å; I318-W515 HydrophobicContact CD1-CH2 3.62Å; I318-W515 HydrophobicContact CD1-CZ3 3.55Å; I318-W515 HydrophobicContact CG1-CZ3 4.26Å; I513-W515 HydrophobicContact CG2-CD2 3.88Å; I513-W515 HydrophobicContact CG2-CE3 4.22Å; I513-W515 HydrophobicContact CG2-CG 4.44Å; I513-W515 HydrophobicContact CG2-CH2 4.18Å; I513-W515 HydrophobicContact CG2-CZ2 3.8Å; I513-W515 HydrophobicContact CG2-CZ3 4.36Å; W515-Y518 WeakPolarHBondContact O-CA 3.46Å; W515-Y518 PolarHBondContact O-N 2.8Å; W515-Y518 VanDerWaalsContact O-N 3.09Å; W515-S519 PolarHBondContact N-O 3.24Å; W515-V522 HydrophobicContact CZ2-CB 4.35Å; W515-V522 HydrophobicContact CZ2-CG1 4.11Å; W515-V522 HydrophobicContact CZ2-CG2 4.01Å; W515-P523 VanDerWaalsContact CD2-CD 3.43Å; W515-P523 HydrophobicContact CD2-CG 4.28Å; W515-P523 HydrophobicContact CE3-CG 4.02Å; W515-P523 HydrophobicContact CZ3-CG 4.38Å
516N84.1Confident89.9Confident23 Ų2359 Ų5912%0.12333%0.325CS..G310 helixtrans-61.7151.5177.2-151-16.6000111.1T289 R291 D312 V313 G315 Y518T289-N516 PolarHBondContact O-ND2 2.86Å; T289-N516 PolarHBondContact O-OD1 3.21Å; R291-N516 WeakPolarHBondContact O-CB 3.16Å; R291-N516 PolarHBondContact O-ND2 3.27Å; D312-N516 PolarHBondContact O-OD1 3.08Å; V313-N516 PolarHBondContact O-ND2 3.09Å; G315-N516 WeakPolarHBondContact O-CB 3.09Å; N516-Y518 PolarHBondContact O-N 2.75Å
517G80.1Confident89.9Confident60 Ų6058.8 Ų58.862%0.61933%0.326SS*.G310 helixtrans67.113.1-166.900000114.7S519G517-S519 PolarHBondContact O-N 2.83Å
518Y80.4Confident89.8Confident101 Ų10157.3 Ų57.340%0.39632%0.316SS..G310 helixtrans63.321.7-177.7-53.4-88.9000114.7R481 W515 N516R481-Y518 HydrophobicContact CB-CE1 3.89Å; R481-Y518 WeakPolarHBondContact CB-OH 3.49Å; R481-Y518 WeakPolarHBondContact CD-OH 3.35Å; R481-Y518 PolarHBondContact NH1-OH 2.71Å; W515-Y518 WeakPolarHBondContact O-CA 3.46Å; W515-Y518 PolarHBondContact O-N 2.8Å; W515-Y518 VanDerWaalsContact O-N 3.09Å; N516-Y518 PolarHBondContact O-N 2.75Å
519S85Confident89.5Confident45 Ų4563.7 Ų63.732%0.31535%0.345SS..  trans-69.1149.8175.6-171.30000112.2W515 G517 E521W515-S519 PolarHBondContact N-O 3.24Å; G517-S519 PolarHBondContact O-N 2.83Å; S519-E521 PolarHBondContact OG-N 2.95Å
520S87.3Confident89.3Confident94 Ų9465.6 Ų65.666%0.65736%0.355SS*.SBendtrans-96.5-10.6165.7-57.50000112.7
521E89.6Confident89.3Confident157 Ų15761 Ų6173%0.73434%0.336SS*.SBendtrans-82.8135.2177.9-61.2-174.8160.200110.4S519S519-E521 PolarHBondContact OG-N 2.95Å
522V91.8Very high89.4Confident61 Ų6159.4 Ų59.437%0.3732%0.319SS..PPolyproline II helixtrans-64.1129.1-179.4-176.90000109.1F204 W206 W515 F524F204-V522 HydrophobicContact CB-CG1 4.12Å; F204-V522 HydrophobicContact CD1-CG1 3.78Å; F204-V522 HydrophobicContact CD1-CG2 3.95Å; F204-V522 HydrophobicContact CE1-CG2 4.22Å; F204-V522 HydrophobicContact CG-CG1 4.26Å; W206-V522 HydrophobicContact CZ2-CG1 3.95Å; W515-V522 HydrophobicContact CZ2-CB 4.35Å; W515-V522 HydrophobicContact CZ2-CG1 4.11Å; W515-V522 HydrophobicContact CZ2-CG2 4.01Å; V522-F524 PolarHBondContact O-N 2.92Å
523P92.1Very high89.3Confident26 Ų2657.3 Ų57.317%0.16932%0.315CS..PPolyproline II helixtrans-63.1133.517926.6-35.6000110.4W206 T292 W515 S525W206-P523 HydrophobicContact CZ2-CG 3.91Å; W206-P523 PolarHBondContact NE1-O 2.95Å; T292-P523 HydrophobicContact CG2-CG 4.33Å; W515-P523 VanDerWaalsContact CD2-CD 3.43Å; W515-P523 HydrophobicContact CD2-CG 4.28Å; W515-P523 HydrophobicContact CE3-CG 4.02Å; W515-P523 HydrophobicContact CZ3-CG 4.38Å; P523-S525 PolarHBondContact O-N 2.99Å
524F90.7Very high89.1Confident120 Ų12057.4 Ų57.453%0.52632%0.317SS..PPolyproline II helixtrans-71.5122.8170.9-174.7-94.4000109.3K265 V522 N526 E529K265-F524 VanDerWaalsContact CG-O 3.26Å; K265-F524 WeakPolarHBondContact CG-O 3.43Å; V522-F524 PolarHBondContact O-N 2.92Å; F524-N526 HydrophobicContact CE1-CB 4.01Å; F524-N526 WeakPolarHBondContact CE1-O 3.3Å; F524-N526 HydrophobicContact CE2-CB 4.04Å; F524-N526 HydrophobicContact CZ-CB 3.66Å; F524-E529 HydrophobicContact CZ-CG 4.12Å
525S93.9Very high89Confident1 Ų156.2 Ų56.21%0.00731%0.311CS..  trans-140.754.8178.5-157.50000109.8N207 W208 K265 V266 P523N207-S525 PolarHBondContact N-O 3.45Å; W208-S525 WeakPolarHBondContact CA-O 2.73Å; W208-S525 WeakPolarHBondContact CB-O 3.39Å; W208-S525 PolarHBondContact N-O 2.88Å; W208-S525 VanDerWaalsContact O-O 3.07Å; W208-S525 PolarHBondContact O-OG 3Å; K265-S525 PolarHBondContact N-OG 3.29Å; V266-S525 PolarHBondContact N-OG 2.82Å; V266-S525 VanDerWaalsContact N-OG 3.12Å; P523-S525 PolarHBondContact O-N 2.99Å
526N91.7Very high89Confident27 Ų2759.7 Ų59.714%0.14432%0.324CS..  trans-114.4151.6173.2-66.65.9000109.7Q205 W206 N207 F524 S528Q205-N526 PolarHBondContact O-ND2 2.92Å; Q205-N526 PolarHBondContact O-OD1 2.85Å; Q205-N526 VanDerWaalsContact O-OD1 3.05Å; W206-N526 VanDerWaalsContact CA-OD1 3.23Å; W206-N526 WeakPolarHBondContact CA-OD1 3.38Å; N207-N526 PolarHBondContact N-OD1 2.83Å; N207-N526 WeakPolarHBondContact OD1-CA 3.4Å; N207-N526 WeakPolarHBondContact OD1-CB 3.46Å; F524-N526 HydrophobicContact CE1-CB 4.01Å; F524-N526 WeakPolarHBondContact CE1-O 3.3Å; F524-N526 HydrophobicContact CE2-CB 4.04Å; F524-N526 HydrophobicContact CZ-CB 3.66Å; N526-S528 VanDerWaalsContact C-N 3.35Å
527C90.8Very high89.3Confident30 Ų3061.1 Ų61.120%0.20333%0.33CS..SBendtrans-72.2-33.6-176.3-165.50000112.2N207 W208 C547N207-C527 PolarHBondContact OD1-N 3.23Å; W208-C527 HydrophobicContact CB-CB 4.04Å; W208-C527 VanDerWaalsContact CB-N 3.34Å; W208-C527 HydrophobicContact CD2-CB 3.72Å; W208-C527 HydrophobicContact CE3-CB 4Å; W208-C527 HydrophobicContact CG-CB 3.8Å; C527-C547 HydrophobicContact CB-CB 3.93Å; C527-C547 WeakPolarHBondContact CB-SG 3.45Å; C527-C547 WeakPolarHBondContact SG-CB 3.46Å; C527-C547 CovalentContact SG-SG 2.03Å; C527-C547 PolarHBondContact SG-SG 3.31Å
528S89.6Confident89.7Confident17 Ų1758.5 Ų58.512%0.11930%0.302CS..SBendtrans-135.2153.8-178.1-60.10000110.1N526 F548N526-S528 VanDerWaalsContact C-N 3.35Å; S528-F548 VanDerWaalsContact CB-O 3.28Å; S528-F548 WeakPolarHBondContact CB-O 3.22Å; S528-F548 PolarHBondContact OG-N 2.88Å; S528-F548 PolarHBondContact OG-O 3.17Å
529E87.5Confident90Very high152 Ų15261 Ų6171%0.7132%0.321SS*.PPolyproline II helixtrans-79.9151.5169.8-62.8-176.6168.900111.1F524 C531 F548F524-E529 HydrophobicContact CZ-CG 4.12Å; E529-C531 PolarHBondContact O-N 3.11Å; E529-F548 WeakPolarHBondContact O-CE2 3.46Å
530D88.4Confident90Very high89 Ų8961.6 Ų61.648%0.47632%0.32SS..PPolyproline II helixtrans-59.5126.2177.6-66.72.2000111.2E532 D563D530-E532 PolarHBondContact O-N 3Å; D530-D563 HydrophobicContact CB-CB 4.33Å
531C90.3Very high89.7Confident1 Ų164 Ų641%0.00733%0.326CS..PPolyproline II helixtrans-66.7136.3-176.2-66.40000113.4E529 T535 F548 C550 R562 D563E529-C531 PolarHBondContact O-N 3.11Å; C531-T535 WeakPolarHBondContact CB-OG1 3.25Å; C531-F548 VanDerWaalsContact SG-CE2 3.55Å; C531-C550 WeakPolarHBondContact CA-SG 3.43Å; C531-C550 HydrophobicContact CB-CB 3.87Å; C531-C550 WeakPolarHBondContact CB-SG 3.3Å; C531-C550 WeakPolarHBondContact SG-CA 3.44Å; C531-C550 WeakPolarHBondContact SG-CB 3.42Å; C531-C550 CovalentContact SG-SG 2.05Å; C531-C550 PolarHBondContact SG-SG 2.89Å; C531-R562 CarbonylContact O-C 3.55Å; C531-R562 VanDerWaalsContact O-CA 3.28Å; C531-R562 WeakPolarHBondContact O-CA 3.42Å; C531-D563 PolarHBondContact O-N 2.85Å
532E91.9Very high89.2Confident93 Ų9362.8 Ų62.844%0.43533%0.334SS..PPolyproline II helixtrans-76.6152.5178.6-71.3-69.6173.800112.4D530 G534 T535 R562D530-E532 PolarHBondContact O-N 3Å; E532-G534 PolarHBondContact O-N 2.82Å; E532-T535 PolarHBondContact N-OG1 3.47Å; E532-T535 PolarHBondContact O-N 2.8Å; E532-T535 PolarHBondContact O-OG1 2.93Å; E532-R562 VanDerWaalsContact CD-CZ 3.42Å; E532-R562 IonicContact OE1-CZ 2.72Å; E532-R562 IonicContact OE1-NH1 3.76Å; E532-R562 PolarHBondContact OE1-NH1 2.83Å; E532-R562 IonicContact OE1-NH2 2.86Å; E532-R562 PolarHBondContact OE1-NH2 3.37Å; E532-R562 IonicContact OE2-CZ 2.92Å; E532-R562 IonicContact OE2-NE 3.05Å; E532-R562 IonicContact OE2-NH1 3.68Å; E532-R562 IonicContact OE2-NH2 3.78Å; E532-R562 PolarHBondContact OE2-NH2 3.11Å
533P91.4Very high88.8Confident47 Ų4763.9 Ų63.931%0.30534%0.336SS..THydrogen-bonded Turntrans-54.5138.7175.4-23.733.9000112R562 T581P533-R562 HydrophobicContact CG-CG 4.34Å; P533-T581 HydrophobicContact CB-CG2 3.88Å; P533-T581 WeakPolarHBondContact O-CG2 3.4Å
534G88.8Confident88.3Confident5 Ų565.2 Ų65.25%0.05235%0.345CS..THydrogen-bonded Turntrans97.4-17.8-167.300000114.1E532 C553 S559 N579 H580E532-G534 PolarHBondContact O-N 2.82Å; G534-C553 WeakPolarHBondContact O-CB 3.23Å; G534-C553 PolarHBondContact O-N 2.84Å; G534-C553 PolarHBondContact O-SG 2.87Å; G534-S559 PolarHBondContact N-O 2.88Å; G534-N579 WeakPolarHBondContact CA-O 3.49Å; G534-H580 WeakPolarHBondContact CA-O 3.39Å
535T91.8Very high87.9Confident23 Ų2365.8 Ų65.814%0.14136%0.359CS..EExtended strand (participates in β ladder)trans-113.5168.4174.971.50000111.9C531 E532 T551 E552 S559C531-T535 WeakPolarHBondContact CB-OG1 3.25Å; E532-T535 PolarHBondContact N-OG1 3.47Å; E532-T535 PolarHBondContact O-N 2.8Å; E532-T535 PolarHBondContact O-OG1 2.93Å; T535-T551 CarbonylContact C-O 3.55Å; T535-T551 VanDerWaalsContact CA-O 3.23Å; T535-T551 WeakPolarHBondContact CA-O 3.27Å; T535-T551 VanDerWaalsContact CB-O 3.31Å; T535-T551 WeakPolarHBondContact CB-O 3.23Å; T535-E552 HydrophobicContact CG2-CG 4.28Å; T535-S559 VanDerWaalsContact O-CB 3.31Å; T535-S559 WeakPolarHBondContact O-CB 3.47Å; T535-S559 PolarHBondContact O-OG 2.81Å
536R91.6Very high87.5Confident81 Ų8166.2 Ų66.231%0.30636%0.362SS..EExtended strand (participates in β ladder)trans-136.9162.4169.963.4163.1-178.976.611.8111.3G538 T551 A564 C567R536-G538 PolarHBondContact O-N 3.34Å; R536-T551 VanDerWaalsContact CZ-OG1 3.29Å; R536-T551 PolarHBondContact N-O 2.76Å; R536-T551 PolarHBondContact NH1-OG1 3.03Å; R536-T551 PolarHBondContact NH2-OG1 3.49Å; R536-T551 PolarHBondContact O-N 3.46Å; R536-T551 PolarHBondContact O-OG1 3.37Å; R536-T551 VanDerWaalsContact O-OG1 3.05Å; R536-A564 CarbonylContact C-O 3.56Å; R536-A564 WeakPolarHBondContact CA-O 3.49Å; R536-C567 VanDerWaalsContact CD-SG 3.6Å; R536-C567 VanDerWaalsContact CG-SG 3.52Å
537K90.8Very high87.4Confident54 Ų5465.2 Ų65.224%0.23536%0.356CS..EExtended strand (participates in β ladder)trans-59.2125.2169-55.5-167.6-177.6-152.30111.3F548 D563 A564K537-F548 HydrophobicContact CB-CB 3.97Å; K537-F548 HydrophobicContact CB-CD2 4.1Å; K537-F548 HydrophobicContact CB-CG 4.03Å; K537-F548 HydrophobicContact CD-CD1 3.75Å; K537-F548 HydrophobicContact CD-CD2 3.94Å; K537-F548 HydrophobicContact CD-CE1 3.88Å; K537-F548 HydrophobicContact CD-CE2 4.05Å; K537-F548 HydrophobicContact CD-CG 3.79Å; K537-F548 HydrophobicContact CD-CZ 4.03Å; K537-F548 HydrophobicContact CG-CB 4.38Å; K537-F548 HydrophobicContact CG-CD1 4.34Å; K537-F548 HydrophobicContact CG-CD2 3.67Å; K537-F548 HydrophobicContact CG-CE2 4Å; K537-F548 HydrophobicContact CG-CG 3.86Å; K537-F548 HydrophobicContact CG-CZ 4.48Å; K537-F548 VanDerWaalsContact NZ-CZ 3.25Å; K537-D563 WeakPolarHBondContact CE-O 3.33Å; K537-D563 WeakPolarHBondContact CE-OD1 3.41Å; K537-D563 WeakPolarHBondContact CE-OD2 3.4Å; K537-D563 IonicContact NZ-OD1 2.72Å; K537-D563 PolarHBondContact NZ-OD1 2.96Å; K537-D563 IonicContact NZ-OD2 3.52Å; K537-D563 PolarHBondContact NZ-OD2 3.01Å; K537-A564 PolarHBondContact N-O 2.84Å
538G87.7Confident87.4Confident4 Ų464.5 Ų64.54%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-103.4143.316800000110.3R536 F548 E549R536-G538 PolarHBondContact O-N 3.34Å; G538-F548 VanDerWaalsContact O-CA 3.27Å; G538-F548 WeakPolarHBondContact O-CA 3.48Å; G538-F548 VanDerWaalsContact O-CB 3.26Å; G538-F548 WeakPolarHBondContact O-CB 3.43Å; G538-E549 WeakPolarHBondContact CA-O 3.2Å; G538-E549 PolarHBondContact N-O 3.33Å; G538-E549 PolarHBondContact O-N 3.3Å; G538-E549 VanDerWaalsContact O-N 3.15Å
539I86.4Confident87.4Confident155 Ų15568.9 Ų68.980%0.79537%0.368SS*.EExtended strand (participates in β ladder)trans-81.5124178.8-60.4171000108
540I86.3Confident87.6Confident57 Ų5764.5 Ų64.529%0.29235%0.354SS..  trans-88.8115.6171.9-58.7170.7000108S542 M543 E549I540-S542 PolarHBondContact O-N 3.37Å; I540-M543 HydrophobicContact CB-CB 4.07Å; I540-M543 HydrophobicContact CB-CG 4.16Å; I540-M543 HydrophobicContact CG2-CB 4.06Å; I540-M543 HydrophobicContact CG2-CG 3.62Å; I540-M543 PolarHBondContact O-N 2.84Å; I540-E549 HydrophobicContact CD1-CB 4.17Å; I540-E549 HydrophobicContact CD1-CG 4.5Å; I540-E549 HydrophobicContact CG1-CB 4.09Å; I540-E549 HydrophobicContact CG1-CG 3.87Å
541D79.7Confident87.8Confident145 Ų14561.7 Ų61.778%0.77534%0.34SS*.THydrogen-bonded Turntrans-55137.2175.5-79.3-36.3000110.9M543D541-M543 VanDerWaalsContact C-N 3.28Å; D541-M543 PolarHBondContact O-N 3.01Å
542S80.1Confident87.8Confident130 Ų13069 Ų6991%0.90937%0.374SS*.THydrogen-bonded Turntrans68.5-0.2-175.772.70000118.2I540I540-S542 PolarHBondContact O-N 3.37Å
543M82.6Confident87.8Confident84 Ų8464.8 Ų64.841%0.41436%0.355SS..SBendtrans-99155.7170.4-67.3-65.6-71.900112W208 I540 D541 C547W208-M543 HydrophobicContact CH2-CE 3.92Å; W208-M543 HydrophobicContact CZ2-CE 4.1Å; I540-M543 HydrophobicContact CB-CB 4.07Å; I540-M543 HydrophobicContact CB-CG 4.16Å; I540-M543 HydrophobicContact CG2-CB 4.06Å; I540-M543 HydrophobicContact CG2-CG 3.62Å; I540-M543 PolarHBondContact O-N 2.84Å; D541-M543 VanDerWaalsContact C-N 3.28Å; D541-M543 PolarHBondContact O-N 3.01Å; M543-C547 HydrophobicContact CB-CB 3.93Å; M543-C547 HydrophobicContact CE-CB 3.98Å; M543-C547 VanDerWaalsContact CE-SG 3.6Å
544P83.1Confident87.6Confident54 Ų5466 Ų6635%0.35137%0.365SS..  trans-74.6161.3175.831.5-35.3000112.5W208 C236 C546 C547W208-P544 HydrophobicContact CH2-CG 4.21Å; W208-P544 HydrophobicContact CZ3-CG 3.8Å; C236-P544 HydrophobicContact CB-CG 4.43Å; P544-C546 VanDerWaalsContact C-N 3.29Å; P544-C546 PolarHBondContact O-N 2.89Å; P544-C546 VanDerWaalsContact O-N 3.12Å; P544-C547 VanDerWaalsContact O-CB 3.3Å; P544-C547 WeakPolarHBondContact O-CB 3.07Å; P544-C547 PolarHBondContact O-N 3.09Å
545T81.3Confident87.3Confident133 Ų13371.3 Ų71.382%0.81639%0.392SS*.THydrogen-bonded Turntrans-61.1-24.3-16643.50000116.6C547T545-C547 PolarHBondContact O-N 3.15Å
546C86.4Confident86.9Confident10 Ų1070.3 Ų70.37%0.06839%0.386CS..THydrogen-bonded Turntrans-68-20.2171.456.80000113.8C236 P544 F548C236-C546 HydrophobicContact CB-CB 3.94Å; C236-C546 WeakPolarHBondContact CB-SG 3.29Å; C236-C546 WeakPolarHBondContact SG-CB 3.28Å; C236-C546 CovalentContact SG-SG 2.01Å; C236-C546 PolarHBondContact SG-SG 3.41Å; P544-C546 VanDerWaalsContact C-N 3.29Å; P544-C546 PolarHBondContact O-N 2.89Å; P544-C546 VanDerWaalsContact O-N 3.12Å; C546-F548 VanDerWaalsContact O-CD1 3.24Å; C546-F548 WeakPolarHBondContact O-CD1 3.18Å; C546-F548 WeakPolarHBondContact O-CE1 3.37Å
547C89.3Confident86.7Confident5 Ų569 Ų693%0.03438%0.383CS..  trans-99.4111.7-178.4-59.40000109.3W208 C527 M543 P544 T545W208-C547 VanDerWaalsContact CZ3-SG 3.54Å; C527-C547 HydrophobicContact CB-CB 3.93Å; C527-C547 WeakPolarHBondContact CB-SG 3.45Å; C527-C547 WeakPolarHBondContact SG-CB 3.46Å; C527-C547 CovalentContact SG-SG 2.03Å; C527-C547 PolarHBondContact SG-SG 3.31Å; M543-C547 HydrophobicContact CB-CB 3.93Å; M543-C547 HydrophobicContact CE-CB 3.98Å; M543-C547 VanDerWaalsContact CE-SG 3.6Å; P544-C547 VanDerWaalsContact O-CB 3.3Å; P544-C547 WeakPolarHBondContact O-CB 3.07Å; P544-C547 PolarHBondContact O-N 3.09Å; T545-C547 PolarHBondContact O-N 3.15Å
548F89.9Confident86.7Confident15 Ų1569.1 Ų69.17%0.06638%0.383CS..EExtended strand (participates in β ladder)trans-133.4151.8-177.651.9-90.5000111S528 E529 C531 K537 G538 C546S528-F548 VanDerWaalsContact CB-O 3.28Å; S528-F548 WeakPolarHBondContact CB-O 3.22Å; S528-F548 PolarHBondContact OG-N 2.88Å; S528-F548 PolarHBondContact OG-O 3.17Å; E529-F548 WeakPolarHBondContact O-CE2 3.46Å; C531-F548 VanDerWaalsContact SG-CE2 3.55Å; K537-F548 HydrophobicContact CB-CB 3.97Å; K537-F548 HydrophobicContact CB-CD2 4.1Å; K537-F548 HydrophobicContact CB-CG 4.03Å; K537-F548 HydrophobicContact CD-CD1 3.75Å; K537-F548 HydrophobicContact CD-CD2 3.94Å; K537-F548 HydrophobicContact CD-CE1 3.88Å; K537-F548 HydrophobicContact CD-CE2 4.05Å; K537-F548 HydrophobicContact CD-CG 3.79Å; K537-F548 HydrophobicContact CD-CZ 4.03Å; K537-F548 HydrophobicContact CG-CB 4.38Å; K537-F548 HydrophobicContact CG-CD1 4.34Å; K537-F548 HydrophobicContact CG-CD2 3.67Å; K537-F548 HydrophobicContact CG-CE2 4Å; K537-F548 HydrophobicContact CG-CG 3.86Å; K537-F548 HydrophobicContact CG-CZ 4.48Å; K537-F548 VanDerWaalsContact NZ-CZ 3.25Å; G538-F548 VanDerWaalsContact O-CA 3.27Å; G538-F548 WeakPolarHBondContact O-CA 3.48Å; G538-F548 VanDerWaalsContact O-CB 3.26Å; G538-F548 WeakPolarHBondContact O-CB 3.43Å; C546-F548 VanDerWaalsContact O-CD1 3.24Å; C546-F548 WeakPolarHBondContact O-CD1 3.18Å; C546-F548 WeakPolarHBondContact O-CE1 3.37Å
549E91.1Very high86.9Confident109 Ų10969 Ų6951%0.50938%0.381SS..EExtended strand (participates in β ladder)trans-97.4145.5166.153.7170.2-146.600109.7G538 I540 T551G538-E549 WeakPolarHBondContact CA-O 3.2Å; G538-E549 PolarHBondContact N-O 3.33Å; G538-E549 PolarHBondContact O-N 3.3Å; G538-E549 VanDerWaalsContact O-N 3.15Å; I540-E549 HydrophobicContact CD1-CB 4.17Å; I540-E549 HydrophobicContact CD1-CG 4.5Å; I540-E549 HydrophobicContact CG1-CB 4.09Å; I540-E549 HydrophobicContact CG1-CG 3.87Å; E549-T551 HydrophobicContact CG-CG2 4.02Å; E549-T551 PolarHBondContact O-N 2.75Å
550C91.8Very high87.1Confident61 Ų6166.5 Ų66.541%0.41237%0.37SS..EExtended strand (participates in β ladder)trans-85104.3178.1-61.80000110C531C531-C550 WeakPolarHBondContact CA-SG 3.43Å; C531-C550 HydrophobicContact CB-CB 3.87Å; C531-C550 WeakPolarHBondContact CB-SG 3.3Å; C531-C550 WeakPolarHBondContact SG-CA 3.44Å; C531-C550 WeakPolarHBondContact SG-CB 3.42Å; C531-C550 CovalentContact SG-SG 2.05Å; C531-C550 PolarHBondContact SG-SG 2.89Å
551T90.9Very high87.1Confident29 Ų2968.3 Ų68.318%0.17838%0.377CS..EExtended strand (participates in β ladder)trans-96.9135.6-177.855.80000110.8T535 R536 E549T535-T551 CarbonylContact C-O 3.55Å; T535-T551 VanDerWaalsContact CA-O 3.23Å; T535-T551 WeakPolarHBondContact CA-O 3.27Å; T535-T551 VanDerWaalsContact CB-O 3.31Å; T535-T551 WeakPolarHBondContact CB-O 3.23Å; R536-T551 VanDerWaalsContact CZ-OG1 3.29Å; R536-T551 PolarHBondContact N-O 2.76Å; R536-T551 PolarHBondContact NH1-OG1 3.03Å; R536-T551 PolarHBondContact NH2-OG1 3.49Å; R536-T551 PolarHBondContact O-N 3.46Å; R536-T551 PolarHBondContact O-OG1 3.37Å; R536-T551 VanDerWaalsContact O-OG1 3.05Å; E549-T551 HydrophobicContact CG-CG2 4.02Å; E549-T551 PolarHBondContact O-N 2.75Å
552E91.6Very high87.6Confident155 Ų15568.3 Ų68.372%0.72437%0.366SS*.EExtended strand (participates in β ladder)trans-61.9144.2177.1-65.1-175.8142.800111.4T535T535-E552 HydrophobicContact CG2-CG 4.28Å
553C90.4Very high87.9Confident5 Ų564.8 Ų64.83%0.03434%0.337CS..PPolyproline II helixtrans-64.4148.7172.8-71.90000111.2G534 S559 C567 H580G534-C553 WeakPolarHBondContact O-CB 3.23Å; G534-C553 PolarHBondContact O-N 2.84Å; G534-C553 PolarHBondContact O-SG 2.87Å; C553-S559 VanDerWaalsContact SG-CB 3.53Å; C553-C567 WeakPolarHBondContact CA-SG 3.38Å; C553-C567 HydrophobicContact CB-CB 3.79Å; C553-C567 WeakPolarHBondContact CB-SG 3.42Å; C553-C567 WeakPolarHBondContact SG-CB 3.37Å; C553-C567 CovalentContact SG-SG 2.03Å; C553-C567 PolarHBondContact SG-SG 3.3Å; C553-H580 HydrophobicContact CB-CB 3.65Å; C553-H580 PolarHBondContact O-CE1 2.94Å; C553-H580 PolarHBondContact O-ND1 3.45Å
554S87.9Confident88.1Confident72 Ų7260.9 Ų60.950%0.50332%0.318SS..PPolyproline II helixtrans-73.1160.5177.8-630000112.5G556 E557 H580S554-G556 PolarHBondContact O-N 2.64Å; S554-E557 WeakPolarHBondContact O-CA 3.45Å; S554-E557 WeakPolarHBondContact O-CB 3.27Å; S554-E557 PolarHBondContact O-N 2.71Å; S554-H580 PolarHBondContact O-ND1 3.24Å
555D83.6Confident88.3Confident116 Ų11662.2 Ų62.262%0.6233%0.329SS*.THydrogen-bonded Turntrans-53.1129172.8-87.3-46.1000112.5E557 W575 H580D555-E557 VanDerWaalsContact C-N 3.32Å; D555-W575 HydrophobicContact CB-CH2 3.99Å; D555-W575 HydrophobicContact CB-CZ2 3.68Å; D555-H580 IonicContact OD1-CE1 3.06Å
556G81.5Confident88.7Confident2 Ų260.9 Ų60.92%0.02132%0.32CS..THydrogen-bonded Turntrans81.34-173.600000114.8S554 C570 S576S554-G556 PolarHBondContact O-N 2.64Å; G556-C570 WeakPolarHBondContact O-CB 3.38Å; G556-C570 PolarHBondContact O-N 3.02Å; G556-S576 PolarHBondContact N-OG 2.93Å
557E89.3Confident88.9Confident54 Ų5460.8 Ų60.825%0.25232%0.319SS..EExtended strand (participates in β ladder)trans-119.7159174-49.1-164.6149.700111.8S554 D555 C567 T568 K569 S576 H580S554-E557 WeakPolarHBondContact O-CA 3.45Å; S554-E557 WeakPolarHBondContact O-CB 3.27Å; S554-E557 PolarHBondContact O-N 2.71Å; D555-E557 VanDerWaalsContact C-N 3.32Å; E557-C567 HydrophobicContact CB-CB 3.91Å; E557-T568 CarbonylContact C-O 3.38Å; E557-T568 WeakPolarHBondContact CA-O 3.33Å; E557-K569 HydrophobicContact CG-CB 4.36Å; E557-K569 HydrophobicContact CG-CG 4.46Å; E557-S576 VanDerWaalsContact O-CB 3.24Å; E557-S576 WeakPolarHBondContact O-CB 3.35Å; E557-H580 PolarHBondContact O-ND1 2.97Å
558Y89.9Confident88.9Confident57 Ų5763.9 Ų63.922%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-144.5156.4-17980.6-76.5000113.8N560 T568 H580 C583Y558-N560 HydrophobicContact CD2-CB 4.15Å; Y558-N560 HydrophobicContact CE2-CB 4.01Å; Y558-T568 WeakPolarHBondContact CD1-O 3.31Å; Y558-T568 HydrophobicContact CE1-CG2 3.86Å; Y558-T568 PolarHBondContact N-O 3.4Å; Y558-T568 PolarHBondContact O-N 3.24Å; Y558-H580 CarbonylContact C-O 3.3Å; Y558-H580 WeakPolarHBondContact CA-O 3.49Å; Y558-H580 VanDerWaalsContact CB-O 3.29Å; Y558-H580 WeakPolarHBondContact CB-O 3.33Å; Y558-C583 WeakPolarHBondContact CD1-SG 3.22Å
559S92.9Very high88.8Confident2 Ų270.5 Ų70.51%0.01437%0.367CS..  trans-133.4117.1173.4169.60000109G534 T535 C553 H561 A564 H580G534-S559 PolarHBondContact N-O 2.88Å; T535-S559 VanDerWaalsContact O-CB 3.31Å; T535-S559 WeakPolarHBondContact O-CB 3.47Å; T535-S559 PolarHBondContact O-OG 2.81Å; C553-S559 VanDerWaalsContact SG-CB 3.53Å; S559-H561 PolarHBondContact OG-O 2.88Å; S559-A564 VanDerWaalsContact OG-CB 3.23Å; S559-A564 WeakPolarHBondContact OG-CB 3.37Å; S559-H580 PolarHBondContact N-O 2.98Å
560N89.9Confident88.5Confident102 Ų10265.8 Ų65.855%0.54535%0.346SS..  trans-105.72.7-172.470.4-26.3000114.6Y558Y558-N560 HydrophobicContact CD2-CB 4.15Å; Y558-N560 HydrophobicContact CE2-CB 4.01Å
561H86.7Confident88.1Confident95 Ų9566.9 Ų66.944%0.4435%0.352SS..SBendtrans-134.4159.6-176.455.3-80.5000110.3S559 A564S559-H561 PolarHBondContact OG-O 2.88Å; H561-A564 WeakPolarHBondContact NE2-CB 3.34Å
562R88.7Confident87.4Confident144 Ų14471.8 Ų71.854%0.54338%0.377SS..THydrogen-bonded Turntrans-69.6153.2171.4-74.7175.5176.9-93.8-16.1110.5C531 E532 P533 A564C531-R562 CarbonylContact O-C 3.55Å; C531-R562 VanDerWaalsContact O-CA 3.28Å; C531-R562 WeakPolarHBondContact O-CA 3.42Å; E532-R562 VanDerWaalsContact CD-CZ 3.42Å; E532-R562 IonicContact OE1-CZ 2.72Å; E532-R562 IonicContact OE1-NH1 3.76Å; E532-R562 PolarHBondContact OE1-NH1 2.83Å; E532-R562 IonicContact OE1-NH2 2.86Å; E532-R562 PolarHBondContact OE1-NH2 3.37Å; E532-R562 IonicContact OE2-CZ 2.92Å; E532-R562 IonicContact OE2-NE 3.05Å; E532-R562 IonicContact OE2-NH1 3.68Å; E532-R562 IonicContact OE2-NH2 3.78Å; E532-R562 PolarHBondContact OE2-NH2 3.11Å; P533-R562 HydrophobicContact CG-CG 4.34Å; R562-A564 VanDerWaalsContact C-N 3.25Å; R562-A564 PolarHBondContact O-N 2.98Å
563D86.3Confident86.5Confident56 Ų5668.7 Ų68.730%0.29937%0.366SS..THydrogen-bonded Turntrans60.325.9172.7-152.447.3000115.6D530 C531 K537 S565D530-D563 HydrophobicContact CB-CB 4.33Å; C531-D563 PolarHBondContact O-N 2.85Å; K537-D563 WeakPolarHBondContact CE-O 3.33Å; K537-D563 WeakPolarHBondContact CE-OD1 3.41Å; K537-D563 WeakPolarHBondContact CE-OD2 3.4Å; K537-D563 IonicContact NZ-OD1 2.72Å; K537-D563 PolarHBondContact NZ-OD1 2.96Å; K537-D563 IonicContact NZ-OD2 3.52Å; K537-D563 PolarHBondContact NZ-OD2 3.01Å; D563-S565 PolarHBondContact O-N 2.9Å
564A86.9Confident85.9Confident2 Ų269 Ų692%0.01737%0.368CS..  trans-61.2129.4-178.600000112.7R536 K537 S559 H561 R562R536-A564 CarbonylContact C-O 3.56Å; R536-A564 WeakPolarHBondContact CA-O 3.49Å; K537-A564 PolarHBondContact N-O 2.84Å; S559-A564 VanDerWaalsContact OG-CB 3.23Å; S559-A564 WeakPolarHBondContact OG-CB 3.37Å; H561-A564 WeakPolarHBondContact NE2-CB 3.34Å; R562-A564 VanDerWaalsContact C-N 3.25Å; R562-A564 PolarHBondContact O-N 2.98Å
565S87.2Confident85.6Confident83 Ų8367.1 Ų67.158%0.5835%0.35SS*.SBendtrans-79.8-29.6176.255.60000113.6D563D563-S565 PolarHBondContact O-N 2.9Å
566V89.6Confident85.8Confident104 Ų10461.8 Ų61.863%0.6332%0.322SS*.SBendtrans-144137.3-174.4-178.20000110.2
567C91.3Very high86Confident9 Ų962.6 Ų62.66%0.06133%0.326CS..PPolyproline II helixtrans-76144.8174.3-58.50000111.2R536 C553 E557R536-C567 VanDerWaalsContact CD-SG 3.6Å; R536-C567 VanDerWaalsContact CG-SG 3.52Å; C553-C567 WeakPolarHBondContact CA-SG 3.38Å; C553-C567 HydrophobicContact CB-CB 3.79Å; C553-C567 WeakPolarHBondContact CB-SG 3.42Å; C553-C567 WeakPolarHBondContact SG-CB 3.37Å; C553-C567 CovalentContact SG-SG 2.03Å; C553-C567 PolarHBondContact SG-SG 3.3Å; E557-C567 HydrophobicContact CB-CB 3.91Å
568T90Very high85.6Confident70 Ų7063.5 Ų63.543%0.42935%0.35SS..EExtended strand (participates in β ladder)trans-98.7130.3179.2-57.70000110E557 Y558E557-T568 CarbonylContact C-O 3.38Å; E557-T568 WeakPolarHBondContact CA-O 3.33Å; Y558-T568 WeakPolarHBondContact CD1-O 3.31Å; Y558-T568 HydrophobicContact CE1-CG2 3.86Å; Y558-T568 PolarHBondContact N-O 3.4Å; Y558-T568 PolarHBondContact O-N 3.24Å
569K88.1Confident85.4Confident154 Ų15466.6 Ų66.667%0.6737%0.37SS*.EExtended strand (participates in β ladder)trans-70135.6178.6-169.5158.6-170.9153.10112.5E557E557-K569 HydrophobicContact CG-CB 4.36Å; E557-K569 HydrophobicContact CG-CG 4.46Å
570C84.4Confident85.1Confident9 Ų967.6 Ų67.66%0.06137%0.374CS..PPolyproline II helixtrans-65.7144.7176.1-74.60000112.1G556 C583G556-C570 WeakPolarHBondContact O-CB 3.38Å; G556-C570 PolarHBondContact O-N 3.02Å; C570-C583 WeakPolarHBondContact CA-SG 3.25Å; C570-C583 HydrophobicContact CB-CB 3.86Å; C570-C583 WeakPolarHBondContact CB-SG 3.19Å; C570-C583 WeakPolarHBondContact SG-CB 3.35Å; C570-C583 CovalentContact SG-SG 2.04Å; C570-C583 PolarHBondContact SG-SG 3.44Å
571P84.1Confident85Confident85 Ų8564.7 Ų64.755%0.55236%0.361SS*.PPolyproline II helixtrans-57.2146171.9-25.433.6000113.1N573 S574P571-N573 PolarHBondContact O-N 3.38Å; P571-S574 WeakPolarHBondContact CD-OG 3.12Å; P571-S574 WeakPolarHBondContact O-CA 3.43Å; P571-S574 PolarHBondContact O-N 3.39Å; P571-S574 PolarHBondContact O-OG 2.82Å
572N74.4Confident84.9Confident132 Ų13265.8 Ų65.871%0.70636%0.364SS*.THydrogen-bonded Turntrans-52.1-26.2-172.1-59.618.4000116.3S574N572-S574 VanDerWaalsContact C-N 3.25Å; N572-S574 PolarHBondContact O-N 3.38Å
573N73.6Confident84.8Confident89 Ų8960.7 Ų60.748%0.47635%0.351SS..THydrogen-bonded Turntrans-84.33.3178.2-64.9-12.8000113.2P571 L585 K586 Y739P571-N573 PolarHBondContact O-N 3.38Å; N573-L585 HydrophobicContact CB-CD2 4.37Å; N573-L585 WeakPolarHBondContact O-CA 3.1Å; N573-K586 PolarHBondContact O-N 3.45Å; N573-Y739 WeakPolarHBondContact OD1-CE1 3.2Å
574S78.1Confident84.7Confident13 Ų1362.3 Ų62.39%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-139.9166-170.557.40000112.7P571 N572 F584P571-S574 WeakPolarHBondContact CD-OG 3.12Å; P571-S574 WeakPolarHBondContact O-CA 3.43Å; P571-S574 PolarHBondContact O-N 3.39Å; P571-S574 PolarHBondContact O-OG 2.82Å; N572-S574 VanDerWaalsContact C-N 3.25Å; N572-S574 PolarHBondContact O-N 3.38Å; S574-F584 CarbonylContact C-O 3.19Å; S574-F584 WeakPolarHBondContact CA-O 3.42Å; S574-F584 WeakPolarHBondContact CB-O 3.2Å
575W81.9Confident84.3Confident32 Ų3268.5 Ų68.512%0.12139%0.387CS..EExtended strand (participates in β ladder)trans-138.6153-176.9-166.7-111.2000110.4D555 C583 F584 K586 D742D555-W575 HydrophobicContact CB-CH2 3.99Å; D555-W575 HydrophobicContact CB-CZ2 3.68Å; W575-C583 CarbonylContact O-C 3.6Å; W575-C583 WeakPolarHBondContact O-CA 3.33Å; W575-F584 HydrophobicContact CB-CE1 4.27Å; W575-F584 HydrophobicContact CB-CE2 4.41Å; W575-F584 HydrophobicContact CB-CZ 4.07Å; W575-F584 AromaticContact CD1-CZ 3.97Å; W575-F584 HydrophobicContact CG-CZ 4.43Å; W575-F584 PolarHBondContact N-O 3.38Å; W575-F584 WeakPolarHBondContact O-CD1 3.41Å; W575-F584 PolarHBondContact O-N 3.2Å; W575-K586 HydrophobicContact CB-CG 4.36Å; W575-D742 HydrophobicContact CE3-CB 4.24Å; W575-D742 HydrophobicContact CH2-CB 3.45Å; W575-D742 VanDerWaalsContact CH2-CB 3.45Å; W575-D742 WeakPolarHBondContact CH2-OD1 3.48Å; W575-D742 HydrophobicContact CZ2-CB 3.82Å; W575-D742 HydrophobicContact CZ3-CB 3.67Å; W575-D742 WeakPolarHBondContact CZ3-OD1 3.35Å
576S86.4Confident83.8Confident4 Ų465.6 Ų65.63%0.02836%0.364CS..EExtended strand (participates in β ladder)trans-69.3140.3177.748.90000111.3G556 E557 F584G556-S576 PolarHBondContact N-OG 2.93Å; E557-S576 VanDerWaalsContact O-CB 3.24Å; E557-S576 WeakPolarHBondContact O-CB 3.35Å; S576-F584 VanDerWaalsContact O-CE1 3.29Å; S576-F584 WeakPolarHBondContact O-CE1 3.45Å
577N85.9Confident82.7Confident18 Ų1867.7 Ų67.710%0.09637%0.367CS..  trans-65.3160.1164.670.3-45.8000110.6N579 H580 T581 F582 F584N577-N579 PolarHBondContact O-N 3.03Å; N577-H580 WeakPolarHBondContact O-CA 3.47Å; N577-H580 PolarHBondContact O-N 3.26Å; N577-H580 PolarHBondContact OD1-N 3.25Å; N577-T581 PolarHBondContact ND2-OG1 3.37Å; N577-T581 PolarHBondContact OD1-N 2.82Å; N577-T581 PolarHBondContact OD1-OG1 2.69Å; N577-F582 HydrophobicContact CB-CD2 4.39Å; N577-F582 HydrophobicContact CB-CE1 4.25Å; N577-F582 HydrophobicContact CB-CE2 4.01Å; N577-F582 HydrophobicContact CB-CZ 3.94Å; N577-F582 PolarHBondContact N-O 3.39Å; N577-F582 VanDerWaalsContact ND2-CE1 3.32Å; N577-F582 WeakPolarHBondContact ND2-CE1 3.21Å; N577-F582 PolarHBondContact OD1-N 3.25Å; N577-F582 PolarHBondContact OD1-O 2.91Å; N577-F584 HydrophobicContact CB-CD1 4.44Å
578G81.9Confident81.9Confident74 Ų7471.3 Ų71.376%0.76339%0.385SS*.THydrogen-bonded Turntrans-68.69.7-17900000116.7
579N84.4Confident81.1Confident121 Ų12171.7 Ų71.765%0.64738%0.382SS*.THydrogen-bonded Turntrans-118.86.2166.9-65.277000111.1G534 N577 T581G534-N579 WeakPolarHBondContact CA-O 3.49Å; N577-N579 PolarHBondContact O-N 3.03Å; N579-T581 PolarHBondContact O-N 3.23Å
580H86.8Confident80.6Confident23 Ų2367.2 Ų67.211%0.10636%0.362CS..SBendtrans49.832.2179.5-52-99.1000114.8G534 C553 S554 D555 E557 Y558 S559 N577G534-H580 WeakPolarHBondContact CA-O 3.39Å; C553-H580 HydrophobicContact CB-CB 3.65Å; C553-H580 PolarHBondContact O-CE1 2.94Å; C553-H580 PolarHBondContact O-ND1 3.45Å; S554-H580 PolarHBondContact O-ND1 3.24Å; D555-H580 IonicContact OD1-CE1 3.06Å; E557-H580 PolarHBondContact O-ND1 2.97Å; Y558-H580 CarbonylContact C-O 3.3Å; Y558-H580 WeakPolarHBondContact CA-O 3.49Å; Y558-H580 VanDerWaalsContact CB-O 3.29Å; Y558-H580 WeakPolarHBondContact CB-O 3.33Å; S559-H580 PolarHBondContact N-O 2.98Å; N577-H580 WeakPolarHBondContact O-CA 3.47Å; N577-H580 PolarHBondContact O-N 3.26Å; N577-H580 PolarHBondContact OD1-N 3.25Å
581T88.1Confident80.4Confident42 Ų4267.2 Ų67.226%0.25836%0.362SS..SBendtrans-95.1-24.1179.843.80000113.9P533 N577 N579P533-T581 HydrophobicContact CB-CG2 3.88Å; P533-T581 WeakPolarHBondContact O-CG2 3.4Å; N577-T581 PolarHBondContact ND2-OG1 3.37Å; N577-T581 PolarHBondContact OD1-N 2.82Å; N577-T581 PolarHBondContact OD1-OG1 2.69Å; N579-T581 PolarHBondContact O-N 3.23Å
582F85.8Confident80.3Confident117 Ų11764.3 Ų64.351%0.51334%0.343SS..SBendtrans-158160.4178.562.2-92.5000112.8N577N577-F582 HydrophobicContact CB-CD2 4.39Å; N577-F582 HydrophobicContact CB-CE1 4.25Å; N577-F582 HydrophobicContact CB-CE2 4.01Å; N577-F582 HydrophobicContact CB-CZ 3.94Å; N577-F582 PolarHBondContact N-O 3.39Å; N577-F582 VanDerWaalsContact ND2-CE1 3.32Å; N577-F582 WeakPolarHBondContact ND2-CE1 3.21Å; N577-F582 PolarHBondContact OD1-N 3.25Å; N577-F582 PolarHBondContact OD1-O 2.91Å
583C86.1Confident80.7Confident38 Ų3864.1 Ų64.126%0.25733%0.333SS..EExtended strand (participates in β ladder)trans-95.2137.3176.8-47.40000112Y558 C570 W575Y558-C583 WeakPolarHBondContact CD1-SG 3.22Å; C570-C583 WeakPolarHBondContact CA-SG 3.25Å; C570-C583 HydrophobicContact CB-CB 3.86Å; C570-C583 WeakPolarHBondContact CB-SG 3.19Å; C570-C583 WeakPolarHBondContact SG-CB 3.35Å; C570-C583 CovalentContact SG-SG 2.04Å; C570-C583 PolarHBondContact SG-SG 3.44Å; W575-C583 CarbonylContact O-C 3.6Å; W575-C583 WeakPolarHBondContact O-CA 3.33Å
584F83.8Confident81Confident89 Ų8965.4 Ų65.439%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-114.4157.2170.470.3-93000111.1S574 W575 S576 N577S574-F584 CarbonylContact C-O 3.19Å; S574-F584 WeakPolarHBondContact CA-O 3.42Å; S574-F584 WeakPolarHBondContact CB-O 3.2Å; W575-F584 HydrophobicContact CB-CE1 4.27Å; W575-F584 HydrophobicContact CB-CE2 4.41Å; W575-F584 HydrophobicContact CB-CZ 4.07Å; W575-F584 AromaticContact CD1-CZ 3.97Å; W575-F584 HydrophobicContact CG-CZ 4.43Å; W575-F584 PolarHBondContact N-O 3.38Å; W575-F584 WeakPolarHBondContact O-CD1 3.41Å; W575-F584 PolarHBondContact O-N 3.2Å; S576-F584 VanDerWaalsContact O-CE1 3.29Å; S576-F584 WeakPolarHBondContact O-CE1 3.45Å; N577-F584 HydrophobicContact CB-CD1 4.44Å
585L78.9Confident81.2Confident132 Ų13267 Ų6769%0.69135%0.35SS*.EExtended strand (participates in β ladder)trans-72.3133.7-176.4-68170.8000112.4N573N573-L585 HydrophobicContact CB-CD2 4.37Å; N573-L585 WeakPolarHBondContact O-CA 3.1Å
586K75.6Confident81.5Confident22 Ų2270.4 Ų70.410%0.09638%0.376CS..PPolyproline II helixtrans-60.3143.7176.1-65.1-170.2-176.8-156.90110.9N573 W575 I741 D742 I745N573-K586 PolarHBondContact O-N 3.45Å; W575-K586 HydrophobicContact CB-CG 4.36Å; K586-I741 PolarHBondContact NZ-O 3.5Å; K586-D742 VanDerWaalsContact CD-O 3.3Å; K586-D742 WeakPolarHBondContact CD-O 2.98Å; K586-D742 WeakPolarHBondContact CE-O 3.14Å; K586-D742 PolarHBondContact NZ-O 3.46Å; K586-I745 HydrophobicContact CB-CD1 3.85Å; K586-I745 HydrophobicContact CB-CG1 3.89Å; K586-I745 HydrophobicContact CD-CD1 4.25Å; K586-I745 HydrophobicContact CD-CG1 3.91Å
587Q67.5Low81.3Confident149 Ų14974.4 Ų74.470%0.69639%0.393SS*.EExtended strand (participates in β ladder)trans-77.7156.8177.2-62.8-165.222.300111.7I745Q587-I745 PolarHBondContact O-N 3.14Å
588I74.2Confident81.4Confident85 Ų8573.5 Ų73.544%0.43639%0.389SS..EExtended strand (participates in β ladder)trans-113.3121.7-175.1-60178.5000110.3I745 I747I588-I745 VanDerWaalsContact CA-O 3.29Å; I588-I745 WeakPolarHBondContact CA-O 3.47Å; I588-I747 HydrophobicContact CG2-CD1 3.59Å; I588-I747 HydrophobicContact CG2-CG1 3.72Å
589E72.9Confident81.7Confident78 Ų7873.5 Ų73.536%0.36437%0.37SS..EExtended strand (participates in β ladder)trans-112.5141.7175.8-82.1-141.4-174.900114.1I744 I745 F746 I747 K815E589-I744 HydrophobicContact CB-CG2 3.94Å; E589-I744 HydrophobicContact CG-CG2 3.9Å; E589-I745 PolarHBondContact N-O 3.15Å; E589-F746 WeakPolarHBondContact O-CA 3.45Å; E589-I747 PolarHBondContact O-N 2.91Å; E589-K815 IonicContact OE1-NZ 2.76Å; E589-K815 VanDerWaalsContact OE2-CD 3.27Å; E589-K815 WeakPolarHBondContact OE2-CD 3.5Å; E589-K815 WeakPolarHBondContact OE2-CE 3.27Å; E589-K815 IonicContact OE2-NZ 3.35Å; E589-K815 PolarHBondContact OE2-NZ 2.88Å
590F78.3Confident82Confident60 Ų6070.2 Ų70.226%0.26336%0.36SS..  trans-156.4168170.761.6-88.8000110.1S592 E656F590-S592 PolarHBondContact O-N 3.32Å; F590-E656 HydrophobicContact CD2-CB 4.37Å; F590-E656 HydrophobicContact CE2-CB 4.15Å; F590-E656 HydrophobicContact CZ-CB 4.3Å
591L79Confident82.2Confident9 Ų969.8 Ų69.85%0.04736%0.358CS..  trans-71.888.6177.9-176.964.3000111G655 K815 A819L591-G655 WeakPolarHBondContact O-CA 3.33Å; L591-G655 PolarHBondContact O-N 3.44Å; L591-K815 HydrophobicContact CB-CB 4.44Å; L591-A819 HydrophobicContact CD1-CB 4.48Å; L591-A819 HydrophobicContact CD2-CB 4Å
592S81.8Confident82.5Confident23 Ų2368.4 Ų68.416%0.16135%0.351CS..  trans-76.4149.9-173.6-176.20000113.9F590 T594 E595F590-S592 PolarHBondContact O-N 3.32Å; S592-T594 PolarHBondContact O-N 3.48Å; S592-T594 PolarHBondContact OG-N 2.96Å; S592-T594 PolarHBondContact OG-OG1 2.73Å; S592-E595 PolarHBondContact O-N 3.11Å
593W82.9Confident82.8Confident128 Ų12867.6 Ų67.649%0.48535%0.351SS..THydrogen-bonded Turntrans-62.4-17.6165.5-69.193.2000113.6I599 A602 L651 I654W593-I599 WeakPolarHBondContact O-CG1 3.43Å; W593-A602 HydrophobicContact CE3-CB 4.25Å; W593-A602 HydrophobicContact CZ3-CB 3.75Å; W593-L651 HydrophobicContact CH2-CB 4.27Å; W593-L651 HydrophobicContact CH2-CD2 4.08Å; W593-L651 HydrophobicContact CZ3-CD2 4.41Å; W593-I654 HydrophobicContact CD2-CB 4.34Å; W593-I654 HydrophobicContact CD2-CG2 3.64Å; W593-I654 HydrophobicContact CE3-CG2 3.95Å; W593-I654 HydrophobicContact CG-CG2 4.02Å; W593-I654 HydrophobicContact CH2-CB 4.09Å; W593-I654 HydrophobicContact CH2-CG2 4.32Å; W593-I654 HydrophobicContact CZ2-CB 3.77Å; W593-I654 HydrophobicContact CZ2-CG2 4.02Å; W593-I654 WeakPolarHBondContact CZ2-O 3.32Å; W593-I654 HydrophobicContact CZ3-CB 4.5Å; W593-I654 HydrophobicContact CZ3-CG2 4.29Å; W593-I654 PolarHBondContact NE1-O 2.77Å
594T81.3Confident83.2Confident116 Ų11668.5 Ų68.571%0.71236%0.357SS*.THydrogen-bonded Turntrans-93.2-12.1177.757.30000113.8S592S592-T594 PolarHBondContact O-N 3.48Å; S592-T594 PolarHBondContact OG-N 2.96Å; S592-T594 PolarHBondContact OG-OG1 2.73Å
595E82.5Confident83.7Confident47 Ų4764.3 Ų64.322%0.2234%0.339CS..SBendtrans-82.7138.1-179.1-170169.6-178.300110.3S592 F597 G598 I599 K815S592-E595 PolarHBondContact O-N 3.11Å; E595-F597 PolarHBondContact O-N 3.46Å; E595-G598 PolarHBondContact O-N 3.33Å; E595-I599 WeakPolarHBondContact O-CG1 3.47Å; E595-I599 PolarHBondContact O-N 3.31Å; E595-K815 WeakPolarHBondContact OE1-CE 3.02Å; E595-K815 IonicContact OE1-NZ 2.66Å; E595-K815 PolarHBondContact OE1-NZ 3.24Å; E595-K815 WeakPolarHBondContact OE2-CE 3.49Å; E595-K815 IonicContact OE2-NZ 2.7Å; E595-K815 PolarHBondContact OE2-NZ 3Å
596P86.7Confident84.5Confident103 Ų10361.6 Ų61.667%0.66933%0.327SS*.Hα-helixtrans-52.8-32.7-175.5-30.736.7000115A600P596-A600 WeakPolarHBondContact O-CB 3.25Å; P596-A600 PolarHBondContact O-N 3.23Å
597F83.4Confident85.4Confident88 Ų8863.8 Ų63.839%0.38634%0.343SS..Hα-helixtrans-69.3-45.2176.6-149.6-85.8000112.1E595 A600 L601 A819 I823E595-F597 PolarHBondContact O-N 3.46Å; F597-A600 PolarHBondContact O-N 3.14Å; F597-L601 HydrophobicContact CD1-CD1 3.81Å; F597-L601 HydrophobicContact CD1-CG 4.15Å; F597-L601 HydrophobicContact CE1-CD1 3.86Å; F597-L601 HydrophobicContact CE1-CD2 4.38Å; F597-L601 HydrophobicContact CE1-CG 4.21Å; F597-L601 WeakPolarHBondContact O-CG 3.39Å; F597-L601 PolarHBondContact O-N 3.01Å; F597-L601 VanDerWaalsContact O-N 3.11Å; F597-A819 HydrophobicContact CD1-CB 3.9Å; F597-A819 HydrophobicContact CE1-CB 3.64Å; F597-I823 HydrophobicContact CE1-CD1 4.08Å; F597-I823 HydrophobicContact CZ-CD1 3.98Å
598G87.9Confident86.6Confident0 Ų056.7 Ų56.70%031%0.309CS..Hα-helixtrans-62.2-42.8175.500000112.2E595 A600 L601 A602E595-G598 PolarHBondContact O-N 3.33Å; G598-A600 PolarHBondContact O-N 2.94Å; G598-L601 PolarHBondContact O-N 2.97Å; G598-A602 WeakPolarHBondContact O-CB 3.46Å; G598-A602 PolarHBondContact O-N 2.94Å
599I88.3Confident87.7Confident74 Ų7454.3 Ų54.338%0.37930%0.299SS..Hα-helixtrans-58.2-48.2175.1-65.3168.7000111W593 E595 L601 A602 I603W593-I599 WeakPolarHBondContact O-CG1 3.43Å; E595-I599 WeakPolarHBondContact O-CG1 3.47Å; E595-I599 PolarHBondContact O-N 3.31Å; I599-L601 PolarHBondContact O-N 3.09Å; I599-A602 PolarHBondContact O-N 3.3Å; I599-I603 HydrophobicContact CG2-CD1 3.79Å; I599-I603 VanDerWaalsContact O-CG1 3.32Å; I599-I603 WeakPolarHBondContact O-CG1 3.47Å; I599-I603 PolarHBondContact O-N 3.22Å
600A90.5Very high88.7Confident51 Ų5155 Ų5542%0.42131%0.308SS..Hα-helixtrans-62.1-43.6-179.700000112.7P596 F597 G598 I603 C604P596-A600 WeakPolarHBondContact O-CB 3.25Å; P596-A600 PolarHBondContact O-N 3.23Å; F597-A600 PolarHBondContact O-N 3.14Å; G598-A600 PolarHBondContact O-N 2.94Å; A600-I603 PolarHBondContact O-N 2.83Å; A600-C604 PolarHBondContact O-N 2.65Å; A600-C604 VanDerWaalsContact O-N 3.12Å; A600-C604 PolarHBondContact O-SG 2.7Å; A600-C604 VanDerWaalsContact O-SG 3.41Å
601L91.6Very high89.4Confident15 Ų1556 Ų568%0.07932%0.316CS..Hα-helixtrans-65.6-42.3177.4-65.4179.9000112.2F597 G598 I599 C604 A605 I654 A819 V822 I823F597-L601 HydrophobicContact CD1-CD1 3.81Å; F597-L601 HydrophobicContact CD1-CG 4.15Å; F597-L601 HydrophobicContact CE1-CD1 3.86Å; F597-L601 HydrophobicContact CE1-CD2 4.38Å; F597-L601 HydrophobicContact CE1-CG 4.21Å; F597-L601 WeakPolarHBondContact O-CG 3.39Å; F597-L601 PolarHBondContact O-N 3.01Å; F597-L601 VanDerWaalsContact O-N 3.11Å; G598-L601 PolarHBondContact O-N 2.97Å; I599-L601 PolarHBondContact O-N 3.09Å; L601-C604 PolarHBondContact O-N 3.32Å; L601-A605 PolarHBondContact O-N 3.36Å; L601-I654 HydrophobicContact CB-CD1 4.08Å; L601-A819 HydrophobicContact CD1-CB 4.14Å; L601-V822 HydrophobicContact CB-CG1 4.01Å; L601-V822 HydrophobicContact CD1-CB 4.11Å; L601-V822 HydrophobicContact CD1-CG1 3.96Å; L601-V822 HydrophobicContact CD2-CG1 4.15Å; L601-V822 HydrophobicContact CG-CG1 4.26Å; L601-I823 HydrophobicContact CD2-CD1 4.34Å; L601-I823 HydrophobicContact CD2-CG1 3.66Å
602A92.6Very high90.1Very high12 Ų1255.6 Ų55.610%0.09931%0.313CS..Hα-helixtrans-61.3-44.2176.900000112.2W593 G598 I599 C604 A605 V606 L651 I654W593-A602 HydrophobicContact CE3-CB 4.25Å; W593-A602 HydrophobicContact CZ3-CB 3.75Å; G598-A602 WeakPolarHBondContact O-CB 3.46Å; G598-A602 PolarHBondContact O-N 2.94Å; I599-A602 PolarHBondContact O-N 3.3Å; A602-C604 PolarHBondContact O-N 2.9Å; A602-A605 PolarHBondContact O-N 3.13Å; A602-V606 WeakPolarHBondContact O-CG2 3.43Å; A602-V606 PolarHBondContact O-N 2.9Å; A602-L651 HydrophobicContact CB-CD2 4.32Å; A602-I654 HydrophobicContact CB-CD1 3.98Å
603I93.3Very high90.7Very high100 Ų10056.7 Ų56.751%0.51332%0.324SS..Hα-helixtrans-60.5-46.4176-69.3167.3000110.6I599 A600 A605 V606 V607I599-I603 HydrophobicContact CG2-CD1 3.79Å; I599-I603 VanDerWaalsContact O-CG1 3.32Å; I599-I603 WeakPolarHBondContact O-CG1 3.47Å; I599-I603 PolarHBondContact O-N 3.22Å; A600-I603 PolarHBondContact O-N 2.83Å; I603-A605 VanDerWaalsContact C-N 3.35Å; I603-A605 PolarHBondContact O-N 3.01Å; I603-V606 PolarHBondContact O-N 3.05Å; I603-V607 HydrophobicContact CG2-CG2 4.39Å; I603-V607 WeakPolarHBondContact O-CB 3.26Å; I603-V607 VanDerWaalsContact O-CG2 3.32Å; I603-V607 WeakPolarHBondContact O-CG2 3.41Å; I603-V607 PolarHBondContact O-N 2.83Å
604C93.9Very high91.2Very high58 Ų5856.2 Ų56.239%0.39233%0.326SS..Hα-helixtrans-60.5-40.9177.3-74.60000112.8A600 L601 A602 G608 L826 F830A600-C604 PolarHBondContact O-N 2.65Å; A600-C604 VanDerWaalsContact O-N 3.12Å; A600-C604 PolarHBondContact O-SG 2.7Å; A600-C604 VanDerWaalsContact O-SG 3.41Å; L601-C604 PolarHBondContact O-N 3.32Å; A602-C604 PolarHBondContact O-N 2.9Å; C604-G608 PolarHBondContact O-N 3.36Å; C604-L826 HydrophobicContact CB-CD1 3.94Å; C604-F830 WeakPolarHBondContact O-CZ 3.29Å
605A94.7Very high91.6Very high0 Ų051.4 Ų51.40%030%0.296CS..Hα-helixtrans-63.3-48.3175.200000112.2L601 A602 I603 V607 G608 V609 L651 L826L601-A605 PolarHBondContact O-N 3.36Å; A602-A605 PolarHBondContact O-N 3.13Å; I603-A605 VanDerWaalsContact C-N 3.35Å; I603-A605 PolarHBondContact O-N 3.01Å; A605-V607 PolarHBondContact O-N 3.28Å; A605-G608 WeakPolarHBondContact O-CA 3.09Å; A605-G608 PolarHBondContact O-N 2.96Å; A605-G608 VanDerWaalsContact O-N 3.11Å; A605-V609 PolarHBondContact O-N 3.28Å; A605-L651 HydrophobicContact CB-CD2 3.72Å; A605-L651 HydrophobicContact CB-CG 4.18Å; A605-L826 HydrophobicContact CB-CD2 3.94Å
606V94.9Very high92Very high75 Ų7550.5 Ų50.546%0.45529%0.292SS..Hα-helixtrans-62.2-41.9178.5171.70000111.6A602 I603 G608 V609 V610A602-V606 WeakPolarHBondContact O-CG2 3.43Å; A602-V606 PolarHBondContact O-N 2.9Å; I603-V606 PolarHBondContact O-N 3.05Å; V606-G608 VanDerWaalsContact C-N 3.3Å; V606-G608 PolarHBondContact O-N 3.06Å; V606-V609 PolarHBondContact O-N 3.48Å; V606-V610 HydrophobicContact CG1-CG2 4.4Å; V606-V610 WeakPolarHBondContact O-CG2 3.45Å; V606-V610 PolarHBondContact O-N 3.42Å
607V95.3Very high92.1Very high69 Ų6947.4 Ų47.442%0.41828%0.279SS..Hα-helixtrans-60.3-40.3173.7168.20000111.2I603 A605 V610 L611I603-V607 HydrophobicContact CG2-CG2 4.39Å; I603-V607 WeakPolarHBondContact O-CB 3.26Å; I603-V607 VanDerWaalsContact O-CG2 3.32Å; I603-V607 WeakPolarHBondContact O-CG2 3.41Å; I603-V607 PolarHBondContact O-N 2.83Å; A605-V607 PolarHBondContact O-N 3.28Å; V607-V610 PolarHBondContact O-N 3.33Å; V607-L611 HydrophobicContact CG1-CD1 3.71Å; V607-L611 HydrophobicContact CG1-CG 4.28Å; V607-L611 WeakPolarHBondContact O-CB 3.49Å; V607-L611 VanDerWaalsContact O-CG 3.26Å; V607-L611 WeakPolarHBondContact O-CG 3.22Å; V607-L611 PolarHBondContact O-N 3.11Å
608G93.4Very high92.4Very high0 Ų043.7 Ų43.70%026%0.263CS..Hα-helixtrans-61-44.4173.900000113.6C604 A605 V606 T612 F647C604-G608 PolarHBondContact O-N 3.36Å; A605-G608 WeakPolarHBondContact O-CA 3.09Å; A605-G608 PolarHBondContact O-N 2.96Å; A605-G608 VanDerWaalsContact O-N 3.11Å; V606-G608 VanDerWaalsContact C-N 3.3Å; V606-G608 PolarHBondContact O-N 3.06Å; G608-T612 WeakPolarHBondContact O-CB 3.32Å; G608-T612 PolarHBondContact O-N 3.19Å; G608-T612 PolarHBondContact O-OG1 3.49Å; G608-F647 WeakPolarHBondContact O-CD2 3.09Å
609V95.5Very high92.3Very high35 Ų3543.8 Ų43.821%0.21226%0.264CS..Hα-helixtrans-60.3-51.5174173.90000111A605 V606 L611 T612 A613 I644 F647A605-V609 PolarHBondContact O-N 3.28Å; V606-V609 PolarHBondContact O-N 3.48Å; V609-L611 PolarHBondContact O-N 2.96Å; V609-T612 PolarHBondContact O-N 3.14Å; V609-A613 WeakPolarHBondContact O-CB 3.38Å; V609-A613 PolarHBondContact O-N 3.46Å; V609-I644 HydrophobicContact CG1-CG2 4.34Å; V609-F647 HydrophobicContact CG2-CB 3.61Å
610V95Very high92.3Very high91 Ų9144.4 Ų44.455%0.55227%0.267SS*.Hα-helixtrans-62-44.8-177.4171.30000111.6V606 V607 T612 A613 F614V606-V610 HydrophobicContact CG1-CG2 4.4Å; V606-V610 WeakPolarHBondContact O-CG2 3.45Å; V606-V610 PolarHBondContact O-N 3.42Å; V607-V610 PolarHBondContact O-N 3.33Å; V610-T612 PolarHBondContact O-N 3.33Å; V610-A613 PolarHBondContact O-N 2.91Å; V610-F614 WeakPolarHBondContact O-CB 3.44Å; V610-F614 PolarHBondContact O-N 2.77Å
611L93.6Very high92.1Very high82 Ų8251.3 Ų51.343%0.42928%0.282SS..Hα-helixtrans-63.1-42176.4-72.3170.8000111.8V607 V609 F614 V615 F830 L833V607-L611 HydrophobicContact CG1-CD1 3.71Å; V607-L611 HydrophobicContact CG1-CG 4.28Å; V607-L611 WeakPolarHBondContact O-CB 3.49Å; V607-L611 VanDerWaalsContact O-CG 3.26Å; V607-L611 WeakPolarHBondContact O-CG 3.22Å; V607-L611 PolarHBondContact O-N 3.11Å; V609-L611 PolarHBondContact O-N 2.96Å; L611-F614 PolarHBondContact O-N 3.24Å; L611-V615 WeakPolarHBondContact O-CG2 3.45Å; L611-V615 PolarHBondContact O-N 3.38Å; L611-F830 HydrophobicContact CD1-CE1 4.3Å; L611-L833 HydrophobicContact CB-CD2 4.06Å
612T93.6Very high91.9Very high0 Ų054.3 Ų54.30%030%0.295CS..Hα-helixtrans-68.7-39.4179.3-50.60000111.7G608 V609 V610 V615 M616 L640 L643 I644 F647 L833G608-T612 WeakPolarHBondContact O-CB 3.32Å; G608-T612 PolarHBondContact O-N 3.19Å; G608-T612 PolarHBondContact O-OG1 3.49Å; V609-T612 PolarHBondContact O-N 3.14Å; V610-T612 PolarHBondContact O-N 3.33Å; T612-V615 PolarHBondContact O-N 3.36Å; T612-M616 PolarHBondContact O-N 2.7Å; T612-L640 HydrophobicContact CG2-CB 4.47Å; T612-L640 HydrophobicContact CG2-CD2 3.91Å; T612-L640 WeakPolarHBondContact CG2-O 3.43Å; T612-L643 HydrophobicContact CG2-CB 3.76Å; T612-I644 HydrophobicContact CG2-CD1 4.34Å; T612-I644 HydrophobicContact CG2-CG1 3.66Å; T612-F647 WeakPolarHBondContact OG1-CE2 3.47Å; T612-L833 HydrophobicContact CG2-CD1 4.19Å
613A93.2Very high91.3Very high47 Ų4760.1 Ų60.139%0.38831%0.314SS..Hα-helixtrans-64-38.7173.800000112.4V609 V610 M616 G617 I644V609-A613 WeakPolarHBondContact O-CB 3.38Å; V609-A613 PolarHBondContact O-N 3.46Å; V610-A613 PolarHBondContact O-N 2.91Å; A613-M616 WeakPolarHBondContact O-CB 3.36Å; A613-M616 PolarHBondContact O-N 2.88Å; A613-G617 PolarHBondContact O-N 3.27Å; A613-I644 HydrophobicContact CB-CD1 4.41Å
614F93.1Very high90.6Very high118 Ų11860.9 Ų60.952%0.51832%0.319SS..Hα-helixtrans-61.4-46.9172.1173.5-99.4000111.9V610 L611 M616 G617 V618 V841 L845V610-F614 WeakPolarHBondContact O-CB 3.44Å; V610-F614 PolarHBondContact O-N 2.77Å; L611-F614 PolarHBondContact O-N 3.24Å; F614-M616 VanDerWaalsContact C-N 3.32Å; F614-M616 PolarHBondContact O-N 3.05Å; F614-G617 PolarHBondContact O-N 3.28Å; F614-G617 VanDerWaalsContact O-N 3.16Å; F614-V618 HydrophobicContact CE1-CG2 4.09Å; F614-V618 HydrophobicContact CE2-CG2 4.34Å; F614-V618 HydrophobicContact CZ-CG2 3.99Å; F614-V618 WeakPolarHBondContact O-CG2 3.48Å; F614-V618 PolarHBondContact O-N 2.92Å; F614-V841 HydrophobicContact CE1-CG1 4.46Å; F614-L845 HydrophobicContact CE1-CD1 4.46Å; F614-L845 HydrophobicContact CZ-CD1 4.18Å
615V91.2Very high89.9Confident15 Ų1559.1 Ų59.19%0.09131%0.307CS..Hα-helixtrans-60.4-41.7176.1174.10000111.3L611 T612 V618 F619 L640 L833 F837 V841L611-V615 WeakPolarHBondContact O-CG2 3.45Å; L611-V615 PolarHBondContact O-N 3.38Å; T612-V615 PolarHBondContact O-N 3.36Å; V615-V618 PolarHBondContact O-N 3.12Å; V615-F619 HydrophobicContact CG1-CD2 4.13Å; V615-F619 HydrophobicContact CG1-CE2 4.22Å; V615-F619 WeakPolarHBondContact O-CD2 3.42Å; V615-F619 PolarHBondContact O-N 3.19Å; V615-L640 HydrophobicContact CB-CD2 4.21Å; V615-L640 HydrophobicContact CG1-CD1 3.97Å; V615-L640 HydrophobicContact CG1-CD2 3.65Å; V615-L640 HydrophobicContact CG1-CG 4.5Å; V615-L833 HydrophobicContact CG2-CD1 4.29Å; V615-F837 HydrophobicContact CG1-CB 3.85Å; V615-F837 HydrophobicContact CG1-CD1 3.91Å; V615-F837 HydrophobicContact CG1-CG 3.97Å; V615-V841 HydrophobicContact CB-CG2 4.49Å; V615-V841 HydrophobicContact CG1-CG2 3.94Å; V615-V841 HydrophobicContact CG2-CG2 4.14Å
616M90.3Very high88.8Confident28 Ų2860.6 Ų60.614%0.13832%0.316CS..Hα-helixtrans-58-49.1172.4-175.878.587.200111.5T612 A613 F614 V618 F619 I620 Y637 L640 F641 I644T612-M616 PolarHBondContact O-N 2.7Å; A613-M616 WeakPolarHBondContact O-CB 3.36Å; A613-M616 PolarHBondContact O-N 2.88Å; F614-M616 VanDerWaalsContact C-N 3.32Å; F614-M616 PolarHBondContact O-N 3.05Å; M616-V618 VanDerWaalsContact C-N 3.33Å; M616-V618 PolarHBondContact O-N 3.13Å; M616-F619 PolarHBondContact O-N 3.12Å; M616-F619 VanDerWaalsContact O-N 3.11Å; M616-I620 HydrophobicContact CG-CD1 3.83Å; M616-I620 HydrophobicContact CG-CG1 4.47Å; M616-I620 WeakPolarHBondContact O-CG1 3.2Å; M616-I620 PolarHBondContact O-N 3.03Å; M616-I620 HydrophobicContact SD-CD1 4.37Å; M616-Y637 WeakPolarHBondContact CE-O 3.48Å; M616-Y637 HydrophobicContact SD-CD1 3.8Å; M616-L640 HydrophobicContact CB-CD1 4.44Å; M616-L640 HydrophobicContact CE-CB 3.55Å; M616-L640 HydrophobicContact SD-CB 3.88Å; M616-L640 HydrophobicContact SD-CD1 4.21Å; M616-F641 HydrophobicContact CE-CB 4.01Å; M616-I644 HydrophobicContact CE-CD1 4.44Å
617G89.2Confident87.8Confident37 Ų3758.2 Ų58.238%0.38130%0.301SS..Hα-helixtrans-56.4-43.6177.600000112.8A613 F614 I620 R621A613-G617 PolarHBondContact O-N 3.27Å; F614-G617 PolarHBondContact O-N 3.28Å; F614-G617 VanDerWaalsContact O-N 3.16Å; G617-I620 PolarHBondContact O-N 3.03Å; G617-R621 VanDerWaalsContact O-CB 3.28Å; G617-R621 WeakPolarHBondContact O-CB 3.48Å; G617-R621 PolarHBondContact O-N 3.35Å
618V89.3Confident87Confident11 Ų1155 Ų557%0.06728%0.281CS..Hα-helixtrans-61.3-47.4173.7173.80000111.1F614 V615 M616 I620 R621 F622 I844 L845F614-V618 HydrophobicContact CE1-CG2 4.09Å; F614-V618 HydrophobicContact CE2-CG2 4.34Å; F614-V618 HydrophobicContact CZ-CG2 3.99Å; F614-V618 WeakPolarHBondContact O-CG2 3.48Å; F614-V618 PolarHBondContact O-N 2.92Å; V615-V618 PolarHBondContact O-N 3.12Å; M616-V618 VanDerWaalsContact C-N 3.33Å; M616-V618 PolarHBondContact O-N 3.13Å; V618-I620 VanDerWaalsContact C-N 3.3Å; V618-I620 PolarHBondContact O-N 3.09Å; V618-R621 PolarHBondContact O-N 3.31Å; V618-F622 HydrophobicContact CG1-CD2 3.97Å; V618-F622 WeakPolarHBondContact O-CB 3.12Å; V618-F622 WeakPolarHBondContact O-CD2 3.39Å; V618-F622 PolarHBondContact O-N 3.3Å; V618-I844 HydrophobicContact CG1-CG2 3.96Å; V618-L845 HydrophobicContact CG1-CD2 4.42Å; V618-L845 HydrophobicContact CG2-CD1 4.45Å
619F86.4Confident86Confident1 Ų159.7 Ų59.70%0.00430%0.302CS..Hα-helixtrans-66.8-26.8179.7-90.5-116.2000113.6V615 M616 R623 V628 Y637 L640 F837 K840 V841 I844V615-F619 HydrophobicContact CG1-CD2 4.13Å; V615-F619 HydrophobicContact CG1-CE2 4.22Å; V615-F619 WeakPolarHBondContact O-CD2 3.42Å; V615-F619 PolarHBondContact O-N 3.19Å; M616-F619 PolarHBondContact O-N 3.12Å; M616-F619 VanDerWaalsContact O-N 3.11Å; F619-R623 PolarHBondContact O-N 3.19Å; F619-V628 HydrophobicContact CD1-CG1 4.11Å; F619-V628 HydrophobicContact CD1-CG2 4.21Å; F619-V628 HydrophobicContact CE1-CG2 4.38Å; F619-Y637 HydrophobicContact CB-CE1 3.97Å; F619-Y637 PolarHBondContact O-OH 2.86Å; F619-L640 HydrophobicContact CB-CD1 4.41Å; F619-L640 HydrophobicContact CG-CD1 4.3Å; F619-F837 HydrophobicContact CE1-CD1 4.27Å; F619-F837 HydrophobicContact CE1-CE1 4.13Å; F619-F837 AromaticContact CE2-CD1 3.93Å; F619-F837 HydrophobicContact CE2-CD1 3.93Å; F619-F837 AromaticContact CZ-CD1 3.69Å; F619-F837 HydrophobicContact CZ-CD1 3.69Å; F619-F837 HydrophobicContact CZ-CE1 4.03Å; F619-K840 HydrophobicContact CE2-CB 4.49Å; F619-K840 HydrophobicContact CZ-CB 4.1Å; F619-K840 HydrophobicContact CZ-CD 4.45Å; F619-V841 HydrophobicContact CE2-CG2 4.02Å; F619-I844 HydrophobicContact CE2-CD1 4.44Å
620I87.4Confident84.7Confident88 Ų8861.3 Ų61.345%0.45132%0.319SS..Hα-helixtrans-77.9-49.9172.1-66.9170.6000110.3M616 G617 V618 F622 R623 Y637M616-I620 HydrophobicContact CG-CD1 3.83Å; M616-I620 HydrophobicContact CG-CG1 4.47Å; M616-I620 WeakPolarHBondContact O-CG1 3.2Å; M616-I620 PolarHBondContact O-N 3.03Å; M616-I620 HydrophobicContact SD-CD1 4.37Å; G617-I620 PolarHBondContact O-N 3.03Å; V618-I620 VanDerWaalsContact C-N 3.3Å; V618-I620 PolarHBondContact O-N 3.09Å; I620-F622 VanDerWaalsContact C-N 3.29Å; I620-F622 PolarHBondContact O-N 3.1Å; I620-R623 VanDerWaalsContact O-CB 3.28Å; I620-R623 WeakPolarHBondContact O-CB 3.11Å; I620-R623 VanDerWaalsContact O-CG 3.27Å; I620-R623 WeakPolarHBondContact O-CG 3.43Å; I620-R623 PolarHBondContact O-N 2.76Å; I620-Y637 HydrophobicContact CG1-CD1 4.22Å; I620-Y637 HydrophobicContact CG1-CE1 3.67Å
621R87.6Confident83.5Confident196 Ų19657.4 Ų57.474%0.7430%0.295SS*.Hα-helixtrans-61.4-36.2-177.8-173.563.8177.294.1-6.5112.8G617 V618G617-R621 VanDerWaalsContact O-CB 3.28Å; G617-R621 WeakPolarHBondContact O-CB 3.48Å; G617-R621 PolarHBondContact O-N 3.35Å; V618-R621 PolarHBondContact O-N 3.31Å
622F85.6Confident82.7Confident78 Ų7854.4 Ų54.434%0.34228%0.279SS..THydrogen-bonded Turntrans-103.120.9179.9-66.5-79.6000113.8V618 I620 N624 T625 I844 L845V618-F622 HydrophobicContact CG1-CD2 3.97Å; V618-F622 WeakPolarHBondContact O-CB 3.12Å; V618-F622 WeakPolarHBondContact O-CD2 3.39Å; V618-F622 PolarHBondContact O-N 3.3Å; I620-F622 VanDerWaalsContact C-N 3.29Å; I620-F622 PolarHBondContact O-N 3.1Å; F622-N624 PolarHBondContact O-N 2.88Å; F622-T625 HydrophobicContact CB-CG2 3.92Å; F622-T625 HydrophobicContact CD1-CG2 4.11Å; F622-T625 HydrophobicContact CG-CG2 4.49Å; F622-T625 WeakPolarHBondContact O-CB 3.46Å; F622-T625 WeakPolarHBondContact O-CG2 3.45Å; F622-T625 PolarHBondContact O-N 3.01Å; F622-T625 PolarHBondContact O-OG1 2.84Å; F622-I844 HydrophobicContact CB-CG2 4.12Å; F622-I844 HydrophobicContact CD1-CG2 4.34Å; F622-I844 HydrophobicContact CD2-CG2 3.78Å; F622-I844 HydrophobicContact CE2-CG2 4.26Å; F622-I844 HydrophobicContact CG-CG2 3.82Å; F622-L845 HydrophobicContact CE2-CD2 4.04Å
623R81.1Confident82.1Confident134 Ų13457.9 Ų57.951%0.50629%0.293SS..THydrogen-bonded Turntrans-48.9-21.4-179.363.4-178.4-80.2177.1-2116.7F619 I620 Y637F619-R623 PolarHBondContact O-N 3.19Å; I620-R623 VanDerWaalsContact O-CB 3.28Å; I620-R623 WeakPolarHBondContact O-CB 3.11Å; I620-R623 VanDerWaalsContact O-CG 3.27Å; I620-R623 WeakPolarHBondContact O-CG 3.43Å; I620-R623 PolarHBondContact O-N 2.76Å; R623-Y637 WeakPolarHBondContact CB-OH 3.43Å
624N78.6Confident81.7Confident115 Ų11558.3 Ų58.362%0.61529%0.286SS*.THydrogen-bonded Turntrans-92.6-9.7-178.5-82.1-25.2000114.9F622 K629F622-N624 PolarHBondContact O-N 2.88Å; N624-K629 WeakPolarHBondContact O-CD 3.46Å; N624-K629 VanDerWaalsContact O-CE 3.29Å; N624-K629 WeakPolarHBondContact O-CE 3.31Å; N624-K629 PolarHBondContact O-NZ 2.94Å
625T79.6Confident81.2Confident22 Ų2252.8 Ų52.814%0.13526%0.262CS..SBendtrans-67.1150.8178.957.80000112.6F622 I627 V628 K629 N851F622-T625 HydrophobicContact CB-CG2 3.92Å; F622-T625 HydrophobicContact CD1-CG2 4.11Å; F622-T625 HydrophobicContact CG-CG2 4.49Å; F622-T625 WeakPolarHBondContact O-CB 3.46Å; F622-T625 WeakPolarHBondContact O-CG2 3.45Å; F622-T625 PolarHBondContact O-N 3.01Å; F622-T625 PolarHBondContact O-OG1 2.84Å; T625-I627 VanDerWaalsContact C-N 3.31Å; T625-I627 PolarHBondContact O-N 2.7Å; T625-V628 PolarHBondContact O-N 2.9Å; T625-V628 WeakPolarHBondContact OG1-CG2 3.43Å; T625-K629 WeakPolarHBondContact O-CB 3.39Å; T625-K629 WeakPolarHBondContact O-CG 3.44Å; T625-K629 PolarHBondContact O-N 2.69Å; T625-K629 VanDerWaalsContact O-N 3.1Å; T625-N851 WeakPolarHBondContact CG2-ND2 3.42Å
626P70.3Confident81.1Confident31 Ų3152 Ų5220%0.20126%0.258CS..Hα-helixtrans-62.5-35.6179.223.4-32.5000112.7K629 A630 N851 I853P626-K629 PolarHBondContact O-N 3.15Å; P626-A630 VanDerWaalsContact O-CB 3.31Å; P626-A630 WeakPolarHBondContact O-CB 3.22Å; P626-A630 PolarHBondContact O-N 3.21Å; P626-N851 WeakPolarHBondContact CD-O 3.41Å; P626-N851 WeakPolarHBondContact CD-OD1 3.12Å; P626-N851 WeakPolarHBondContact CG-O 3.32Å; P626-N851 WeakPolarHBondContact CG-OD1 3.48Å; P626-I853 HydrophobicContact CB-CG1 4.44Å
627I74.5Confident81.1Confident25 Ų2552.7 Ų52.713%0.12826%0.259CS..Hα-helixtrans-62.9-47179.4-65.3172.9000111.7T625 T631 I843 I844 N851T625-I627 VanDerWaalsContact C-N 3.31Å; T625-I627 PolarHBondContact O-N 2.7Å; I627-T631 WeakPolarHBondContact O-CB 3.48Å; I627-T631 PolarHBondContact O-N 3.38Å; I627-T631 PolarHBondContact O-OG1 2.65Å; I627-I843 HydrophobicContact CD1-CB 4.28Å; I627-I843 HydrophobicContact CD1-CG2 3.45Å; I627-I843 VanDerWaalsContact CD1-CG2 3.45Å; I627-I844 HydrophobicContact CG2-CD1 4.37Å; I627-I844 HydrophobicContact CG2-CG1 4.46Å; I627-N851 HydrophobicContact CD1-CB 4.09Å; I627-N851 WeakPolarHBondContact CD1-OD1 3.33Å; I627-N851 WeakPolarHBondContact CG1-OD1 3.43Å
628V78.2Confident81.2Confident0 Ų053 Ų530%025%0.253CS..Hα-helixtrans-68.6-38.9178.3178.10000110.9F619 T625 T631 R633 I844F619-V628 HydrophobicContact CD1-CG1 4.11Å; F619-V628 HydrophobicContact CD1-CG2 4.21Å; F619-V628 HydrophobicContact CE1-CG2 4.38Å; T625-V628 PolarHBondContact O-N 2.9Å; T625-V628 WeakPolarHBondContact OG1-CG2 3.43Å; V628-T631 PolarHBondContact O-N 3.19Å; V628-R633 HydrophobicContact CG1-CB 3.95Å; V628-I844 HydrophobicContact CG2-CD1 3.77Å
629K73.7Confident81.3Confident100 Ų10052.5 Ų52.544%0.43525%0.25SS..Hα-helixtrans-63.1-44.6175.5-77.3170.4171.6160.10112.7N624 T625 P626 T631 N632N624-K629 WeakPolarHBondContact O-CD 3.46Å; N624-K629 VanDerWaalsContact O-CE 3.29Å; N624-K629 WeakPolarHBondContact O-CE 3.31Å; N624-K629 PolarHBondContact O-NZ 2.94Å; T625-K629 WeakPolarHBondContact O-CB 3.39Å; T625-K629 WeakPolarHBondContact O-CG 3.44Å; T625-K629 PolarHBondContact O-N 2.69Å; T625-K629 VanDerWaalsContact O-N 3.1Å; P626-K629 PolarHBondContact O-N 3.15Å; K629-T631 VanDerWaalsContact C-N 3.29Å; K629-T631 PolarHBondContact O-N 3.02Å; K629-N632 PolarHBondContact O-N 2.83Å
630A67.5Low81.5Confident69 Ų6952.4 Ų52.457%0.5725%0.25SC*.Hα-helixtrans-62.3-36.6178.300000112.5P626 N632P626-A630 VanDerWaalsContact O-CB 3.31Å; P626-A630 WeakPolarHBondContact O-CB 3.22Å; P626-A630 PolarHBondContact O-N 3.21Å; A630-N632 PolarHBondContact O-N 3.37Å; A630-N632 VanDerWaalsContact O-N 3.16Å
631T69.9Low81.9Confident9 Ų954 Ų546%0.05525%0.254CS..THydrogen-bonded Turntrans-70.1-8.4-176.3-55.60000114.2I627 V628 K629 K840I627-T631 WeakPolarHBondContact O-CB 3.48Å; I627-T631 PolarHBondContact O-N 3.38Å; I627-T631 PolarHBondContact O-OG1 2.65Å; V628-T631 PolarHBondContact O-N 3.19Å; K629-T631 VanDerWaalsContact C-N 3.29Å; K629-T631 PolarHBondContact O-N 3.02Å; T631-K840 HydrophobicContact CG2-CD 4.33Å; T631-K840 PolarHBondContact OG1-NZ 2.93Å
632N77.1Confident82.2Confident19 Ų1944.7 Ų44.710%0.10222%0.218CC..  trans60.1101.1-160.7-171-3.9000111.7K629 A630 E634 L635 S636 Q709K629-N632 PolarHBondContact O-N 2.83Å; A630-N632 PolarHBondContact O-N 3.37Å; A630-N632 VanDerWaalsContact O-N 3.16Å; N632-E634 PolarHBondContact O-N 2.88Å; N632-E634 PolarHBondContact OD1-N 2.86Å; N632-L635 WeakPolarHBondContact ND2-CD1 3.3Å; N632-S636 WeakPolarHBondContact O-CB 3.44Å; N632-S636 PolarHBondContact O-N 3.37Å; N632-S636 PolarHBondContact O-OG 3.4Å; N632-Q709 PolarHBondContact ND2-OE1 3.34Å; N632-Q709 VanDerWaalsContact ND2-OE1 3.11Å
633R80.6Confident82.5Confident73 Ų7341 Ų4128%0.27520%0.202SC..Hα-helixtrans-64.2-40.7-174.582.5-179.486.291.9-2.2112.6V628 S636 Y637V628-R633 HydrophobicContact CG1-CB 3.95Å; R633-S636 CarbonylContact O-C 3.59Å; R633-S636 WeakPolarHBondContact O-CA 3.36Å; R633-S636 WeakPolarHBondContact O-CB 3.19Å; R633-S636 PolarHBondContact O-N 3.24Å; R633-Y637 HydrophobicContact CB-CE2 3.9Å; R633-Y637 HydrophobicContact CG-CD2 4.4Å; R633-Y637 HydrophobicContact CG-CE2 3.7Å; R633-Y637 VanDerWaalsContact O-CD2 3.26Å; R633-Y637 WeakPolarHBondContact O-CD2 3.27Å; R633-Y637 PolarHBondContact O-N 2.94Å
634E83.9Confident83.2Confident56 Ų5636.3 Ų36.326%0.26219%0.187SC..Hα-helixtrans-70.6-43.2-170-40.3-54.116200111.3N632 S636 Y637 V638 L706 F710N632-E634 PolarHBondContact O-N 2.88Å; N632-E634 PolarHBondContact OD1-N 2.86Å; E634-S636 PolarHBondContact O-N 3.48Å; E634-Y637 PolarHBondContact O-N 2.72Å; E634-V638 PolarHBondContact O-N 3.45Å; E634-L706 HydrophobicContact CG-CD1 4.49Å; E634-L706 HydrophobicContact CG-CD2 4.26Å; E634-F710 HydrophobicContact CB-CE2 4.04Å; E634-F710 HydrophobicContact CB-CZ 3.69Å
635L84.1Confident83.9Confident1 Ų132.6 Ų32.61%0.00517%0.17CC..Hα-helixtrans-65.1-27.8170.6-71.6179.4000112.6N632 L639 V682 Q709 F710 V713N632-L635 WeakPolarHBondContact ND2-CD1 3.3Å; L635-L639 VanDerWaalsContact O-CB 3.24Å; L635-L639 WeakPolarHBondContact O-CB 3.46Å; L635-L639 PolarHBondContact O-N 3.38Å; L635-V682 HydrophobicContact CD1-CG1 4.29Å; L635-Q709 HydrophobicContact CD1-CB 4.47Å; L635-F710 HydrophobicContact CD2-CD1 4.23Å; L635-F710 HydrophobicContact CD2-CE1 3.85Å; L635-F710 HydrophobicContact CD2-CZ 4.23Å; L635-V713 HydrophobicContact CD2-CG2 4.08Å
636S88.1Confident84.6Confident0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-75.9-32.8177.7-570000112.3N632 R633 E634 L640N632-S636 WeakPolarHBondContact O-CB 3.44Å; N632-S636 PolarHBondContact O-N 3.37Å; N632-S636 PolarHBondContact O-OG 3.4Å; R633-S636 CarbonylContact O-C 3.59Å; R633-S636 WeakPolarHBondContact O-CA 3.36Å; R633-S636 WeakPolarHBondContact O-CB 3.19Å; R633-S636 PolarHBondContact O-N 3.24Å; E634-S636 PolarHBondContact O-N 3.48Å; S636-L640 WeakPolarHBondContact O-CG 3.26Å; S636-L640 PolarHBondContact O-N 3.16Å
637Y90Very high85.8Confident42 Ų4230.1 Ų30.117%0.16515%0.154CC..Hα-helixtrans-67.1-46.1171.7-60.4-42.8000111.2M616 F619 I620 R623 R633 E634 L639 L640 F641M616-Y637 WeakPolarHBondContact CE-O 3.48Å; M616-Y637 HydrophobicContact SD-CD1 3.8Å; F619-Y637 HydrophobicContact CB-CE1 3.97Å; F619-Y637 PolarHBondContact O-OH 2.86Å; I620-Y637 HydrophobicContact CG1-CD1 4.22Å; I620-Y637 HydrophobicContact CG1-CE1 3.67Å; R623-Y637 WeakPolarHBondContact CB-OH 3.43Å; R633-Y637 HydrophobicContact CB-CE2 3.9Å; R633-Y637 HydrophobicContact CG-CD2 4.4Å; R633-Y637 HydrophobicContact CG-CE2 3.7Å; R633-Y637 VanDerWaalsContact O-CD2 3.26Å; R633-Y637 WeakPolarHBondContact O-CD2 3.27Å; R633-Y637 PolarHBondContact O-N 2.94Å; E634-Y637 PolarHBondContact O-N 2.72Å; Y637-L639 VanDerWaalsContact C-N 3.32Å; Y637-L639 PolarHBondContact O-N 3.2Å; Y637-L640 PolarHBondContact O-N 2.84Å; Y637-F641 WeakPolarHBondContact O-CB 3.3Å; Y637-F641 PolarHBondContact O-N 3.27Å
638V91.1Very high86.7Confident42 Ų4231.3 Ų31.326%0.25516%0.164SC..Hα-helixtrans-62.9-39175.8179.30000111.7E634 F641 S642 L675 F710E634-V638 PolarHBondContact O-N 3.45Å; V638-F641 PolarHBondContact O-N 2.59Å; V638-S642 VanDerWaalsContact O-CB 3.25Å; V638-S642 WeakPolarHBondContact O-CB 3.46Å; V638-S642 PolarHBondContact O-N 2.71Å; V638-L675 HydrophobicContact CG1-CD1 4.02Å; V638-L675 HydrophobicContact CG1-CD2 4.28Å; V638-L675 HydrophobicContact CG1-CG 4.24Å; V638-F710 HydrophobicContact CG2-CE1 3.92Å
639L91.3Very high87.4Confident1 Ų131.4 Ų31.41%0.00517%0.165CC..Hα-helixtrans-62.1-42.4175.4-179.657.4000113L635 Y637 L643 C676 C679 I680 I836 F837L635-L639 VanDerWaalsContact O-CB 3.24Å; L635-L639 WeakPolarHBondContact O-CB 3.46Å; L635-L639 PolarHBondContact O-N 3.38Å; Y637-L639 VanDerWaalsContact C-N 3.32Å; Y637-L639 PolarHBondContact O-N 3.2Å; L639-L643 WeakPolarHBondContact O-CG 3.43Å; L639-L643 PolarHBondContact O-N 2.71Å; L639-L643 VanDerWaalsContact O-N 3.1Å; L639-C676 HydrophobicContact CD1-CB 4.25Å; L639-C676 WeakPolarHBondContact CD1-SG 3.27Å; L639-C679 HydrophobicContact CB-CB 4.08Å; L639-C679 HydrophobicContact CD1-CB 4.15Å; L639-I680 HydrophobicContact CD1-CD1 4.11Å; L639-I680 HydrophobicContact CD1-CG1 3.84Å; L639-I680 HydrophobicContact CD2-CG1 4.05Å; L639-I836 HydrophobicContact CD2-CG2 4.31Å; L639-F837 HydrophobicContact CB-CZ 4.47Å; L639-F837 HydrophobicContact CD2-CE2 3.97Å; L639-F837 HydrophobicContact CD2-CZ 3.72Å; L639-F837 HydrophobicContact CG-CE2 4.07Å; L639-F837 HydrophobicContact CG-CZ 3.94Å
640L92.5Very high88.3Confident0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-73.2-34.3177.1-73.4166.3000112.6T612 V615 M616 F619 S636 Y637 L643 I644 L833 F837T612-L640 HydrophobicContact CG2-CB 4.47Å; T612-L640 HydrophobicContact CG2-CD2 3.91Å; T612-L640 WeakPolarHBondContact CG2-O 3.43Å; V615-L640 HydrophobicContact CB-CD2 4.21Å; V615-L640 HydrophobicContact CG1-CD1 3.97Å; V615-L640 HydrophobicContact CG1-CD2 3.65Å; V615-L640 HydrophobicContact CG1-CG 4.5Å; M616-L640 HydrophobicContact CB-CD1 4.44Å; M616-L640 HydrophobicContact CE-CB 3.55Å; M616-L640 HydrophobicContact SD-CB 3.88Å; M616-L640 HydrophobicContact SD-CD1 4.21Å; F619-L640 HydrophobicContact CB-CD1 4.41Å; F619-L640 HydrophobicContact CG-CD1 4.3Å; S636-L640 WeakPolarHBondContact O-CG 3.26Å; S636-L640 PolarHBondContact O-N 3.16Å; Y637-L640 PolarHBondContact O-N 2.84Å; L640-L643 PolarHBondContact O-N 3.14Å; L640-I644 WeakPolarHBondContact O-CG1 3.44Å; L640-I644 PolarHBondContact O-N 3.16Å; L640-I644 VanDerWaalsContact O-N 3.1Å; L640-L833 HydrophobicContact CD2-CD1 4.37Å; L640-F837 HydrophobicContact CD1-CD1 4.28Å; L640-F837 HydrophobicContact CD1-CE1 3.75Å; L640-F837 HydrophobicContact CD1-CZ 4.1Å; L640-F837 HydrophobicContact CD2-CD1 4.06Å; L640-F837 HydrophobicContact CD2-CD2 3.86Å; L640-F837 HydrophobicContact CD2-CE1 3.83Å; L640-F837 HydrophobicContact CD2-CE2 3.62Å; L640-F837 HydrophobicContact CD2-CG 4.07Å; L640-F837 HydrophobicContact CD2-CZ 3.6Å; L640-F837 HydrophobicContact CG-CD1 4.39Å; L640-F837 HydrophobicContact CG-CE1 3.73Å; L640-F837 HydrophobicContact CG-CE2 4.06Å; L640-F837 HydrophobicContact CG-CZ 3.53Å
641F93.9Very high89.4Confident121 Ų12125.7 Ų25.753%0.53113%0.13SC..Hα-helixtrans-64.7-46.7173.6176.2-99.2000111.1M616 Y637 V638 L643 I644 C645M616-F641 HydrophobicContact CE-CB 4.01Å; Y637-F641 WeakPolarHBondContact O-CB 3.3Å; Y637-F641 PolarHBondContact O-N 3.27Å; V638-F641 PolarHBondContact O-N 2.59Å; F641-L643 VanDerWaalsContact C-N 3.33Å; F641-L643 PolarHBondContact O-N 3.13Å; F641-I644 WeakPolarHBondContact O-CB 3.38Å; F641-I644 PolarHBondContact O-N 2.91Å; F641-I644 VanDerWaalsContact O-N 3.12Å; F641-C645 PolarHBondContact O-N 2.89Å; F641-C645 PolarHBondContact O-SG 3.35Å; F641-C645 VanDerWaalsContact O-SG 3.38Å
642S94.3Very high90.4Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-55.6-43.7173157.40000112.4V638 I644 C645 C646 S672 C676V638-S642 VanDerWaalsContact O-CB 3.25Å; V638-S642 WeakPolarHBondContact O-CB 3.46Å; V638-S642 PolarHBondContact O-N 2.71Å; S642-I644 PolarHBondContact O-N 3.09Å; S642-C645 WeakPolarHBondContact O-CB 3.33Å; S642-C645 PolarHBondContact O-N 2.93Å; S642-C646 PolarHBondContact O-N 2.89Å; S642-C646 PolarHBondContact O-SG 3.09Å; S642-S672 PolarHBondContact OG-O 3.4Å; S642-C676 VanDerWaalsContact OG-CA 3.25Å; S642-C676 WeakPolarHBondContact OG-CA 3.07Å; S642-C676 WeakPolarHBondContact OG-CB 3.49Å; S642-C676 PolarHBondContact OG-N 3.3Å
643L92.9Very high91Very high0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-64-37175.2-77.7169.4000113.2T612 L639 L640 F641 C645 C646 F647 Q832 L833 F837T612-L643 HydrophobicContact CG2-CB 3.76Å; L639-L643 WeakPolarHBondContact O-CG 3.43Å; L639-L643 PolarHBondContact O-N 2.71Å; L639-L643 VanDerWaalsContact O-N 3.1Å; L640-L643 PolarHBondContact O-N 3.14Å; F641-L643 VanDerWaalsContact C-N 3.33Å; F641-L643 PolarHBondContact O-N 3.13Å; L643-C645 VanDerWaalsContact C-N 3.34Å; L643-C646 WeakPolarHBondContact O-CB 3.48Å; L643-C646 PolarHBondContact O-N 3.13Å; L643-F647 WeakPolarHBondContact O-CD2 3.33Å; L643-F647 PolarHBondContact O-N 3.44Å; L643-Q832 HydrophobicContact CD2-CB 3.97Å; L643-L833 HydrophobicContact CD1-CD1 4.49Å; L643-F837 HydrophobicContact CD1-CE2 4.05Å
644I95.1Very high91.4Very high37 Ų3723.7 Ų23.719%0.1912%0.123CC..Hα-helixtrans-60.6-45.4171.5-69.8163.7000110.1V609 T612 A613 M616 L640 F641 S642 C646 F647 S648V609-I644 HydrophobicContact CG1-CG2 4.34Å; T612-I644 HydrophobicContact CG2-CD1 4.34Å; T612-I644 HydrophobicContact CG2-CG1 3.66Å; A613-I644 HydrophobicContact CB-CD1 4.41Å; M616-I644 HydrophobicContact CE-CD1 4.44Å; L640-I644 WeakPolarHBondContact O-CG1 3.44Å; L640-I644 PolarHBondContact O-N 3.16Å; L640-I644 VanDerWaalsContact O-N 3.1Å; F641-I644 WeakPolarHBondContact O-CB 3.38Å; F641-I644 PolarHBondContact O-N 2.91Å; F641-I644 VanDerWaalsContact O-N 3.12Å; S642-I644 PolarHBondContact O-N 3.09Å; I644-C646 VanDerWaalsContact C-N 3.34Å; I644-C646 PolarHBondContact O-N 3.31Å; I644-F647 PolarHBondContact O-N 3.11Å; I644-S648 WeakPolarHBondContact O-CB 3.3Å; I644-S648 PolarHBondContact O-N 3.44Å; I644-S648 PolarHBondContact O-OG 3.2Å; I644-S648 VanDerWaalsContact O-OG 3.11Å
645C94.1Very high91.4Very high37 Ų3721.3 Ų21.325%0.2511%0.114CC..Hα-helixtrans-61.9-39175.9-60.80000112.5F641 S642 L643 S648 S649 S672F641-C645 PolarHBondContact O-N 2.89Å; F641-C645 PolarHBondContact O-SG 3.35Å; F641-C645 VanDerWaalsContact O-SG 3.38Å; S642-C645 WeakPolarHBondContact O-CB 3.33Å; S642-C645 PolarHBondContact O-N 2.93Å; L643-C645 VanDerWaalsContact C-N 3.34Å; C645-S648 PolarHBondContact O-N 3.25Å; C645-S649 WeakPolarHBondContact O-CB 3.37Å; C645-S649 PolarHBondContact O-N 2.93Å; C645-S672 VanDerWaalsContact CB-OG 3.32Å; C645-S672 WeakPolarHBondContact CB-OG 3.08Å
646C93.8Very high91.4Very high0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-59.5-53.6173.9-64.50000111.9S642 L643 I644 S648 S649S642-C646 PolarHBondContact O-N 2.89Å; S642-C646 PolarHBondContact O-SG 3.09Å; L643-C646 WeakPolarHBondContact O-CB 3.48Å; L643-C646 PolarHBondContact O-N 3.13Å; I644-C646 VanDerWaalsContact C-N 3.34Å; I644-C646 PolarHBondContact O-N 3.31Å; C646-S648 VanDerWaalsContact C-N 3.32Å; C646-S648 PolarHBondContact O-N 2.83Å; C646-S649 PolarHBondContact O-N 3.36Å; C646-S649 VanDerWaalsContact O-N 3.15Å; C646-S649 PolarHBondContact O-OG 3.17Å
647F94.9Very high91.2Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-62.2-36.9178.4-73.3-65.9000113G608 V609 T612 L643 I644 L826 S829 F830 L833G608-F647 WeakPolarHBondContact O-CD2 3.09Å; V609-F647 HydrophobicContact CG2-CB 3.61Å; T612-F647 WeakPolarHBondContact OG1-CE2 3.47Å; L643-F647 WeakPolarHBondContact O-CD2 3.33Å; L643-F647 PolarHBondContact O-N 3.44Å; I644-F647 PolarHBondContact O-N 3.11Å; F647-L826 HydrophobicContact CD1-CD2 3.75Å; F647-L826 HydrophobicContact CE1-CD2 4.22Å; F647-S829 VanDerWaalsContact CZ-CB 3.5Å; F647-F830 HydrophobicContact CE1-CD1 4.03Å; F647-F830 AromaticContact CE1-CD2 3.76Å; F647-F830 HydrophobicContact CE1-CD2 3.76Å; F647-F830 AromaticContact CE1-CE1 3.98Å; F647-F830 HydrophobicContact CE1-CE1 3.98Å; F647-F830 AromaticContact CE1-CE2 3.7Å; F647-F830 HydrophobicContact CE1-CE2 3.7Å; F647-F830 AromaticContact CE1-CG 3.92Å; F647-F830 HydrophobicContact CE1-CG 3.92Å; F647-F830 AromaticContact CE1-CZ 3.82Å; F647-F830 HydrophobicContact CE1-CZ 3.82Å; F647-F830 AromaticContact CZ-CD1 3.79Å; F647-F830 HydrophobicContact CZ-CD1 3.79Å; F647-F830 HydrophobicContact CZ-CD2 4.27Å; F647-F830 AromaticContact CZ-CE1 3.96Å; F647-F830 HydrophobicContact CZ-CE1 3.96Å; F647-F830 HydrophobicContact CZ-CE2 4.42Å; F647-F830 AromaticContact CZ-CG 3.94Å; F647-F830 HydrophobicContact CZ-CG 3.94Å; F647-F830 HydrophobicContact CZ-CZ 4.28Å; F647-L833 HydrophobicContact CE2-CD2 4.29Å
648S93.9Very high91Very high50 Ų5027.8 Ų27.835%0.3515%0.148SC..Hα-helixtrans-67.6-33.8174.6-64.60000112.8I644 C645 C646 S650 L651I644-S648 WeakPolarHBondContact O-CB 3.3Å; I644-S648 PolarHBondContact O-N 3.44Å; I644-S648 PolarHBondContact O-OG 3.2Å; I644-S648 VanDerWaalsContact O-OG 3.11Å; C645-S648 PolarHBondContact O-N 3.25Å; C646-S648 VanDerWaalsContact C-N 3.32Å; C646-S648 PolarHBondContact O-N 2.83Å; S648-S650 VanDerWaalsContact C-N 3.27Å; S648-S650 PolarHBondContact O-N 3.39Å; S648-L651 WeakPolarHBondContact O-CB 3.46Å; S648-L651 PolarHBondContact O-N 3.39Å; S648-L651 VanDerWaalsContact O-N 3.12Å
649S93.3Very high90.7Very high3 Ų328.6 Ų28.62%0.02115%0.151CC..Hα-helixtrans-61.9-33.2-179.571.50000112.9C645 C646 L651 I652 F653C645-S649 WeakPolarHBondContact O-CB 3.37Å; C645-S649 PolarHBondContact O-N 2.93Å; C646-S649 PolarHBondContact O-N 3.36Å; C646-S649 VanDerWaalsContact O-N 3.15Å; C646-S649 PolarHBondContact O-OG 3.17Å; S649-L651 PolarHBondContact O-N 3.5Å; S649-L651 VanDerWaalsContact O-N 3.17Å; S649-I652 WeakPolarHBondContact O-CB 3.39Å; S649-I652 WeakPolarHBondContact O-CG1 3.34Å; S649-I652 PolarHBondContact O-N 2.79Å; S649-I652 VanDerWaalsContact O-N 3.1Å; S649-F653 WeakPolarHBondContact O-CD2 3.47Å
650S92.4Very high90.5Very high1 Ų136.3 Ų36.31%0.00718%0.18CC..G310 helixtrans-56.7-27.8174-62.50000114.3S648 I652 F653 I825S648-S650 VanDerWaalsContact C-N 3.27Å; S648-S650 PolarHBondContact O-N 3.39Å; S650-I652 VanDerWaalsContact C-N 3.29Å; S650-I652 PolarHBondContact O-N 2.8Å; S650-F653 PolarHBondContact O-N 2.56Å; S650-I825 VanDerWaalsContact OG-CG2 3.26Å; S650-I825 WeakPolarHBondContact OG-CG2 3.44Å
651L91.3Very high90.3Very high48 Ų4836.9 Ų36.925%0.25118%0.184SC..G310 helixtrans-72.9-20.8-180-61.1174.9000112.7W593 A602 A605 S648 S649 F653 I654W593-L651 HydrophobicContact CH2-CB 4.27Å; W593-L651 HydrophobicContact CH2-CD2 4.08Å; W593-L651 HydrophobicContact CZ3-CD2 4.41Å; A602-L651 HydrophobicContact CB-CD2 4.32Å; A605-L651 HydrophobicContact CB-CD2 3.72Å; A605-L651 HydrophobicContact CB-CG 4.18Å; S648-L651 WeakPolarHBondContact O-CB 3.46Å; S648-L651 PolarHBondContact O-N 3.39Å; S648-L651 VanDerWaalsContact O-N 3.12Å; S649-L651 PolarHBondContact O-N 3.5Å; S649-L651 VanDerWaalsContact O-N 3.17Å; L651-F653 PolarHBondContact O-N 3.37Å; L651-I654 PolarHBondContact O-N 2.69Å
652I90.9Very high90Very high49 Ų4931.2 Ų31.225%0.25116%0.159SC..G310 helixtrans-73.5-16.8-179.8-47.5174.5000111.3S649 S650 L664 R665 A668S649-I652 WeakPolarHBondContact O-CB 3.39Å; S649-I652 WeakPolarHBondContact O-CG1 3.34Å; S649-I652 PolarHBondContact O-N 2.79Å; S649-I652 VanDerWaalsContact O-N 3.1Å; S650-I652 VanDerWaalsContact C-N 3.29Å; S650-I652 PolarHBondContact O-N 2.8Å; I652-L664 HydrophobicContact CG2-CB 4.22Å; I652-R665 HydrophobicContact CB-CG 4.34Å; I652-R665 HydrophobicContact CG2-CG 3.95Å; I652-R665 WeakPolarHBondContact O-CG 3.44Å; I652-R665 PolarHBondContact O-NE 3.27Å; I652-R665 PolarHBondContact O-NH2 2.86Å; I652-A668 HydrophobicContact CD1-CB 3.91Å
653F88Confident89.8Confident1 Ų136.1 Ų36.10%0.00418%0.177CC..G310 helixtrans-84.3-12.3178.2-68.9-105.5000113.5S649 S650 L651 R665 E821 V822 I825S649-F653 WeakPolarHBondContact O-CD2 3.47Å; S650-F653 PolarHBondContact O-N 2.56Å; L651-F653 PolarHBondContact O-N 3.37Å; F653-R665 HydrophobicContact CD1-CB 4.22Å; F653-R665 HydrophobicContact CD1-CG 4.06Å; F653-R665 HydrophobicContact CD2-CB 4.27Å; F653-R665 HydrophobicContact CD2-CG 4.03Å; F653-R665 HydrophobicContact CE1-CB 3.84Å; F653-R665 HydrophobicContact CE1-CG 4.21Å; F653-R665 HydrophobicContact CE2-CB 3.89Å; F653-R665 HydrophobicContact CE2-CG 4.17Å; F653-R665 HydrophobicContact CG-CB 4.43Å; F653-R665 HydrophobicContact CG-CG 3.98Å; F653-R665 HydrophobicContact CZ-CB 3.67Å; F653-R665 HydrophobicContact CZ-CG 4.27Å; F653-R665 PolarHBondContact O-NH2 2.98Å; F653-E821 HydrophobicContact CD1-CB 4.32Å; F653-E821 HydrophobicContact CE1-CB 4.12Å; F653-E821 WeakPolarHBondContact CE1-OE2 3.32Å; F653-V822 HydrophobicContact CB-CG2 3.39Å; F653-V822 HydrophobicContact CD1-CG2 4.39Å; F653-V822 HydrophobicContact CD2-CG2 4.3Å; F653-V822 HydrophobicContact CG-CG2 3.81Å; F653-I825 HydrophobicContact CE2-CD1 3.86Å; F653-I825 HydrophobicContact CZ-CD1 3.86Å
654I89.3Confident89.7Confident9 Ų940.2 Ų40.25%0.04620%0.199CC..SBendtrans-102.4137.4-175.2-52.1176000109.9W593 L601 A602 L651W593-I654 HydrophobicContact CD2-CB 4.34Å; W593-I654 HydrophobicContact CD2-CG2 3.64Å; W593-I654 HydrophobicContact CE3-CG2 3.95Å; W593-I654 HydrophobicContact CG-CG2 4.02Å; W593-I654 HydrophobicContact CH2-CB 4.09Å; W593-I654 HydrophobicContact CH2-CG2 4.32Å; W593-I654 HydrophobicContact CZ2-CB 3.77Å; W593-I654 HydrophobicContact CZ2-CG2 4.02Å; W593-I654 WeakPolarHBondContact CZ2-O 3.32Å; W593-I654 HydrophobicContact CZ3-CB 4.5Å; W593-I654 HydrophobicContact CZ3-CG2 4.29Å; W593-I654 PolarHBondContact NE1-O 2.77Å; L601-I654 HydrophobicContact CB-CD1 4.08Å; A602-I654 HydrophobicContact CB-CD1 3.98Å; L651-I654 PolarHBondContact O-N 2.69Å
655G84.9Confident89.5Confident6 Ų638.8 Ų38.86%0.06219%0.191CC..SBendtrans95.4-178.2-175.800000114.2L591L591-G655 WeakPolarHBondContact O-CA 3.33Å; L591-G655 PolarHBondContact O-N 3.44Å
656E84Confident89.3Confident95 Ų9537.3 Ų37.344%0.44418%0.181SC..  trans-59125-173.6-169.6-179.6179.200111.5F590 L658F590-E656 HydrophobicContact CD2-CB 4.37Å; F590-E656 HydrophobicContact CE2-CB 4.15Å; F590-E656 HydrophobicContact CZ-CB 4.3Å; E656-L658 VanDerWaalsContact C-N 3.33Å; E656-L658 PolarHBondContact O-N 2.89Å
657P83.7Confident89.2Confident8 Ų837.7 Ų37.75%0.05218%0.183CC..  trans-77.281.3-177.131.6-35.3000111.3S735 I747P657-S735 WeakPolarHBondContact O-CB 3.08Å; P657-I747 HydrophobicContact CG-CB 3.98Å; P657-I747 HydrophobicContact CG-CG2 3.67Å
658L85.8Confident89.1Confident76 Ų7639 Ų3940%0.39819%0.194SC..  trans-73.2147.9168.2-60172000110.1E656 W660 T661 C662E656-L658 VanDerWaalsContact C-N 3.33Å; E656-L658 PolarHBondContact O-N 2.89Å; L658-W660 HydrophobicContact CD1-CZ2 4.38Å; L658-W660 PolarHBondContact O-N 2.94Å; L658-T661 HydrophobicContact CB-CG2 4.26Å; L658-T661 PolarHBondContact N-OG1 3.35Å; L658-T661 WeakPolarHBondContact O-CA 3.42Å; L658-T661 WeakPolarHBondContact O-CB 3.5Å; L658-T661 PolarHBondContact O-N 3.38Å; L658-T661 PolarHBondContact O-OG1 3.14Å; L658-C662 PolarHBondContact O-N 3.14Å; L658-C662 VanDerWaalsContact O-N 3.13Å
659D85.4Confident89Confident58 Ų5836.8 Ų36.831%0.3118%0.178SC..Hα-helixtrans-45.6-43.3-179.4-89.623.7000114.5T661 C662 R663 S735D659-T661 VanDerWaalsContact C-N 3.32Å; D659-T661 PolarHBondContact O-N 2.61Å; D659-C662 PolarHBondContact O-N 2.84Å; D659-R663 WeakPolarHBondContact O-CG 3.29Å; D659-R663 PolarHBondContact O-N 2.96Å; D659-R663 VanDerWaalsContact O-N 3.12Å; D659-R663 IonicContact OD2-NH2 2.76Å; D659-R663 PolarHBondContact OD2-NH2 2.86Å; D659-S735 VanDerWaalsContact OD1-CB 3.29Å; D659-S735 WeakPolarHBondContact OD1-CB 3.42Å; D659-S735 PolarHBondContact OD1-N 3.49Å; D659-S735 PolarHBondContact OD1-OG 3.21Å
660W85.7Confident88.9Confident164 Ų16436.7 Ų36.762%0.62118%0.177SC*.Hα-helixtrans-69.5-28.1179.569.3-95000112.8L658 L664L658-W660 HydrophobicContact CD1-CZ2 4.38Å; L658-W660 PolarHBondContact O-N 2.94Å; W660-L664 HydrophobicContact CE3-CD1 4Å; W660-L664 HydrophobicContact CZ3-CD1 4.33Å; W660-L664 VanDerWaalsContact O-CG 3.31Å; W660-L664 WeakPolarHBondContact O-CG 3.1Å; W660-L664 PolarHBondContact O-N 3.33Å
661T87.9Confident89Confident12 Ų1239 Ų397%0.07419%0.189CC..Hα-helixtrans-72-45.9172.771.90000110.4L658 D659 R663 L664 R665L658-T661 HydrophobicContact CB-CG2 4.26Å; L658-T661 PolarHBondContact N-OG1 3.35Å; L658-T661 WeakPolarHBondContact O-CA 3.42Å; L658-T661 WeakPolarHBondContact O-CB 3.5Å; L658-T661 PolarHBondContact O-N 3.38Å; L658-T661 PolarHBondContact O-OG1 3.14Å; D659-T661 VanDerWaalsContact C-N 3.32Å; D659-T661 PolarHBondContact O-N 2.61Å; T661-R663 VanDerWaalsContact C-N 3.31Å; T661-R663 PolarHBondContact O-N 2.75Å; T661-L664 PolarHBondContact O-N 3.44Å; T661-R665 WeakPolarHBondContact O-CG 3.37Å; T661-R665 PolarHBondContact O-N 3.18Å
662C88.7Confident89.1Confident1 Ų137.7 Ų37.71%0.00718%0.184CC..Hα-helixtrans-56.2-45178.5-61.10000111.5L658 D659 L664 P733 C749L658-C662 PolarHBondContact O-N 3.14Å; L658-C662 VanDerWaalsContact O-N 3.13Å; D659-C662 PolarHBondContact O-N 2.84Å; C662-L664 PolarHBondContact O-N 2.85Å; C662-P733 HydrophobicContact CB-CB 3.98Å; C662-C749 WeakPolarHBondContact CA-SG 2.93Å; C662-C749 HydrophobicContact CB-CB 3.69Å; C662-C749 WeakPolarHBondContact CB-SG 3.49Å; C662-C749 VanDerWaalsContact SG-CA 3.57Å; C662-C749 WeakPolarHBondContact SG-CB 3.21Å; C662-C749 CovalentContact SG-SG 2.04Å; C662-C749 PolarHBondContact SG-SG 2.88Å
663R90.5Very high89.2Confident103 Ų10335.4 Ų35.439%0.38917%0.172SC..Hα-helixtrans-67.4-16.3177.4-64.2173.5-159.8178.312.1114.4D659 T661 L728 P732 P733D659-R663 WeakPolarHBondContact O-CG 3.29Å; D659-R663 PolarHBondContact O-N 2.96Å; D659-R663 VanDerWaalsContact O-N 3.12Å; D659-R663 IonicContact OD2-NH2 2.76Å; D659-R663 PolarHBondContact OD2-NH2 2.86Å; T661-R663 VanDerWaalsContact C-N 3.31Å; T661-R663 PolarHBondContact O-N 2.75Å; R663-L728 HydrophobicContact CB-CD2 3.98Å; R663-L728 HydrophobicContact CG-CD2 4.26Å; R663-P732 HydrophobicContact CG-CB 4.42Å; R663-P733 WeakPolarHBondContact CG-O 3.14Å; R663-P733 PolarHBondContact NE-O 3.03Å
664L89.9Confident89.5Confident86 Ų8635.3 Ų35.345%0.4517%0.172SC..Hα-helixtrans-101.5-31.2180-71.7177.5000114I652 W660 T661 C662 A668I652-L664 HydrophobicContact CG2-CB 4.22Å; W660-L664 HydrophobicContact CE3-CD1 4Å; W660-L664 HydrophobicContact CZ3-CD1 4.33Å; W660-L664 VanDerWaalsContact O-CG 3.31Å; W660-L664 WeakPolarHBondContact O-CG 3.1Å; W660-L664 PolarHBondContact O-N 3.33Å; T661-L664 PolarHBondContact O-N 3.44Å; C662-L664 PolarHBondContact O-N 2.85Å; L664-A668 WeakPolarHBondContact O-CB 3.49Å; L664-A668 PolarHBondContact O-N 2.93Å
665R90.5Very high89.7Confident7 Ų736.7 Ų36.73%0.02618%0.179CC..Hα-helixtrans-45.8-68.7-175.1-81.3171.1-171.2-157.8-1.7113.2I652 F653 T661 F669I652-R665 HydrophobicContact CB-CG 4.34Å; I652-R665 HydrophobicContact CG2-CG 3.95Å; I652-R665 WeakPolarHBondContact O-CG 3.44Å; I652-R665 PolarHBondContact O-NE 3.27Å; I652-R665 PolarHBondContact O-NH2 2.86Å; F653-R665 HydrophobicContact CD1-CB 4.22Å; F653-R665 HydrophobicContact CD1-CG 4.06Å; F653-R665 HydrophobicContact CD2-CB 4.27Å; F653-R665 HydrophobicContact CD2-CG 4.03Å; F653-R665 HydrophobicContact CE1-CB 3.84Å; F653-R665 HydrophobicContact CE1-CG 4.21Å; F653-R665 HydrophobicContact CE2-CB 3.89Å; F653-R665 HydrophobicContact CE2-CG 4.17Å; F653-R665 HydrophobicContact CG-CB 4.43Å; F653-R665 HydrophobicContact CG-CG 3.98Å; F653-R665 HydrophobicContact CZ-CB 3.67Å; F653-R665 HydrophobicContact CZ-CG 4.27Å; F653-R665 PolarHBondContact O-NH2 2.98Å; T661-R665 WeakPolarHBondContact O-CG 3.37Å; T661-R665 PolarHBondContact O-N 3.18Å; R665-F669 PolarHBondContact O-N 3.32Å
666Q90.6Very high90.1Very high7 Ų736.4 Ų36.43%0.03318%0.176CC..Hα-helixtrans-70.6-43.6-174.6-49.7-71.3500113.1A668 F669 G670 W727 E751 L757 E821Q666-A668 PolarHBondContact O-N 2.98Å; Q666-F669 PolarHBondContact O-N 2.89Å; Q666-G670 PolarHBondContact O-N 3.44Å; Q666-W727 HydrophobicContact CB-CH2 3.75Å; Q666-W727 HydrophobicContact CB-CZ3 3.76Å; Q666-W727 HydrophobicContact CG-CH2 3.88Å; Q666-W727 HydrophobicContact CG-CZ3 4.4Å; Q666-E751 VanDerWaalsContact CG-OE1 3.3Å; Q666-E751 WeakPolarHBondContact CG-OE1 3.48Å; Q666-E751 PolarHBondContact NE2-OE1 2.96Å; Q666-L757 HydrophobicContact CB-CD1 4.48Å; Q666-L757 HydrophobicContact CG-CD1 4.13Å; Q666-E821 PolarHBondContact NE2-OE1 3.27Å
667P92.1Very high90.5Very high8 Ų831.9 Ų31.95%0.05216%0.155CC..Hα-helixtrans-64-38178.4-26.838.7000114.1G670 I671 C724 L728P667-G670 PolarHBondContact O-N 3.45Å; P667-I671 WeakPolarHBondContact O-CB 3.34Å; P667-I671 VanDerWaalsContact O-CG1 3.3Å; P667-I671 WeakPolarHBondContact O-CG1 3.39Å; P667-I671 PolarHBondContact O-N 2.97Å; P667-C724 HydrophobicContact CB-CB 4.1Å; P667-L728 HydrophobicContact CG-CD1 4.24Å; P667-L728 HydrophobicContact CG-CG 4.49Å
668A92.1Very high90.9Very high28 Ų2831.5 Ų31.523%0.23115%0.152CC..Hα-helixtrans-64.8-42.4179.800000111.7I652 L664 Q666 S672I652-A668 HydrophobicContact CD1-CB 3.91Å; L664-A668 WeakPolarHBondContact O-CB 3.49Å; L664-A668 PolarHBondContact O-N 2.93Å; Q666-A668 PolarHBondContact O-N 2.98Å; A668-S672 VanDerWaalsContact O-CB 3.24Å; A668-S672 WeakPolarHBondContact O-CB 3.42Å; A668-S672 PolarHBondContact O-N 3.29Å; A668-S672 PolarHBondContact O-OG 3.12Å
669F91.8Very high91.1Very high3 Ų327.9 Ų27.91%0.01313%0.134CC..Hα-helixtrans-64.3-56.1171.7168-112.1000111.3R665 Q666 I671 S672 F673 W802 I825R665-F669 PolarHBondContact O-N 3.32Å; Q666-F669 PolarHBondContact O-N 2.89Å; F669-I671 PolarHBondContact O-N 3.33Å; F669-S672 PolarHBondContact O-N 2.94Å; F669-S672 VanDerWaalsContact O-N 3.17Å; F669-F673 HydrophobicContact CD2-CB 4.11Å; F669-F673 HydrophobicContact CE2-CB 3.58Å; F669-F673 HydrophobicContact CE2-CD1 4.41Å; F669-F673 AromaticContact CE2-CD2 3.62Å; F669-F673 HydrophobicContact CE2-CD2 3.62Å; F669-F673 HydrophobicContact CE2-CE2 4.4Å; F669-F673 AromaticContact CE2-CG 3.62Å; F669-F673 HydrophobicContact CE2-CG 3.62Å; F669-F673 HydrophobicContact CZ-CB 3.84Å; F669-F673 HydrophobicContact CZ-CD1 4.02Å; F669-F673 AromaticContact CZ-CD2 4Å; F669-F673 HydrophobicContact CZ-CD2 4Å; F669-F673 AromaticContact CZ-CG 3.69Å; F669-F673 HydrophobicContact CZ-CG 3.69Å; F669-F673 VanDerWaalsContact O-CB 3.31Å; F669-F673 WeakPolarHBondContact O-CB 3.36Å; F669-F673 PolarHBondContact O-N 3.25Å; F669-W802 HydrophobicContact CD1-CH2 4.41Å; F669-W802 AromaticContact CE1-CH2 3.56Å; F669-W802 HydrophobicContact CE1-CH2 3.56Å; F669-W802 AromaticContact CE1-CZ2 3.48Å; F669-W802 HydrophobicContact CE1-CZ2 3.48Å; F669-W802 VanDerWaalsContact CE1-CZ2 3.48Å; F669-W802 HydrophobicContact CZ-CH2 4.12Å; F669-W802 AromaticContact CZ-CZ2 3.53Å; F669-W802 HydrophobicContact CZ-CZ2 3.53Å; F669-I825 HydrophobicContact CB-CD1 4.11Å; F669-I825 HydrophobicContact CD1-CD1 4.19Å; F669-I825 HydrophobicContact CD1-CG1 4.1Å; F669-I825 HydrophobicContact CD2-CB 4.22Å; F669-I825 HydrophobicContact CD2-CD1 4.05Å; F669-I825 HydrophobicContact CD2-CG1 3.73Å; F669-I825 HydrophobicContact CD2-CG2 3.55Å; F669-I825 HydrophobicContact CE1-CG1 4.21Å; F669-I825 HydrophobicContact CE2-CB 4.2Å; F669-I825 HydrophobicContact CE2-CG1 3.84Å; F669-I825 HydrophobicContact CE2-CG2 3.74Å; F669-I825 HydrophobicContact CG-CD1 3.81Å; F669-I825 HydrophobicContact CG-CG1 3.88Å; F669-I825 HydrophobicContact CG-CG2 4.41Å; F669-I825 HydrophobicContact CZ-CG1 4.09Å
670G91.8Very high91.3Very high0 Ų025.2 Ų25.20%012%0.119CC..Hα-helixtrans-57.9-45.8-172.400000113.6Q666 P667 F673 V674Q666-G670 PolarHBondContact O-N 3.44Å; P667-G670 PolarHBondContact O-N 3.45Å; G670-F673 PolarHBondContact O-N 3.48Å; G670-V674 WeakPolarHBondContact O-CB 3.47Å; G670-V674 WeakPolarHBondContact O-CG2 3.41Å; G670-V674 PolarHBondContact O-N 3.34Å
671I93.9Very high91.5Very high51 Ų5118.2 Ų18.226%0.2629%0.094SC..Hα-helixtrans-66.1-44.8177.9-64.2165.7000110.8P667 F669 F673 L675 T717 Q720 V721 C724P667-I671 WeakPolarHBondContact O-CB 3.34Å; P667-I671 VanDerWaalsContact O-CG1 3.3Å; P667-I671 WeakPolarHBondContact O-CG1 3.39Å; P667-I671 PolarHBondContact O-N 2.97Å; F669-I671 PolarHBondContact O-N 3.33Å; I671-F673 VanDerWaalsContact C-N 3.31Å; I671-F673 PolarHBondContact O-N 3.45Å; I671-L675 WeakPolarHBondContact O-CB 3.27Å; I671-L675 PolarHBondContact O-N 2.9Å; I671-L675 VanDerWaalsContact O-N 3.1Å; I671-T717 HydrophobicContact CG2-CG2 4.26Å; I671-Q720 HydrophobicContact CG1-CG 4.26Å; I671-V721 HydrophobicContact CD1-CG2 4.13Å; I671-V721 HydrophobicContact CG1-CG2 4.16Å; I671-V721 HydrophobicContact CG2-CG2 4.06Å; I671-C724 HydrophobicContact CD1-CB 4.22Å
672S94.1Very high91.4Very high20 Ų2018 Ų1814%0.149%0.092CC..Hα-helixtrans-61.7-39.9179-59.60000112.1S642 C645 A668 F669 L675 C676S642-S672 PolarHBondContact OG-O 3.4Å; C645-S672 VanDerWaalsContact CB-OG 3.32Å; C645-S672 WeakPolarHBondContact CB-OG 3.08Å; A668-S672 VanDerWaalsContact O-CB 3.24Å; A668-S672 WeakPolarHBondContact O-CB 3.42Å; A668-S672 PolarHBondContact O-N 3.29Å; A668-S672 PolarHBondContact O-OG 3.12Å; F669-S672 PolarHBondContact O-N 2.94Å; F669-S672 VanDerWaalsContact O-N 3.17Å; S672-L675 WeakPolarHBondContact O-CB 3.42Å; S672-C676 PolarHBondContact O-N 3.06Å
673F92.1Very high91.1Very high0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-83-34.1-174.7-164.9-95.9000113.1F669 G670 I671 L675 C676 I677 T764 F798 Q832F669-F673 HydrophobicContact CD2-CB 4.11Å; F669-F673 HydrophobicContact CE2-CB 3.58Å; F669-F673 HydrophobicContact CE2-CD1 4.41Å; F669-F673 AromaticContact CE2-CD2 3.62Å; F669-F673 HydrophobicContact CE2-CD2 3.62Å; F669-F673 HydrophobicContact CE2-CE2 4.4Å; F669-F673 AromaticContact CE2-CG 3.62Å; F669-F673 HydrophobicContact CE2-CG 3.62Å; F669-F673 HydrophobicContact CZ-CB 3.84Å; F669-F673 HydrophobicContact CZ-CD1 4.02Å; F669-F673 AromaticContact CZ-CD2 4Å; F669-F673 HydrophobicContact CZ-CD2 4Å; F669-F673 AromaticContact CZ-CG 3.69Å; F669-F673 HydrophobicContact CZ-CG 3.69Å; F669-F673 VanDerWaalsContact O-CB 3.31Å; F669-F673 WeakPolarHBondContact O-CB 3.36Å; F669-F673 PolarHBondContact O-N 3.25Å; G670-F673 PolarHBondContact O-N 3.48Å; I671-F673 VanDerWaalsContact C-N 3.31Å; I671-F673 PolarHBondContact O-N 3.45Å; F673-L675 VanDerWaalsContact C-N 3.3Å; F673-L675 PolarHBondContact O-N 3.48Å; F673-C676 VanDerWaalsContact O-CB 3.27Å; F673-C676 WeakPolarHBondContact O-CB 3.21Å; F673-C676 PolarHBondContact O-N 3.25Å; F673-I677 HydrophobicContact CD1-CD1 3.8Å; F673-I677 HydrophobicContact CD1-CG1 4.4Å; F673-I677 HydrophobicContact CE1-CD1 3.48Å; F673-I677 VanDerWaalsContact CE1-CD1 3.48Å; F673-I677 HydrophobicContact CE1-CG1 4.15Å; F673-I677 HydrophobicContact CZ-CD1 4.42Å; F673-I677 PolarHBondContact O-N 2.9Å; F673-T764 HydrophobicContact CD1-CG2 3.63Å; F673-T764 HydrophobicContact CE1-CG2 4Å; F673-F798 HydrophobicContact CD1-CE2 4.33Å; F673-F798 AromaticContact CE1-CD2 3.61Å; F673-F798 HydrophobicContact CE1-CD2 3.61Å; F673-F798 AromaticContact CE1-CE2 3.26Å; F673-F798 HydrophobicContact CE1-CE2 3.26Å; F673-F798 HydrophobicContact CE1-CZ 4.01Å; F673-F798 AromaticContact CZ-CD2 3.45Å; F673-F798 HydrophobicContact CZ-CD2 3.45Å; F673-F798 VanDerWaalsContact CZ-CD2 3.45Å; F673-F798 AromaticContact CZ-CE2 3.6Å; F673-F798 HydrophobicContact CZ-CE2 3.6Å; F673-F798 HydrophobicContact CZ-CG 4.42Å; F673-Q832 VanDerWaalsContact CE2-NE2 3.28Å; F673-Q832 VanDerWaalsContact CE2-OE1 3.31Å
674V94.7Very high90.7Very high0 Ų014 Ų140%08%0.078CC..Hα-helixtrans-63.3-37.2168.1163.90000111.2G670 C676 I677 S678 Q720 Y763 T764 L767G670-V674 WeakPolarHBondContact O-CB 3.47Å; G670-V674 WeakPolarHBondContact O-CG2 3.41Å; G670-V674 PolarHBondContact O-N 3.34Å; V674-C676 VanDerWaalsContact C-N 3.31Å; V674-C676 PolarHBondContact O-N 3.31Å; V674-I677 PolarHBondContact O-N 3.32Å; V674-S678 WeakPolarHBondContact O-CB 3.33Å; V674-S678 PolarHBondContact O-N 3.18Å; V674-S678 PolarHBondContact O-OG 2.84Å; V674-Q720 HydrophobicContact CB-CB 4.05Å; V674-Q720 HydrophobicContact CB-CG 4.09Å; V674-Q720 HydrophobicContact CG1-CB 3.87Å; V674-Q720 HydrophobicContact CG1-CG 4.46Å; V674-Q720 HydrophobicContact CG2-CB 4.01Å; V674-Q720 HydrophobicContact CG2-CG 3.79Å; V674-Y763 HydrophobicContact CG1-CE1 4.01Å; V674-Y763 HydrophobicContact CG2-CD1 4.12Å; V674-Y763 HydrophobicContact CG2-CE1 4.31Å; V674-T764 HydrophobicContact CG2-CG2 4.42Å; V674-L767 HydrophobicContact CG1-CD2 3.91Å
675L93.7Very high90.1Very high37 Ų3711.7 Ų11.719%0.1947%0.066CC..Hα-helixtrans-60.7-40.7172.8-178.960.3000111.5V638 I671 S672 F673 S678 C679 V713 T717V638-L675 HydrophobicContact CG1-CD1 4.02Å; V638-L675 HydrophobicContact CG1-CD2 4.28Å; V638-L675 HydrophobicContact CG1-CG 4.24Å; I671-L675 WeakPolarHBondContact O-CB 3.27Å; I671-L675 PolarHBondContact O-N 2.9Å; I671-L675 VanDerWaalsContact O-N 3.1Å; S672-L675 WeakPolarHBondContact O-CB 3.42Å; F673-L675 VanDerWaalsContact C-N 3.3Å; F673-L675 PolarHBondContact O-N 3.48Å; L675-S678 PolarHBondContact O-N 3.04Å; L675-C679 PolarHBondContact O-N 3.36Å; L675-V713 HydrophobicContact CD1-CG1 3.56Å; L675-T717 HydrophobicContact CB-CG2 4.11Å; L675-T717 HydrophobicContact CD1-CG2 4.4Å
676C92.9Very high89.4Confident0 Ų015.6 Ų15.60%08%0.081CC..Hα-helixtrans-58.3-56.6175.2-174.40000111.2L639 S642 S672 F673 V674 S678 C679 I680 Q832L639-C676 HydrophobicContact CD1-CB 4.25Å; L639-C676 WeakPolarHBondContact CD1-SG 3.27Å; S642-C676 VanDerWaalsContact OG-CA 3.25Å; S642-C676 WeakPolarHBondContact OG-CA 3.07Å; S642-C676 WeakPolarHBondContact OG-CB 3.49Å; S642-C676 PolarHBondContact OG-N 3.3Å; S672-C676 PolarHBondContact O-N 3.06Å; F673-C676 VanDerWaalsContact O-CB 3.27Å; F673-C676 WeakPolarHBondContact O-CB 3.21Å; F673-C676 PolarHBondContact O-N 3.25Å; V674-C676 VanDerWaalsContact C-N 3.31Å; V674-C676 PolarHBondContact O-N 3.31Å; C676-S678 VanDerWaalsContact C-N 3.3Å; C676-S678 PolarHBondContact O-N 3.02Å; C676-C679 PolarHBondContact O-N 2.82Å; C676-I680 WeakPolarHBondContact O-CG1 3.19Å; C676-I680 PolarHBondContact O-N 2.84Å; C676-I680 VanDerWaalsContact O-N 3.14Å; C676-Q832 PolarHBondContact SG-OE1 3.04Å
677I91.9Very high88.4Confident0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-61.7-40-179.7-64.6169.9000110.6F673 V674 C679 I680 L681 T764 L767 A768 C771 M795F673-I677 HydrophobicContact CD1-CD1 3.8Å; F673-I677 HydrophobicContact CD1-CG1 4.4Å; F673-I677 HydrophobicContact CE1-CD1 3.48Å; F673-I677 VanDerWaalsContact CE1-CD1 3.48Å; F673-I677 HydrophobicContact CE1-CG1 4.15Å; F673-I677 HydrophobicContact CZ-CD1 4.42Å; F673-I677 PolarHBondContact O-N 2.9Å; V674-I677 PolarHBondContact O-N 3.32Å; I677-C679 PolarHBondContact O-N 3.14Å; I677-I680 CarbonylContact O-C 3.58Å; I677-I680 PolarHBondContact O-N 3.27Å; I677-I680 VanDerWaalsContact O-N 3.11Å; I677-L681 VanDerWaalsContact O-CB 3.29Å; I677-L681 WeakPolarHBondContact O-CB 3.43Å; I677-L681 PolarHBondContact O-N 3.4Å; I677-T764 HydrophobicContact CD1-CG2 4.12Å; I677-L767 HydrophobicContact CB-CD2 4.13Å; I677-L767 HydrophobicContact CG2-CB 4.21Å; I677-L767 HydrophobicContact CG2-CD2 3.86Å; I677-L767 HydrophobicContact CG2-CG 3.74Å; I677-A768 HydrophobicContact CD1-CB 3.96Å; I677-C771 HydrophobicContact CG2-CB 3.97Å; I677-M795 HydrophobicContact CG1-CE 4.37Å
678S92.9Very high87.4Confident0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-58.6-45.1177.4-62.70000111.9V674 L675 C676 I680 L681 V682 C716V674-S678 WeakPolarHBondContact O-CB 3.33Å; V674-S678 PolarHBondContact O-N 3.18Å; V674-S678 PolarHBondContact O-OG 2.84Å; L675-S678 PolarHBondContact O-N 3.04Å; C676-S678 VanDerWaalsContact C-N 3.3Å; C676-S678 PolarHBondContact O-N 3.02Å; S678-I680 VanDerWaalsContact C-N 3.35Å; S678-I680 PolarHBondContact O-N 2.86Å; S678-L681 PolarHBondContact O-N 3.41Å; S678-V682 WeakPolarHBondContact O-CG2 3.34Å; S678-V682 PolarHBondContact O-N 3.12Å; S678-C716 WeakPolarHBondContact OG-CB 3.38Å
679C90.8Very high86.2Confident1 Ų120.3 Ų20.31%0.00710%0.104CC..Hα-helixtrans-61.3-40.4174-75.40000112.6L639 L675 C676 I677 K683L639-C679 HydrophobicContact CB-CB 4.08Å; L639-C679 HydrophobicContact CD1-CB 4.15Å; L675-C679 PolarHBondContact O-N 3.36Å; C676-C679 PolarHBondContact O-N 2.82Å; I677-C679 PolarHBondContact O-N 3.14Å; C679-K683 WeakPolarHBondContact O-CB 3.3Å; C679-K683 PolarHBondContact O-N 3.23Å; C679-K683 VanDerWaalsContact O-N 3.11Å
680I89.1Confident85Confident1 Ų124.7 Ų24.71%0.00513%0.13CC..Hα-helixtrans-69.6-40.1178.2-59164.1000111.2L639 C676 I677 S678 K683 T684 C771 I791 M795 I836L639-I680 HydrophobicContact CD1-CD1 4.11Å; L639-I680 HydrophobicContact CD1-CG1 3.84Å; L639-I680 HydrophobicContact CD2-CG1 4.05Å; C676-I680 WeakPolarHBondContact O-CG1 3.19Å; C676-I680 PolarHBondContact O-N 2.84Å; C676-I680 VanDerWaalsContact O-N 3.14Å; I677-I680 CarbonylContact O-C 3.58Å; I677-I680 PolarHBondContact O-N 3.27Å; I677-I680 VanDerWaalsContact O-N 3.11Å; S678-I680 VanDerWaalsContact C-N 3.35Å; S678-I680 PolarHBondContact O-N 2.86Å; I680-K683 PolarHBondContact O-N 2.85Å; I680-T684 HydrophobicContact CG2-CG2 4.43Å; I680-T684 WeakPolarHBondContact O-CB 3.45Å; I680-T684 WeakPolarHBondContact O-CG2 3.29Å; I680-T684 PolarHBondContact O-N 3.35Å; I680-T684 PolarHBondContact O-OG1 3.18Å; I680-C771 VanDerWaalsContact CG2-SG 3.56Å; I680-I791 HydrophobicContact CG2-CD1 4.14Å; I680-I791 HydrophobicContact CG2-CG1 4.21Å; I680-I791 HydrophobicContact CG2-CG2 3.49Å; I680-I791 VanDerWaalsContact CG2-CG2 3.49Å; I680-M795 HydrophobicContact CD1-CE 3.67Å; I680-M795 HydrophobicContact CG2-CE 4.49Å; I680-I836 HydrophobicContact CD1-CD1 3.51Å; I680-I836 HydrophobicContact CG1-CD1 4.03Å
681L88.7Confident83.5Confident17 Ų1728.2 Ų28.29%0.08915%0.146CC..Hα-helixtrans-63-49.4177.7174.158.3000111.6I677 S678 K683 T684 N685 L767 I770 C771 F774I677-L681 VanDerWaalsContact O-CB 3.29Å; I677-L681 WeakPolarHBondContact O-CB 3.43Å; I677-L681 PolarHBondContact O-N 3.4Å; S678-L681 PolarHBondContact O-N 3.41Å; L681-K683 VanDerWaalsContact C-N 3.32Å; L681-K683 PolarHBondContact O-N 3.28Å; L681-T684 PolarHBondContact O-N 2.83Å; L681-T684 PolarHBondContact O-OG1 2.94Å; L681-T684 VanDerWaalsContact O-OG1 3.06Å; L681-N685 VanDerWaalsContact O-CB 3.25Å; L681-N685 WeakPolarHBondContact O-CB 3.32Å; L681-N685 PolarHBondContact O-N 2.92Å; L681-L767 HydrophobicContact CD2-CD1 3.59Å; L681-L767 HydrophobicContact CD2-CG 4.26Å; L681-I770 HydrophobicContact CD1-CG2 3.9Å; L681-I770 HydrophobicContact CD2-CG2 4.36Å; L681-C771 HydrophobicContact CB-CB 4.39Å; L681-C771 HydrophobicContact CD1-CB 4.47Å; L681-F774 HydrophobicContact CD1-CD2 3.51Å; L681-F774 HydrophobicContact CD1-CE2 3.96Å
682V87Confident82Confident7 Ų729.8 Ų29.84%0.04215%0.152CC..Hα-helixtrans-64.5-39.1177.6174.80000111.2L635 S678 R686 Q709 L712 V713L635-V682 HydrophobicContact CD1-CG1 4.29Å; S678-V682 WeakPolarHBondContact O-CG2 3.34Å; S678-V682 PolarHBondContact O-N 3.12Å; V682-R686 WeakPolarHBondContact O-CB 3.11Å; V682-R686 PolarHBondContact O-N 3.11Å; V682-Q709 HydrophobicContact CG1-CB 3.76Å; V682-Q709 HydrophobicContact CG1-CG 4Å; V682-L712 HydrophobicContact CG2-CB 3.96Å; V682-L712 HydrophobicContact CG2-CD2 3.8Å; V682-L712 HydrophobicContact CG2-CG 3.68Å; V682-V713 HydrophobicContact CB-CG2 3.99Å; V682-V713 HydrophobicContact CG1-CG2 4.44Å; V682-V713 HydrophobicContact CG2-CG2 3.66Å
683K82.1Confident80Confident15 Ų1533 Ų337%0.06518%0.18CC..Hα-helixtrans-65.2-40.3176.9-175.5176.8174.7-170.10112.9C679 I680 L681 V687 E787C679-K683 WeakPolarHBondContact O-CB 3.3Å; C679-K683 PolarHBondContact O-N 3.23Å; C679-K683 VanDerWaalsContact O-N 3.11Å; I680-K683 PolarHBondContact O-N 2.85Å; L681-K683 VanDerWaalsContact C-N 3.32Å; L681-K683 PolarHBondContact O-N 3.28Å; K683-V687 PolarHBondContact O-N 2.96Å; K683-E787 WeakPolarHBondContact CE-OE1 3.42Å; K683-E787 IonicContact NZ-OE1 2.62Å; K683-E787 PolarHBondContact NZ-OE1 2.92Å
684T81.4Confident77.9Confident5 Ų542 Ų423%0.03122%0.219CC..Hα-helixtrans-75.7-40.2177.248.40000112.7I680 L681 R686 V687 L688 A775 I791I680-T684 HydrophobicContact CG2-CG2 4.43Å; I680-T684 WeakPolarHBondContact O-CB 3.45Å; I680-T684 WeakPolarHBondContact O-CG2 3.29Å; I680-T684 PolarHBondContact O-N 3.35Å; I680-T684 PolarHBondContact O-OG1 3.18Å; L681-T684 PolarHBondContact O-N 2.83Å; L681-T684 PolarHBondContact O-OG1 2.94Å; L681-T684 VanDerWaalsContact O-OG1 3.06Å; T684-R686 VanDerWaalsContact C-N 3.32Å; T684-R686 PolarHBondContact O-N 3.31Å; T684-V687 PolarHBondContact O-N 3.4Å; T684-V687 VanDerWaalsContact O-N 3.12Å; T684-L688 PolarHBondContact O-N 2.94Å; T684-L688 VanDerWaalsContact O-N 3.1Å; T684-A775 HydrophobicContact CG2-CB 4.22Å; T684-I791 HydrophobicContact CG2-CD1 3.79Å; T684-I791 HydrophobicContact CG2-CG2 4.14Å
685N77.9Confident75.8Confident38 Ų3846.7 Ų46.720%0.20324%0.243CC..Hα-helixtrans-60.5-41.1174.2-171.315000111.6L681 V687 L688 L689L681-N685 VanDerWaalsContact O-CB 3.25Å; L681-N685 WeakPolarHBondContact O-CB 3.32Å; L681-N685 PolarHBondContact O-N 2.92Å; N685-V687 VanDerWaalsContact C-N 3.3Å; N685-V687 PolarHBondContact O-N 2.89Å; N685-L688 PolarHBondContact O-N 2.8Å; N685-L689 PolarHBondContact O-N 3.01Å; N685-L689 WeakPolarHBondContact OD1-CD1 3.38Å
686R75.6Confident73.4Confident90 Ų9050 Ų5034%0.3427%0.267SS..Hα-helixtrans-56-41.5172.4177.1-176.8175.4-121.6-3.1112.7V682 T684 V690 W704V682-R686 WeakPolarHBondContact O-CB 3.11Å; V682-R686 PolarHBondContact O-N 3.11Å; T684-R686 VanDerWaalsContact C-N 3.32Å; T684-R686 PolarHBondContact O-N 3.31Å; R686-V690 VanDerWaalsContact O-CG2 3.29Å; R686-V690 WeakPolarHBondContact O-CG2 3.22Å; R686-V690 PolarHBondContact O-N 2.91Å; R686-W704 HydrophobicContact CB-CZ3 4.12Å; R686-W704 HydrophobicContact CG-CZ3 4.19Å
687V70.5Confident71.6Confident59 Ų5956.4 Ų56.436%0.35831%0.306SS..Hα-helixtrans-66.2-46177.6173.10000110.7K683 T684 N685 L689 V690 F691 L781K683-V687 PolarHBondContact O-N 2.96Å; T684-V687 PolarHBondContact O-N 3.4Å; T684-V687 VanDerWaalsContact O-N 3.12Å; N685-V687 VanDerWaalsContact C-N 3.3Å; N685-V687 PolarHBondContact O-N 2.89Å; V687-L689 PolarHBondContact O-N 2.87Å; V687-V690 PolarHBondContact O-N 2.83Å; V687-F691 HydrophobicContact CG1-CD2 4.07Å; V687-F691 HydrophobicContact CG1-CE2 4.24Å; V687-F691 VanDerWaalsContact O-CD2 3.31Å; V687-F691 WeakPolarHBondContact O-CD2 3.46Å; V687-F691 PolarHBondContact O-N 3.2Å; V687-L781 HydrophobicContact CG1-CD1 4.22Å
688L70.1Confident69.7Low6 Ų661.2 Ų61.23%0.03134%0.34CS..Hα-helixtrans-57.7-48.4177.8-73173.1000112.6T684 N685 V690 F691 E692 F774 K777 L781T684-L688 PolarHBondContact O-N 2.94Å; T684-L688 VanDerWaalsContact O-N 3.1Å; N685-L688 PolarHBondContact O-N 2.8Å; L688-V690 VanDerWaalsContact C-N 3.3Å; L688-V690 PolarHBondContact O-N 2.76Å; L688-F691 PolarHBondContact O-N 3.38Å; L688-E692 PolarHBondContact O-N 3.37Å; L688-F774 HydrophobicContact CD1-CB 3.68Å; L688-F774 HydrophobicContact CD1-CD1 3.4Å; L688-F774 HydrophobicContact CD1-CE1 4.36Å; L688-F774 HydrophobicContact CD1-CG 3.9Å; L688-K777 HydrophobicContact CD1-CD 4.34Å; L688-K777 HydrophobicContact CD2-CB 4.11Å; L688-K777 HydrophobicContact CD2-CD 4.06Å; L688-K777 HydrophobicContact CD2-CG 4.07Å; L688-L781 HydrophobicContact CD2-CD1 3.88Å
689L67.7Low67.6Low76 Ų7668.6 Ų68.640%0.39838%0.378SS..Hα-helixtrans-70.7-22.2-176.1-77.8166.5000113.9N685 V687 W704N685-L689 PolarHBondContact O-N 3.01Å; N685-L689 WeakPolarHBondContact OD1-CD1 3.38Å; V687-L689 PolarHBondContact O-N 2.87Å; L689-W704 HydrophobicContact CB-CH2 4.3Å; L689-W704 HydrophobicContact CD1-CH2 3.44Å; L689-W704 VanDerWaalsContact CD1-CH2 3.44Å; L689-W704 HydrophobicContact CD1-CZ2 3.44Å; L689-W704 VanDerWaalsContact CD1-CZ2 3.44Å; L689-W704 HydrophobicContact CD1-CZ3 4.43Å; L689-W704 HydrophobicContact CG-CH2 4.5Å
690V65.9Low65.7Low95 Ų9571.2 Ų71.258%0.57639%0.391SS*.Hα-helixtrans-72.8-34.2171.81670000112.1R686 V687 L688R686-V690 VanDerWaalsContact O-CG2 3.29Å; R686-V690 WeakPolarHBondContact O-CG2 3.22Å; R686-V690 PolarHBondContact O-N 2.91Å; V687-V690 PolarHBondContact O-N 2.83Å; L688-V690 VanDerWaalsContact C-N 3.3Å; L688-V690 PolarHBondContact O-N 2.76Å
691F60.9Low63.9Low75 Ų7582 Ų8233%0.32943%0.431SS..Hα-helixtrans-105.2-25.7-172.6-69.7-70.9000115.9V687 L688 A693 L781 E783V687-F691 HydrophobicContact CG1-CD2 4.07Å; V687-F691 HydrophobicContact CG1-CE2 4.24Å; V687-F691 VanDerWaalsContact O-CD2 3.31Å; V687-F691 WeakPolarHBondContact O-CD2 3.46Å; V687-F691 PolarHBondContact O-N 3.2Å; L688-F691 PolarHBondContact O-N 3.38Å; F691-A693 VanDerWaalsContact C-N 3.34Å; F691-L781 HydrophobicContact CB-CD1 3.82Å; F691-L781 HydrophobicContact CB-CD2 3.75Å; F691-L781 HydrophobicContact CB-CG 4.3Å; F691-L781 HydrophobicContact CD2-CD1 4.12Å; F691-L781 HydrophobicContact CG-CD1 4.34Å; F691-E783 HydrophobicContact CE1-CB 4.14Å; F691-E783 HydrophobicContact CE1-CG 4.49Å; F691-E783 WeakPolarHBondContact CE1-OE1 3.23Å; F691-E783 HydrophobicContact CE2-CB 4.3Å; F691-E783 HydrophobicContact CZ-CB 3.56Å; F691-E783 HydrophobicContact CZ-CG 4.23Å
692E60.9Low62.1Low84 Ų8491 Ų9139%0.39347%0.47SS..SBendtrans-85.4-2.3178.1-74.5-164.3146.600114.5L688 K694 K777L688-E692 PolarHBondContact O-N 3.37Å; E692-K694 PolarHBondContact O-N 3.12Å; E692-K777 WeakPolarHBondContact OE1-CE 3.36Å; E692-K777 IonicContact OE1-NZ 2.94Å; E692-K777 PolarHBondContact OE1-NZ 3.31Å; E692-K777 WeakPolarHBondContact OE2-CE 3.35Å; E692-K777 IonicContact OE2-NZ 2.75Å; E692-K777 PolarHBondContact OE2-NZ 3.34Å
693A52.1Low60.2Low88 Ų8899.3 Ų99.373%0.72750%0.5SS*.  trans43.647.7160.900000116.4F691F691-A693 VanDerWaalsContact C-N 3.34Å
694K49.1Very low59Low189 Ų189102.5 Ų102.582%0.82251%0.512SS*.  trans-101.69.9-170.7-110.9-171.6176.8-166.30116.5E692E692-K694 PolarHBondContact O-N 3.12Å
695I49.6Very low58.2Low98 Ų98103.9 Ų103.950%0.50353%0.527SS..SBendtrans-139.1138.3-174-58.8-179.3000109.8
696P43.8Very low57.6Low106 Ų106105.6 Ų105.669%0.68854%0.536SS*.  trans-64.1150.4-179.124.8-34.8000114.2
697T55.3Low57.6Low134 Ų134107.7 Ų107.782%0.82255%0.554SS**THydrogen-bonded Turntrans-88.7-5.6-153.932.40000117.4
698S52.4Low57.9Low102 Ų102107 Ų10771%0.71355%0.548SS*.THydrogen-bonded Turntrans-86.2-56-170.354.30000114.6
699L48.1Very low58.5Low154 Ų154107.6 Ų107.681%0.80655%0.551SS**THydrogen-bonded Turntrans-81.8-37.1-168-96.9152.7000114.4R701L699-R701 PolarHBondContact O-N 2.86Å
700H50.7Low59.3Low57 Ų57107 Ų10726%0.26455%0.545SS..G310 helixtrans-79.6-22.4-166-147.925.6000114.4K702 W703 W704H700-K702 PolarHBondContact O-N 2.91Å; H700-W703 AromaticContact CE1-CE3 3.31Å; H700-W703 AromaticContact CE1-CZ3 3.74Å; H700-W703 AromaticContact ND1-CE3 3.46Å; H700-W703 PolarHBondContact O-N 2.57Å; H700-W704 AromaticContact CD2-CD1 3.7Å; H700-W704 AromaticContact CD2-NE1 3.97Å; H700-W704 AromaticContact CE1-CD1 3.27Å; H700-W704 AromaticContact CE1-NE1 3.62Å; H700-W704 AromaticContact ND1-CD1 3.76Å; H700-W704 AromaticContact NE2-CD1 3.2Å; H700-W704 AromaticContact NE2-NE1 3.21Å; H700-W704 PolarHBondContact NE2-NE1 3.03Å; H700-W704 PolarHBondContact O-N 2.9Å
701R52.4Low60.2Low228 Ų228107.5 Ų107.586%0.8654%0.544SS*.G310 helixtrans-62.6-16.7-176.6-160175.476.6-173.92.3114L699L699-R701 PolarHBondContact O-N 2.86Å
702K49.7Very low61.4Low206 Ų206107 Ų10790%0.89655%0.545SS*.G310 helixtrans-96.8-20174.9-147.8178.3-175-175.80113.3H700H700-K702 PolarHBondContact O-N 2.91Å
703W47.6Very low62.8Low180 Ų180103.3 Ų103.368%0.68253%0.527SS*.THydrogen-bonded Turntrans-95-28.2-179.2-168.333.6000112.7H700 G705H700-W703 AromaticContact CE1-CE3 3.31Å; H700-W703 AromaticContact CE1-CZ3 3.74Å; H700-W703 AromaticContact ND1-CE3 3.46Å; H700-W703 PolarHBondContact O-N 2.57Å; W703-G705 PolarHBondContact O-N 2.97Å
704W56.6Low64.6Low82 Ų82105.4 Ų105.431%0.31152%0.52SS..SBendtrans-75.345.2171.3-103.158.4000114.2R686 L689 H700 L708R686-W704 HydrophobicContact CB-CZ3 4.12Å; R686-W704 HydrophobicContact CG-CZ3 4.19Å; L689-W704 HydrophobicContact CB-CH2 4.3Å; L689-W704 HydrophobicContact CD1-CH2 3.44Å; L689-W704 VanDerWaalsContact CD1-CH2 3.44Å; L689-W704 HydrophobicContact CD1-CZ2 3.44Å; L689-W704 VanDerWaalsContact CD1-CZ2 3.44Å; L689-W704 HydrophobicContact CD1-CZ3 4.43Å; L689-W704 HydrophobicContact CG-CH2 4.5Å; H700-W704 AromaticContact CD2-CD1 3.7Å; H700-W704 AromaticContact CD2-NE1 3.97Å; H700-W704 AromaticContact CE1-CD1 3.27Å; H700-W704 AromaticContact CE1-NE1 3.62Å; H700-W704 AromaticContact ND1-CD1 3.76Å; H700-W704 AromaticContact NE2-CD1 3.2Å; H700-W704 AromaticContact NE2-NE1 3.21Å; H700-W704 PolarHBondContact NE2-NE1 3.03Å; H700-W704 PolarHBondContact O-N 2.9Å; W704-L708 HydrophobicContact CG-CD2 4.26Å
705G64.9Low66.6Low34 Ų34101.2 Ų101.235%0.35151%0.507SS..SBendtrans-75.2172.8173.800000113.3W703 N707 L708W703-G705 PolarHBondContact O-N 2.97Å; G705-N707 PolarHBondContact O-N 3.08Å; G705-L708 PolarHBondContact O-N 3.23Å
706L65.3Low68.6Low75 Ų7597.4 Ų97.439%0.39349%0.488SS..Hα-helixtrans-55.3-39.1178.7-167.174.6000112.1E634 L708 Q709 F710E634-L706 HydrophobicContact CG-CD1 4.49Å; E634-L706 HydrophobicContact CG-CD2 4.26Å; L706-L708 VanDerWaalsContact C-N 3.3Å; L706-L708 PolarHBondContact O-N 2.64Å; L706-Q709 WeakPolarHBondContact O-CB 3.47Å; L706-Q709 PolarHBondContact O-N 3.29Å; L706-Q709 VanDerWaalsContact O-N 3.13Å; L706-F710 HydrophobicContact CD1-CE2 4.23Å; L706-F710 HydrophobicContact CD2-CE2 4.07Å; L706-F710 HydrophobicContact CG-CD2 4.08Å; L706-F710 HydrophobicContact CG-CE2 3.83Å; L706-F710 PolarHBondContact O-N 2.89Å
707N75.1Confident71Confident134 Ų13493.1 Ų93.172%0.71746%0.46SS*.Hα-helixtrans-61-34.8-178.1-56.919.3000112.7G705 Q709 F710 L711G705-N707 PolarHBondContact O-N 3.08Å; N707-Q709 VanDerWaalsContact C-N 3.33Å; N707-F710 PolarHBondContact O-N 3.44Å; N707-L711 WeakPolarHBondContact O-CB 3.29Å; N707-L711 PolarHBondContact O-N 3.14Å
708L78.6Confident72.8Confident44 Ų4491.2 Ų91.223%0.2344%0.441CS..Hα-helixtrans-70.9-31.1178.9-174.761.5000111.9W704 G705 L706 L711 L712W704-L708 HydrophobicContact CG-CD2 4.26Å; G705-L708 PolarHBondContact O-N 3.23Å; L706-L708 VanDerWaalsContact C-N 3.3Å; L706-L708 PolarHBondContact O-N 2.64Å; L708-L711 HydrophobicContact CD1-CD2 4.29Å; L708-L712 PolarHBondContact O-N 3.12Å; L708-L712 VanDerWaalsContact O-N 3.11Å
709Q81.3Confident74.8Confident19 Ų1989.1 Ų89.19%0.08942%0.423CS..Hα-helixtrans-68.4-43.1174.7-66.3170.33400110.6N632 L635 V682 L706 N707 L712 V713N632-Q709 PolarHBondContact ND2-OE1 3.34Å; N632-Q709 VanDerWaalsContact ND2-OE1 3.11Å; L635-Q709 HydrophobicContact CD1-CB 4.47Å; V682-Q709 HydrophobicContact CG1-CB 3.76Å; V682-Q709 HydrophobicContact CG1-CG 4Å; L706-Q709 WeakPolarHBondContact O-CB 3.47Å; L706-Q709 PolarHBondContact O-N 3.29Å; L706-Q709 VanDerWaalsContact O-N 3.13Å; N707-Q709 VanDerWaalsContact C-N 3.33Å; Q709-L712 PolarHBondContact O-N 3.1Å; Q709-V713 WeakPolarHBondContact O-CG2 3.44Å; Q709-V713 PolarHBondContact O-N 2.66Å; Q709-V713 VanDerWaalsContact O-N 3.12Å
710F84.7Confident77Confident64 Ų6481.8 Ų81.828%0.28139%0.385SS..Hα-helixtrans-68.1-38.4174.5-77-63.6000113.2E634 L635 V638 L706 N707 L712 V713 F714E634-F710 HydrophobicContact CB-CE2 4.04Å; E634-F710 HydrophobicContact CB-CZ 3.69Å; L635-F710 HydrophobicContact CD2-CD1 4.23Å; L635-F710 HydrophobicContact CD2-CE1 3.85Å; L635-F710 HydrophobicContact CD2-CZ 4.23Å; V638-F710 HydrophobicContact CG2-CE1 3.92Å; L706-F710 HydrophobicContact CD1-CE2 4.23Å; L706-F710 HydrophobicContact CD2-CE2 4.07Å; L706-F710 HydrophobicContact CG-CD2 4.08Å; L706-F710 HydrophobicContact CG-CE2 3.83Å; L706-F710 PolarHBondContact O-N 2.89Å; N707-F710 PolarHBondContact O-N 3.44Å; F710-L712 VanDerWaalsContact C-N 3.29Å; F710-L712 PolarHBondContact O-N 3.07Å; F710-V713 PolarHBondContact O-N 3.25Å; F710-F714 WeakPolarHBondContact O-CB 3.48Å; F710-F714 PolarHBondContact O-N 3.45Å
711L85.8Confident79Confident105 Ų10581.6 Ų81.655%0.5539%0.388SS..Hα-helixtrans-59.4-39.5174.2-178.261.5000112N707 L708 F714 L715N707-L711 WeakPolarHBondContact O-CB 3.29Å; N707-L711 PolarHBondContact O-N 3.14Å; L708-L711 HydrophobicContact CD1-CD2 4.29Å; L711-F714 PolarHBondContact O-N 3.09Å; L711-L715 WeakPolarHBondContact O-CB 3.47Å; L711-L715 PolarHBondContact O-N 3.02Å
712L85.6Confident81Confident65 Ų6575.1 Ų75.134%0.3437%0.368SS..Hα-helixtrans-71.6-39.6177.7-17555.7000112.6V682 L708 Q709 F710 F714 L715 C716V682-L712 HydrophobicContact CG2-CB 3.96Å; V682-L712 HydrophobicContact CG2-CD2 3.8Å; V682-L712 HydrophobicContact CG2-CG 3.68Å; L708-L712 PolarHBondContact O-N 3.12Å; L708-L712 VanDerWaalsContact O-N 3.11Å; Q709-L712 PolarHBondContact O-N 3.1Å; F710-L712 VanDerWaalsContact C-N 3.29Å; F710-L712 PolarHBondContact O-N 3.07Å; L712-F714 VanDerWaalsContact C-N 3.34Å; L712-L715 PolarHBondContact O-N 3.37Å; L712-C716 PolarHBondContact O-N 3.45Å; L712-C716 VanDerWaalsContact O-N 3.15Å; L712-C716 PolarHBondContact O-SG 3.37Å
713V90.7Very high83Confident5 Ų567.3 Ų67.33%0.0334%0.336CS..Hα-helixtrans-61.2-44.5171.8172.90000110.9L635 L675 V682 Q709 F710 T717L635-V713 HydrophobicContact CD2-CG2 4.08Å; L675-V713 HydrophobicContact CD1-CG1 3.56Å; V682-V713 HydrophobicContact CB-CG2 3.99Å; V682-V713 HydrophobicContact CG1-CG2 4.44Å; V682-V713 HydrophobicContact CG2-CG2 3.66Å; Q709-V713 WeakPolarHBondContact O-CG2 3.44Å; Q709-V713 PolarHBondContact O-N 2.66Å; Q709-V713 VanDerWaalsContact O-N 3.12Å; F710-V713 PolarHBondContact O-N 3.25Å; V713-T717 WeakPolarHBondContact O-CB 3.04Å; V713-T717 PolarHBondContact O-N 3.17Å; V713-T717 VanDerWaalsContact O-N 3.07Å; V713-T717 PolarHBondContact O-OG1 2.91Å
714F90.4Very high85.2Confident133 Ų13358.9 Ų58.958%0.58331%0.305SS*.Hα-helixtrans-61.5-47177.2179.1-96.5000111.4F710 L711 L712 C716 T717 F718F710-F714 WeakPolarHBondContact O-CB 3.48Å; F710-F714 PolarHBondContact O-N 3.45Å; L711-F714 PolarHBondContact O-N 3.09Å; L712-F714 VanDerWaalsContact C-N 3.34Å; F714-C716 PolarHBondContact O-N 3.18Å; F714-T717 PolarHBondContact O-N 3.23Å; F714-F718 HydrophobicContact CE1-CB 4.41Å; F714-F718 HydrophobicContact CE1-CD2 4.41Å; F714-F718 HydrophobicContact CZ-CD2 4.25Å; F714-F718 VanDerWaalsContact O-CB 3.26Å; F714-F718 WeakPolarHBondContact O-CB 3.18Å; F714-F718 PolarHBondContact O-N 3.21Å
715L90.9Very high86.9Confident101 Ų10159 Ų5953%0.52931%0.314SS..Hα-helixtrans-61.1-43.9-179.3-175.564000112.7L711 L712 F718 V719L711-L715 WeakPolarHBondContact O-CB 3.47Å; L711-L715 PolarHBondContact O-N 3.02Å; L712-L715 PolarHBondContact O-N 3.37Å; L715-F718 PolarHBondContact O-N 2.98Å; L715-V719 PolarHBondContact O-N 3.28Å
716C91.4Very high88.1Confident18 Ų1861.4 Ų61.412%0.12232%0.322CS..Hα-helixtrans-64.2-40.6174.9-67.90000112.2S678 L712 F714 Y763 L767S678-C716 WeakPolarHBondContact OG-CB 3.38Å; L712-C716 PolarHBondContact O-N 3.45Å; L712-C716 VanDerWaalsContact O-N 3.15Å; L712-C716 PolarHBondContact O-SG 3.37Å; F714-C716 PolarHBondContact O-N 3.18Å; C716-Y763 PolarHBondContact O-OH 3.1Å; C716-L767 HydrophobicContact CB-CD1 4.5Å
717T92.9Very high89.5Confident15 Ų1558.1 Ų58.19%0.09230%0.304CS..Hα-helixtrans-70.7-35.4178.8-470000111.9I671 L675 V713 F714 V719 Q720 V721I671-T717 HydrophobicContact CG2-CG2 4.26Å; L675-T717 HydrophobicContact CB-CG2 4.11Å; L675-T717 HydrophobicContact CD1-CG2 4.4Å; V713-T717 WeakPolarHBondContact O-CB 3.04Å; V713-T717 PolarHBondContact O-N 3.17Å; V713-T717 VanDerWaalsContact O-N 3.07Å; V713-T717 PolarHBondContact O-OG1 2.91Å; F714-T717 PolarHBondContact O-N 3.23Å; T717-V719 VanDerWaalsContact C-N 3.34Å; T717-V719 PolarHBondContact O-N 3.22Å; T717-Q720 PolarHBondContact O-N 3.28Å; T717-Q720 VanDerWaalsContact O-N 3.14Å; T717-V721 PolarHBondContact O-N 2.7Å
718F93.8Very high90.2Very high95 Ų9554.7 Ų54.742%0.41729%0.285SS..Hα-helixtrans-61.9-37.6179.1-179-99.7000112.5F714 L715 Q720 V721 M722F714-F718 HydrophobicContact CE1-CB 4.41Å; F714-F718 HydrophobicContact CE1-CD2 4.41Å; F714-F718 HydrophobicContact CZ-CD2 4.25Å; F714-F718 VanDerWaalsContact O-CB 3.26Å; F714-F718 WeakPolarHBondContact O-CB 3.18Å; F714-F718 PolarHBondContact O-N 3.21Å; L715-F718 PolarHBondContact O-N 2.98Å; F718-Q720 VanDerWaalsContact C-N 3.31Å; F718-Q720 PolarHBondContact O-N 3.39Å; F718-V721 PolarHBondContact O-N 3.38Å; F718-M722 HydrophobicContact CD1-CG 4.08Å; F718-M722 HydrophobicContact CE1-CG 3.64Å; F718-M722 HydrophobicContact CE1-SD 4.15Å; F718-M722 HydrophobicContact CE2-CG 4.3Å; F718-M722 HydrophobicContact CE2-SD 4.2Å; F718-M722 HydrophobicContact CZ-CG 3.76Å; F718-M722 HydrophobicContact CZ-SD 3.69Å; F718-M722 WeakPolarHBondContact O-CG 3.48Å; F718-M722 PolarHBondContact O-N 3.31Å
719V93.6Very high90.7Very high58 Ų5861.8 Ų61.835%0.35231%0.31SS..Hα-helixtrans-59.4-43.4174.1177.90000111L715 T717 M722 I723 Y763L715-V719 PolarHBondContact O-N 3.28Å; T717-V719 VanDerWaalsContact C-N 3.34Å; T717-V719 PolarHBondContact O-N 3.22Å; V719-M722 PolarHBondContact O-N 2.93Å; V719-I723 HydrophobicContact CG1-CD1 4.14Å; V719-I723 WeakPolarHBondContact O-CG1 3.41Å; V719-I723 PolarHBondContact O-N 3.48Å; V719-Y763 HydrophobicContact CB-CE1 4.43Å; V719-Y763 HydrophobicContact CB-CE2 4.14Å; V719-Y763 HydrophobicContact CG1-CD2 4.03Å; V719-Y763 HydrophobicContact CG1-CE1 4.45Å; V719-Y763 HydrophobicContact CG1-CE2 3.56Å
720Q94.4Very high91.1Very high0 Ų066.5 Ų66.50%034%0.336CS..Hα-helixtrans-66.6-38176.8-174.258.167.600112.5I671 V674 T717 F718 M722 I723 C724 Y763I671-Q720 HydrophobicContact CG1-CG 4.26Å; V674-Q720 HydrophobicContact CB-CB 4.05Å; V674-Q720 HydrophobicContact CB-CG 4.09Å; V674-Q720 HydrophobicContact CG1-CB 3.87Å; V674-Q720 HydrophobicContact CG1-CG 4.46Å; V674-Q720 HydrophobicContact CG2-CB 4.01Å; V674-Q720 HydrophobicContact CG2-CG 3.79Å; T717-Q720 PolarHBondContact O-N 3.28Å; T717-Q720 VanDerWaalsContact O-N 3.14Å; F718-Q720 VanDerWaalsContact C-N 3.31Å; F718-Q720 PolarHBondContact O-N 3.39Å; Q720-M722 VanDerWaalsContact C-N 3.34Å; Q720-I723 PolarHBondContact O-N 3.43Å; Q720-C724 PolarHBondContact NE2-SG 2.72Å; Q720-C724 VanDerWaalsContact NE2-SG 3.44Å; Q720-C724 PolarHBondContact O-N 3.11Å; Q720-C724 PolarHBondContact O-SG 3.42Å; Q720-Y763 HydrophobicContact CB-CD1 4.26Å; Q720-Y763 HydrophobicContact CB-CE1 4.31Å
721V94.3Very high91.3Very high52 Ų5264.6 Ų64.632%0.31533%0.332SS..Hα-helixtrans-60.7-44.2173.8174.80000110.8I671 T717 F718 I723 C724 V725I671-V721 HydrophobicContact CD1-CG2 4.13Å; I671-V721 HydrophobicContact CG1-CG2 4.16Å; I671-V721 HydrophobicContact CG2-CG2 4.06Å; T717-V721 PolarHBondContact O-N 2.7Å; F718-V721 PolarHBondContact O-N 3.38Å; V721-I723 PolarHBondContact O-N 3.21Å; V721-C724 PolarHBondContact O-N 2.76Å; V721-V725 HydrophobicContact CG1-CG2 4.41Å; V721-V725 WeakPolarHBondContact O-CG2 3.36Å; V721-V725 PolarHBondContact O-N 3Å
722M93.3Very high91.3Very high92 Ų9262.3 Ų62.345%0.45332%0.324SS..Hα-helixtrans-63.5-40.3177.1-67.3-62.9-69.400112.3F718 V719 Q720 C724 V725 V726F718-M722 HydrophobicContact CD1-CG 4.08Å; F718-M722 HydrophobicContact CE1-CG 3.64Å; F718-M722 HydrophobicContact CE1-SD 4.15Å; F718-M722 HydrophobicContact CE2-CG 4.3Å; F718-M722 HydrophobicContact CE2-SD 4.2Å; F718-M722 HydrophobicContact CZ-CG 3.76Å; F718-M722 HydrophobicContact CZ-SD 3.69Å; F718-M722 WeakPolarHBondContact O-CG 3.48Å; F718-M722 PolarHBondContact O-N 3.31Å; V719-M722 PolarHBondContact O-N 2.93Å; Q720-M722 VanDerWaalsContact C-N 3.34Å; M722-C724 PolarHBondContact O-N 3.35Å; M722-V725 PolarHBondContact O-N 3.05Å; M722-V726 WeakPolarHBondContact O-CB 3.48Å; M722-V726 VanDerWaalsContact O-CG2 3.3Å; M722-V726 WeakPolarHBondContact O-CG2 3.23Å; M722-V726 PolarHBondContact O-N 2.72Å
723I93Very high91.5Very high42 Ų4259.2 Ų59.222%0.21531%0.308CS..Hα-helixtrans-58.9-46.8173.1-68.3165.5000110.6V719 Q720 V721 V726 W727 F759 L760 Y763V719-I723 HydrophobicContact CG1-CD1 4.14Å; V719-I723 WeakPolarHBondContact O-CG1 3.41Å; V719-I723 PolarHBondContact O-N 3.48Å; Q720-I723 PolarHBondContact O-N 3.43Å; V721-I723 PolarHBondContact O-N 3.21Å; I723-V726 PolarHBondContact O-N 3.19Å; I723-W727 WeakPolarHBondContact O-CB 3.24Å; I723-W727 PolarHBondContact O-N 3.44Å; I723-F759 HydrophobicContact CG2-CB 4.39Å; I723-L760 HydrophobicContact CG2-CB 4.47Å; I723-Y763 HydrophobicContact CD1-CD2 4.31Å; I723-Y763 HydrophobicContact CD1-CG 3.98Å
724C92.1Very high91.4Very high4 Ų461 Ų613%0.02732%0.32CS..Hα-helixtrans-63.3-41.8178.4-64.90000112.8P667 I671 Q720 V721 M722 W727 L728P667-C724 HydrophobicContact CB-CB 4.1Å; I671-C724 HydrophobicContact CD1-CB 4.22Å; Q720-C724 PolarHBondContact NE2-SG 2.72Å; Q720-C724 VanDerWaalsContact NE2-SG 3.44Å; Q720-C724 PolarHBondContact O-N 3.11Å; Q720-C724 PolarHBondContact O-SG 3.42Å; V721-C724 PolarHBondContact O-N 2.76Å; M722-C724 PolarHBondContact O-N 3.35Å; C724-W727 PolarHBondContact O-N 3.45Å; C724-L728 WeakPolarHBondContact O-CB 3.48Å; C724-L728 WeakPolarHBondContact O-CG 3.28Å; C724-L728 PolarHBondContact O-N 2.85Å
725V92.3Very high91.2Very high85 Ų8557 Ų5752%0.51531%0.309SS..Hα-helixtrans-66.2-43178171.40000111.3V721 M722 W727 L728 Y729V721-V725 HydrophobicContact CG1-CG2 4.41Å; V721-V725 WeakPolarHBondContact O-CG2 3.36Å; V721-V725 PolarHBondContact O-N 3Å; M722-V725 PolarHBondContact O-N 3.05Å; V725-W727 VanDerWaalsContact C-N 3.34Å; V725-W727 PolarHBondContact O-N 3.45Å; V725-L728 PolarHBondContact O-N 2.81Å; V725-Y729 WeakPolarHBondContact O-CB 3.44Å; V725-Y729 PolarHBondContact O-N 3.05Å
726V91.7Very high90.7Very high83 Ų8357 Ų5750%0.50330%0.302SS..Hα-helixtrans-64-39.1177170.20000111.2M722 I723 N730M722-V726 WeakPolarHBondContact O-CB 3.48Å; M722-V726 VanDerWaalsContact O-CG2 3.3Å; M722-V726 WeakPolarHBondContact O-CG2 3.23Å; M722-V726 PolarHBondContact O-N 2.72Å; I723-V726 PolarHBondContact O-N 3.19Å; V726-N730 PolarHBondContact O-N 3.37Å; V726-N730 PolarHBondContact O-ND2 3.21Å
727W92.8Very high90Very high7 Ų761.6 Ų61.63%0.02732%0.317CS..Hα-helixtrans-63.3-55.4173.618011000111.7Q666 I723 C724 V725 Y729 N730 A731 P733 E751 A756 L757 L760Q666-W727 HydrophobicContact CB-CH2 3.75Å; Q666-W727 HydrophobicContact CB-CZ3 3.76Å; Q666-W727 HydrophobicContact CG-CH2 3.88Å; Q666-W727 HydrophobicContact CG-CZ3 4.4Å; I723-W727 WeakPolarHBondContact O-CB 3.24Å; I723-W727 PolarHBondContact O-N 3.44Å; C724-W727 PolarHBondContact O-N 3.45Å; V725-W727 VanDerWaalsContact C-N 3.34Å; V725-W727 PolarHBondContact O-N 3.45Å; W727-Y729 PolarHBondContact O-N 2.89Å; W727-Y729 VanDerWaalsContact O-N 3.13Å; W727-N730 PolarHBondContact O-N 3.38Å; W727-N730 VanDerWaalsContact O-N 3.15Å; W727-A731 PolarHBondContact NE1-O 2.87Å; W727-A731 CarbonylContact O-C 3.58Å; W727-A731 PolarHBondContact O-N 3.32Å; W727-P733 HydrophobicContact CZ2-CG 3.84Å; W727-E751 WeakPolarHBondContact CH2-OE2 3.26Å; W727-E751 HydrophobicContact CZ2-CB 4.23Å; W727-E751 WeakPolarHBondContact CZ2-O 3.26Å; W727-E751 VanDerWaalsContact CZ2-OE2 3.22Å; W727-E751 WeakPolarHBondContact CZ2-OE2 3.44Å; W727-E751 PolarHBondContact NE1-O 3.13Å; W727-A756 HydrophobicContact CB-CB 3.98Å; W727-A756 VanDerWaalsContact CD1-CB 3.42Å; W727-A756 HydrophobicContact CD2-CB 3.75Å; W727-A756 HydrophobicContact CG-CB 3.44Å; W727-A756 VanDerWaalsContact CG-CB 3.44Å; W727-L757 HydrophobicContact CH2-CB 4.07Å; W727-L757 HydrophobicContact CH2-CD1 3.93Å; W727-L757 HydrophobicContact CZ2-CB 4.36Å; W727-L757 HydrophobicContact CZ3-CD1 4.41Å; W727-L760 HydrophobicContact CE3-CD1 4.4Å; W727-L760 HydrophobicContact CZ3-CD1 4.06Å
728L90.2Very high88.9Confident61 Ų6161.8 Ų61.832%0.31932%0.318SS..Hα-helixtrans-61.9-22.7-178.1-69.7175.7000113.8R663 P667 C724 V725 P732R663-L728 HydrophobicContact CB-CD2 3.98Å; R663-L728 HydrophobicContact CG-CD2 4.26Å; P667-L728 HydrophobicContact CG-CD1 4.24Å; P667-L728 HydrophobicContact CG-CG 4.49Å; C724-L728 WeakPolarHBondContact O-CB 3.48Å; C724-L728 WeakPolarHBondContact O-CG 3.28Å; C724-L728 PolarHBondContact O-N 2.85Å; V725-L728 PolarHBondContact O-N 2.81Å; L728-P732 WeakPolarHBondContact O-CB 3.33Å
729Y90.6Very high87.7Confident194 Ų19461.3 Ų61.376%0.76131%0.314SS*.Hα-helixtrans-79.6-43.9173.7-176.1-92.5000113.2V725 W727V725-Y729 WeakPolarHBondContact O-CB 3.44Å; V725-Y729 PolarHBondContact O-N 3.05Å; W727-Y729 PolarHBondContact O-N 2.89Å; W727-Y729 VanDerWaalsContact O-N 3.13Å
730N88.5Confident86Confident117 Ų11764.5 Ų64.563%0.62633%0.329SS*.Hα-helixtrans-91.3-31.5-172-68.6-81.3000113.9V726 W727V726-N730 PolarHBondContact O-N 3.37Å; V726-N730 PolarHBondContact O-ND2 3.21Å; W727-N730 PolarHBondContact O-N 3.38Å; W727-N730 VanDerWaalsContact O-N 3.15Å
731A88.1Confident84.5Confident25 Ų2568.6 Ų68.621%0.20735%0.35CS..SBendtrans-151.566.1-177.600000110.6W727W727-A731 PolarHBondContact NE1-O 2.87Å; W727-A731 CarbonylContact O-C 3.58Å; W727-A731 PolarHBondContact O-N 3.32Å
732P87.9Confident82.9Confident56 Ų5670.6 Ų70.636%0.36436%0.359SS..  trans-60.8131.9178.723.9-32.6000111.2R663 L728R663-P732 HydrophobicContact CG-CB 4.42Å; L728-P732 WeakPolarHBondContact O-CB 3.33Å
733P89.5Confident81.4Confident1 Ų172.3 Ų72.31%0.00637%0.366CS..  trans-57.3145.8171-27.236000112.4C662 R663 W727 N750C662-P733 HydrophobicContact CB-CB 3.98Å; R663-P733 WeakPolarHBondContact CG-O 3.14Å; R663-P733 PolarHBondContact NE-O 3.03Å; W727-P733 HydrophobicContact CZ2-CG 3.84Å; P733-N750 WeakPolarHBondContact CA-O 3.35Å; P733-N750 WeakPolarHBondContact CB-O 3.47Å
734S87.4Confident80.1Confident41 Ų4173 Ų7329%0.28737%0.369SS..EExtended strand (participates in β ladder)trans-134.4161.7178.576.60000111.1C749 N750S734-C749 CarbonylContact O-C 3.6Å; S734-C749 WeakPolarHBondContact O-CA 3.47Å; S734-N750 PolarHBondContact N-O 3.32Å; S734-N750 PolarHBondContact O-N 3.44Å
735S86.7Confident79.1Confident50 Ų5073.3 Ų73.335%0.3537%0.371SS..EExtended strand (participates in β ladder)trans-61.2144.5160.762.30000110P657 D659P657-S735 WeakPolarHBondContact O-CB 3.08Å; D659-S735 VanDerWaalsContact OD1-CB 3.29Å; D659-S735 WeakPolarHBondContact OD1-CB 3.42Å; D659-S735 PolarHBondContact OD1-N 3.49Å; D659-S735 PolarHBondContact OD1-OG 3.21Å
736Y80.3Confident78.3Confident100 Ų10071.2 Ų71.239%0.39236%0.355SS..EExtended strand (participates in β ladder)trans-140.8134.5174.8176.4-105.8000109.1N738 I747 T748Y736-N738 HydrophobicContact CD1-CB 4.45Å; Y736-N738 HydrophobicContact CE1-CB 3.79Å; Y736-I747 WeakPolarHBondContact O-CA 3.33Å; Y736-I747 WeakPolarHBondContact O-CG2 3.49Å; Y736-T748 PolarHBondContact N-O 2.88Å; Y736-T748 PolarHBondContact O-N 3.15Å
737R77.4Confident77.6Confident115 Ų11567.8 Ų67.843%0.43433%0.333SS..EExtended strand (participates in β ladder)trans-106.7118.7173.8-64.8-176.3176.5-169-4.5107.2Y739 I745 I747R737-Y739 HydrophobicContact CB-CE2 3.83Å; R737-Y739 WeakPolarHBondContact O-CD2 3.36Å; R737-Y739 VanDerWaalsContact O-CE2 3.3Å; R737-Y739 WeakPolarHBondContact O-CE2 3.31Å; R737-I745 HydrophobicContact CB-CG2 4.12Å; R737-I747 HydrophobicContact CG-CD1 4.26Å; R737-I747 HydrophobicContact CG-CG1 4.13Å; R737-I747 HydrophobicContact CG-CG2 4.11Å
738N69.9Low77Confident19 Ų1969.3 Ų69.310%0.10234%0.343CS..EExtended strand (participates in β ladder)trans-87.9134.8171.9-171.9-72.8000109.2Y736 D740 F746Y736-N738 HydrophobicContact CD1-CB 4.45Å; Y736-N738 HydrophobicContact CE1-CB 3.79Å; N738-D740 PolarHBondContact ND2-OD2 2.96Å; N738-D740 WeakPolarHBondContact OD1-CA 3.49Å; N738-D740 VanDerWaalsContact OD1-CB 3.3Å; N738-D740 WeakPolarHBondContact OD1-CB 3.3Å; N738-D740 PolarHBondContact OD1-N 3.11Å; N738-D740 PolarHBondContact OD1-OD2 3.12Å; N738-F746 HydrophobicContact CB-CD1 4.12Å; N738-F746 HydrophobicContact CB-CD2 3.95Å; N738-F746 HydrophobicContact CB-CE1 3.63Å; N738-F746 HydrophobicContact CB-CE2 3.49Å; N738-F746 VanDerWaalsContact CB-CE2 3.49Å; N738-F746 HydrophobicContact CB-CG 4.26Å; N738-F746 HydrophobicContact CB-CZ 3.32Å; N738-F746 PolarHBondContact N-O 3.27Å; N738-F746 VanDerWaalsContact N-O 3.12Å; N738-F746 WeakPolarHBondContact OD1-CE1 3.45Å; N738-F746 VanDerWaalsContact OD1-CZ 3.31Å; N738-F746 WeakPolarHBondContact OD1-CZ 3.39Å
739Y67.4Low76.7Confident86 Ų8667.3 Ų67.334%0.33733%0.334SS..  trans-114.10.3-179.4-59.2-90.6000112.5N573 R737 I741 I745N573-Y739 WeakPolarHBondContact OD1-CE1 3.2Å; R737-Y739 HydrophobicContact CB-CE2 3.83Å; R737-Y739 WeakPolarHBondContact O-CD2 3.36Å; R737-Y739 VanDerWaalsContact O-CE2 3.3Å; R737-Y739 WeakPolarHBondContact O-CE2 3.31Å; Y739-I741 PolarHBondContact O-N 3.12Å; Y739-I745 HydrophobicContact CD1-CD1 3.89Å; Y739-I745 HydrophobicContact CD1-CG1 4.11Å; Y739-I745 HydrophobicContact CE1-CD1 3.88Å; Y739-I745 HydrophobicContact CE1-CG1 4.45Å
740D59.1Low76.5Confident125 Ų12562 Ų6267%0.66832%0.319SS*.  trans-80.7-1.5-170.4-44.4-37.5000112.8N738N738-D740 PolarHBondContact ND2-OD2 2.96Å; N738-D740 WeakPolarHBondContact OD1-CA 3.49Å; N738-D740 VanDerWaalsContact OD1-CB 3.3Å; N738-D740 WeakPolarHBondContact OD1-CB 3.3Å; N738-D740 PolarHBondContact OD1-N 3.11Å; N738-D740 PolarHBondContact OD1-OD2 3.12Å
741I61.4Low76.3Confident86 Ų8657 Ų5744%0.44129%0.292SS..SBendtrans-105.5136.5168.3-67.3-175.6000109.1K586 Y739 F746K586-I741 PolarHBondContact NZ-O 3.5Å; Y739-I741 PolarHBondContact O-N 3.12Å; I741-F746 HydrophobicContact CB-CE1 4.08Å; I741-F746 HydrophobicContact CD1-CD1 4.18Å; I741-F746 HydrophobicContact CD1-CE1 3.48Å; I741-F746 VanDerWaalsContact CD1-CE1 3.48Å; I741-F746 HydrophobicContact CD1-CZ 4.11Å; I741-F746 HydrophobicContact CG1-CE1 3.73Å; I741-F746 HydrophobicContact CG1-CZ 4.47Å
742D61.1Low76.1Confident93 Ų9358.1 Ų58.150%0.49731%0.306SS..SBendtrans-66.5-51.1-166.1-67.1-58000113.7W575 K586W575-D742 HydrophobicContact CE3-CB 4.24Å; W575-D742 HydrophobicContact CH2-CB 3.45Å; W575-D742 VanDerWaalsContact CH2-CB 3.45Å; W575-D742 WeakPolarHBondContact CH2-OD1 3.48Å; W575-D742 HydrophobicContact CZ2-CB 3.82Å; W575-D742 HydrophobicContact CZ3-CB 3.67Å; W575-D742 WeakPolarHBondContact CZ3-OD1 3.35Å; K586-D742 VanDerWaalsContact CD-O 3.3Å; K586-D742 WeakPolarHBondContact CD-O 2.98Å; K586-D742 WeakPolarHBondContact CE-O 3.14Å; K586-D742 PolarHBondContact NZ-O 3.46Å
743E61.9Low76Confident129 Ų12957.2 Ų57.260%0.60330%0.301SS*.SBendtrans-88.6-26.5-175.2-60.2-177.1147.700114.5
744I66.8Low75.8Confident57 Ų5761.8 Ų61.829%0.29233%0.328SS..EExtended strand (participates in β ladder)trans-132.9129-163.2-55.8176.9000112E589E589-I744 HydrophobicContact CB-CG2 3.94Å; E589-I744 HydrophobicContact CG-CG2 3.9Å
745I69.9Low75.7Confident10 Ų1066.3 Ų66.35%0.05135%0.347CS..EExtended strand (participates in β ladder)trans-91.6113.2168.7-63.5170.4000108.6K586 Q587 I588 E589 R737 Y739K586-I745 HydrophobicContact CB-CD1 3.85Å; K586-I745 HydrophobicContact CB-CG1 3.89Å; K586-I745 HydrophobicContact CD-CD1 4.25Å; K586-I745 HydrophobicContact CD-CG1 3.91Å; Q587-I745 PolarHBondContact O-N 3.14Å; I588-I745 VanDerWaalsContact CA-O 3.29Å; I588-I745 WeakPolarHBondContact CA-O 3.47Å; E589-I745 PolarHBondContact N-O 3.15Å; R737-I745 HydrophobicContact CB-CG2 4.12Å; Y739-I745 HydrophobicContact CD1-CD1 3.89Å; Y739-I745 HydrophobicContact CD1-CG1 4.11Å; Y739-I745 HydrophobicContact CE1-CD1 3.88Å; Y739-I745 HydrophobicContact CE1-CG1 4.45Å
746F74.9Confident75.7Confident41 Ų4164.6 Ų64.618%0.1834%0.335CS..EExtended strand (participates in β ladder)trans-95.2133.7173.352-75000110.7E589 N738 I741 T748E589-F746 WeakPolarHBondContact O-CA 3.45Å; N738-F746 HydrophobicContact CB-CD1 4.12Å; N738-F746 HydrophobicContact CB-CD2 3.95Å; N738-F746 HydrophobicContact CB-CE1 3.63Å; N738-F746 HydrophobicContact CB-CE2 3.49Å; N738-F746 VanDerWaalsContact CB-CE2 3.49Å; N738-F746 HydrophobicContact CB-CG 4.26Å; N738-F746 HydrophobicContact CB-CZ 3.32Å; N738-F746 PolarHBondContact N-O 3.27Å; N738-F746 VanDerWaalsContact N-O 3.12Å; N738-F746 WeakPolarHBondContact OD1-CE1 3.45Å; N738-F746 VanDerWaalsContact OD1-CZ 3.31Å; N738-F746 WeakPolarHBondContact OD1-CZ 3.39Å; I741-F746 HydrophobicContact CB-CE1 4.08Å; I741-F746 HydrophobicContact CD1-CD1 4.18Å; I741-F746 HydrophobicContact CD1-CE1 3.48Å; I741-F746 VanDerWaalsContact CD1-CE1 3.48Å; I741-F746 HydrophobicContact CD1-CZ 4.11Å; I741-F746 HydrophobicContact CG1-CE1 3.73Å; I741-F746 HydrophobicContact CG1-CZ 4.47Å; F746-T748 HydrophobicContact CD2-CG2 4.16Å
747I76.9Confident75.9Confident11 Ų1160.2 Ų60.26%0.05632%0.319CS..EExtended strand (participates in β ladder)trans-102.4124.5175.1-37.6-170.4000109.4I588 E589 P657 Y736 R737I588-I747 HydrophobicContact CG2-CD1 3.59Å; I588-I747 HydrophobicContact CG2-CG1 3.72Å; E589-I747 PolarHBondContact O-N 2.91Å; P657-I747 HydrophobicContact CG-CB 3.98Å; P657-I747 HydrophobicContact CG-CG2 3.67Å; Y736-I747 WeakPolarHBondContact O-CA 3.33Å; Y736-I747 WeakPolarHBondContact O-CG2 3.49Å; R737-I747 HydrophobicContact CG-CD1 4.26Å; R737-I747 HydrophobicContact CG-CG1 4.13Å; R737-I747 HydrophobicContact CG-CG2 4.11Å
748T80.2Confident76.4Confident39 Ų3956.8 Ų56.824%0.23932%0.319CS..EExtended strand (participates in β ladder)trans-129.6167.2178.356.60000110.7Y736 F746Y736-T748 PolarHBondContact N-O 2.88Å; Y736-T748 PolarHBondContact O-N 3.15Å; F746-T748 HydrophobicContact CD2-CG2 4.16Å
749C85.6Confident77.4Confident19 Ų1962.2 Ų62.213%0.12834%0.342CS..EExtended strand (participates in β ladder)trans-84.9124163.7-67.30000108.7C662 S734C662-C749 WeakPolarHBondContact CA-SG 2.93Å; C662-C749 HydrophobicContact CB-CB 3.69Å; C662-C749 WeakPolarHBondContact CB-SG 3.49Å; C662-C749 VanDerWaalsContact SG-CA 3.57Å; C662-C749 WeakPolarHBondContact SG-CB 3.21Å; C662-C749 CovalentContact SG-SG 2.04Å; C662-C749 PolarHBondContact SG-SG 2.88Å; S734-C749 CarbonylContact O-C 3.6Å; S734-C749 WeakPolarHBondContact O-CA 3.47Å
750N85.9Confident78.5Confident81 Ų8158.1 Ų58.143%0.43333%0.326SS..EExtended strand (participates in β ladder)trans-82.8118.8163-177.8-6.5000107.9P733 S734 G752P733-N750 WeakPolarHBondContact CA-O 3.35Å; P733-N750 WeakPolarHBondContact CB-O 3.47Å; S734-N750 PolarHBondContact N-O 3.32Å; S734-N750 PolarHBondContact O-N 3.44Å; N750-G752 PolarHBondContact O-N 3.45Å; N750-G752 PolarHBondContact OD1-N 3.05Å
751E83.6Confident79.9Confident14 Ų1453.8 Ų53.87%0.06530%0.302CS..  trans-69-9.9179.9-67-66.4174.400113.6Q666 W727 S753 L757Q666-E751 VanDerWaalsContact CG-OE1 3.3Å; Q666-E751 WeakPolarHBondContact CG-OE1 3.48Å; Q666-E751 PolarHBondContact NE2-OE1 2.96Å; W727-E751 WeakPolarHBondContact CH2-OE2 3.26Å; W727-E751 HydrophobicContact CZ2-CB 4.23Å; W727-E751 WeakPolarHBondContact CZ2-O 3.26Å; W727-E751 VanDerWaalsContact CZ2-OE2 3.22Å; W727-E751 WeakPolarHBondContact CZ2-OE2 3.44Å; W727-E751 PolarHBondContact NE1-O 3.13Å; E751-S753 PolarHBondContact O-N 3.02Å; E751-L757 HydrophobicContact CG-CD2 4.4Å
752G83.6Confident81.3Confident48 Ų4851.5 Ų51.550%0.49530%0.3SS..SBendtrans72.6-36.4175.100000114.7N750N750-G752 PolarHBondContact O-N 3.45Å; N750-G752 PolarHBondContact OD1-N 3.05Å
753S87.3Confident82.8Confident37 Ų3749 Ų4926%0.25928%0.284SS..  trans-149102.9176.8-173.80000112E751 M755 A756 L757E751-S753 PolarHBondContact O-N 3.02Å; S753-M755 PolarHBondContact O-N 3.05Å; S753-A756 WeakPolarHBondContact O-CB 3.18Å; S753-A756 PolarHBondContact O-N 3.21Å; S753-A756 PolarHBondContact OG-N 2.95Å; S753-L757 PolarHBondContact O-N 3.37Å; S753-L757 VanDerWaalsContact O-N 3.15Å
754V84.5Confident84.2Confident96 Ų9643 Ų4358%0.58226%0.256SS*.Hα-helixtrans-57.9-31.4172.8-176.20000111.3G758V754-G758 PolarHBondContact O-N 2.98Å
755M84.8Confident85.3Confident137 Ų13742 Ų4268%0.67525%0.253SS*.Hα-helixtrans-61.1-43.3172.4-73.8-84.1-79.600112.1S753 G758 F759S753-M755 PolarHBondContact O-N 3.05Å; M755-G758 PolarHBondContact O-N 2.96Å; M755-F759 WeakPolarHBondContact O-CD2 3.27Å; M755-F759 PolarHBondContact O-N 3.01Å
756A86Confident86.4Confident13 Ų1346.3 Ų46.311%0.10728%0.276CS..Hα-helixtrans-70.5-41.6-179.500000112.6W727 S753 G758 F759 L760W727-A756 HydrophobicContact CB-CB 3.98Å; W727-A756 VanDerWaalsContact CD1-CB 3.42Å; W727-A756 HydrophobicContact CD2-CB 3.75Å; W727-A756 HydrophobicContact CG-CB 3.44Å; W727-A756 VanDerWaalsContact CG-CB 3.44Å; S753-A756 WeakPolarHBondContact O-CB 3.18Å; S753-A756 PolarHBondContact O-N 3.21Å; S753-A756 PolarHBondContact OG-N 2.95Å; A756-G758 VanDerWaalsContact C-N 3.27Å; A756-G758 PolarHBondContact O-N 2.66Å; A756-F759 PolarHBondContact O-N 2.86Å; A756-F759 VanDerWaalsContact O-N 3.15Å; A756-L760 PolarHBondContact O-N 3.14Å; A756-L760 VanDerWaalsContact O-N 3.11Å
757L86.3Confident87.1Confident9 Ų944.8 Ų44.85%0.04727%0.27CS..Hα-helixtrans-57-43.3169-179.864.5000111Q666 W727 E751 S753 F759 L760 I761Q666-L757 HydrophobicContact CB-CD1 4.48Å; Q666-L757 HydrophobicContact CG-CD1 4.13Å; W727-L757 HydrophobicContact CH2-CB 4.07Å; W727-L757 HydrophobicContact CH2-CD1 3.93Å; W727-L757 HydrophobicContact CZ2-CB 4.36Å; W727-L757 HydrophobicContact CZ3-CD1 4.41Å; E751-L757 HydrophobicContact CG-CD2 4.4Å; S753-L757 PolarHBondContact O-N 3.37Å; S753-L757 VanDerWaalsContact O-N 3.15Å; L757-F759 PolarHBondContact O-N 3.28Å; L757-L760 PolarHBondContact O-N 3.46Å; L757-I761 HydrophobicContact CD1-CD1 3.98Å; L757-I761 HydrophobicContact CD1-CG1 4.42Å; L757-I761 HydrophobicContact CG-CD1 3.97Å; L757-I761 WeakPolarHBondContact O-CG1 3.42Å; L757-I761 PolarHBondContact O-N 3.03Å
758G87.1Confident87.8Confident42 Ų4244.2 Ų44.243%0.43327%0.267SS..Hα-helixtrans-59-38.717400000113.9V754 M755 A756 G762V754-G758 PolarHBondContact O-N 2.98Å; M755-G758 PolarHBondContact O-N 2.96Å; A756-G758 VanDerWaalsContact C-N 3.27Å; A756-G758 PolarHBondContact O-N 2.66Å; G758-G762 WeakPolarHBondContact O-CA 3.41Å; G758-G762 PolarHBondContact O-N 3.49Å
759F90.1Very high88.2Confident133 Ų13344.4 Ų44.458%0.58327%0.272SS*.Hα-helixtrans-68.4-38.7174.4-74.5-62.2000113I723 M755 A756 L757 Y763I723-F759 HydrophobicContact CG2-CB 4.39Å; M755-F759 WeakPolarHBondContact O-CD2 3.27Å; M755-F759 PolarHBondContact O-N 3.01Å; A756-F759 PolarHBondContact O-N 2.86Å; A756-F759 VanDerWaalsContact O-N 3.15Å; L757-F759 PolarHBondContact O-N 3.28Å; F759-Y763 WeakPolarHBondContact O-CB 3.45Å; F759-Y763 PolarHBondContact O-N 3.41Å
760L90.7Very high88.4Confident1 Ų146.7 Ų46.71%0.00528%0.282CS..Hα-helixtrans-64.6-49.1176.5178147.6000111.9I723 W727 A756 L757 T764I723-L760 HydrophobicContact CG2-CB 4.47Å; W727-L760 HydrophobicContact CE3-CD1 4.4Å; W727-L760 HydrophobicContact CZ3-CD1 4.06Å; A756-L760 PolarHBondContact O-N 3.14Å; A756-L760 VanDerWaalsContact O-N 3.11Å; L757-L760 PolarHBondContact O-N 3.46Å; L760-T764 WeakPolarHBondContact O-CB 3.49Å; L760-T764 PolarHBondContact O-N 2.82Å; L760-T764 PolarHBondContact O-OG1 3.45Å
761I88.8Confident88.6Confident34 Ų3442.8 Ų42.817%0.17426%0.262CS..Hα-helixtrans-67.4-41.2177.8-62.1170.8000109.8L757 T764 C765 W802 F805L757-I761 HydrophobicContact CD1-CD1 3.98Å; L757-I761 HydrophobicContact CD1-CG1 4.42Å; L757-I761 HydrophobicContact CG-CD1 3.97Å; L757-I761 WeakPolarHBondContact O-CG1 3.42Å; L757-I761 PolarHBondContact O-N 3.03Å; I761-T764 WeakPolarHBondContact O-CB 3.36Å; I761-T764 PolarHBondContact O-N 3.08Å; I761-C765 WeakPolarHBondContact O-CB 3.47Å; I761-C765 PolarHBondContact O-N 3.2Å; I761-C765 PolarHBondContact O-SG 2.93Å; I761-W802 HydrophobicContact CD1-CZ3 4.01Å; I761-W802 HydrophobicContact CG1-CZ3 4.06Å; I761-W802 HydrophobicContact CG2-CE3 3.94Å; I761-W802 HydrophobicContact CG2-CZ3 4.17Å; I761-F805 HydrophobicContact CD1-CE1 4.26Å
762G90.8Very high88.8Confident38 Ų3844.7 Ų44.739%0.39227%0.27SS..Hα-helixtrans-60.1-46178.600000113.6G758 C765 L766G758-G762 WeakPolarHBondContact O-CA 3.41Å; G758-G762 PolarHBondContact O-N 3.49Å; G762-C765 PolarHBondContact O-N 3Å; G762-L766 WeakPolarHBondContact O-CB 3.49Å; G762-L766 PolarHBondContact O-N 3.28Å
763Y93.4Very high89Confident41 Ų4148.4 Ų48.416%0.16127%0.273CS..Hα-helixtrans-62.9-42.9175-176.5-98.4000111.6V674 C716 V719 Q720 I723 F759 C765 L766 L767V674-Y763 HydrophobicContact CG1-CE1 4.01Å; V674-Y763 HydrophobicContact CG2-CD1 4.12Å; V674-Y763 HydrophobicContact CG2-CE1 4.31Å; C716-Y763 PolarHBondContact O-OH 3.1Å; V719-Y763 HydrophobicContact CB-CE1 4.43Å; V719-Y763 HydrophobicContact CB-CE2 4.14Å; V719-Y763 HydrophobicContact CG1-CD2 4.03Å; V719-Y763 HydrophobicContact CG1-CE1 4.45Å; V719-Y763 HydrophobicContact CG1-CE2 3.56Å; Q720-Y763 HydrophobicContact CB-CD1 4.26Å; Q720-Y763 HydrophobicContact CB-CE1 4.31Å; I723-Y763 HydrophobicContact CD1-CD2 4.31Å; I723-Y763 HydrophobicContact CD1-CG 3.98Å; F759-Y763 WeakPolarHBondContact O-CB 3.45Å; F759-Y763 PolarHBondContact O-N 3.41Å; Y763-C765 PolarHBondContact O-N 3.05Å; Y763-L766 PolarHBondContact O-N 3.45Å; Y763-L767 HydrophobicContact CE1-CD2 4.42Å; Y763-L767 WeakPolarHBondContact O-CB 3.2Å; Y763-L767 PolarHBondContact O-N 3.49Å
764T90.8Very high88.8Confident3 Ų349.3 Ų49.32%0.01827%0.272CS..Hα-helixtrans-60-47177.6-57.90000111.6F673 V674 I677 L760 I761 L767 A768 F798F673-T764 HydrophobicContact CD1-CG2 3.63Å; F673-T764 HydrophobicContact CE1-CG2 4Å; V674-T764 HydrophobicContact CG2-CG2 4.42Å; I677-T764 HydrophobicContact CD1-CG2 4.12Å; L760-T764 WeakPolarHBondContact O-CB 3.49Å; L760-T764 PolarHBondContact O-N 2.82Å; L760-T764 PolarHBondContact O-OG1 3.45Å; I761-T764 WeakPolarHBondContact O-CB 3.36Å; I761-T764 PolarHBondContact O-N 3.08Å; T764-L767 PolarHBondContact O-N 2.72Å; T764-A768 WeakPolarHBondContact O-CB 3.37Å; T764-A768 PolarHBondContact O-N 2.95Å; T764-F798 HydrophobicContact CG2-CZ 4.1Å
765C90.4Very high88.8Confident35 Ų3544.7 Ų44.724%0.23624%0.244CC..Hα-helixtrans-66.2-37.8176.6-75.10000113.1I761 G762 Y763 A768 A769I761-C765 WeakPolarHBondContact O-CB 3.47Å; I761-C765 PolarHBondContact O-N 3.2Å; I761-C765 PolarHBondContact O-SG 2.93Å; G762-C765 PolarHBondContact O-N 3Å; Y763-C765 PolarHBondContact O-N 3.05Å; C765-A768 PolarHBondContact O-N 2.84Å; C765-A769 WeakPolarHBondContact O-CB 3.35Å; C765-A769 PolarHBondContact O-N 2.98Å
766L92Very high88.7Confident101 Ų10142.7 Ų42.753%0.52923%0.232SC..Hα-helixtrans-62.3-46.3174176.862.8000111.3G762 Y763 A768 A769 I770G762-L766 WeakPolarHBondContact O-CB 3.49Å; G762-L766 PolarHBondContact O-N 3.28Å; Y763-L766 PolarHBondContact O-N 3.45Å; L766-A768 VanDerWaalsContact C-N 3.35Å; L766-A768 PolarHBondContact O-N 3.29Å; L766-A769 WeakPolarHBondContact O-CB 3.33Å; L766-A769 PolarHBondContact O-N 3.47Å; L766-A769 VanDerWaalsContact O-N 3.15Å; L766-I770 HydrophobicContact CD1-CD1 4.2Å; L766-I770 HydrophobicContact CG-CD1 4.11Å; L766-I770 WeakPolarHBondContact O-CG1 3.38Å; L766-I770 PolarHBondContact O-N 2.75Å
767L90.9Very high88.3Confident8 Ų846 Ų464%0.04224%0.244CC..Hα-helixtrans-65.6-38.9178.3-162.771.6000111.4V674 I677 L681 C716 Y763 T764 A769 I770 C771V674-L767 HydrophobicContact CG1-CD2 3.91Å; I677-L767 HydrophobicContact CB-CD2 4.13Å; I677-L767 HydrophobicContact CG2-CB 4.21Å; I677-L767 HydrophobicContact CG2-CD2 3.86Å; I677-L767 HydrophobicContact CG2-CG 3.74Å; L681-L767 HydrophobicContact CD2-CD1 3.59Å; L681-L767 HydrophobicContact CD2-CG 4.26Å; C716-L767 HydrophobicContact CB-CD1 4.5Å; Y763-L767 HydrophobicContact CE1-CD2 4.42Å; Y763-L767 WeakPolarHBondContact O-CB 3.2Å; Y763-L767 PolarHBondContact O-N 3.49Å; T764-L767 PolarHBondContact O-N 2.72Å; L767-A769 VanDerWaalsContact C-N 3.32Å; L767-A769 PolarHBondContact O-N 3.07Å; L767-I770 PolarHBondContact O-N 2.69Å; L767-C771 VanDerWaalsContact O-CB 3.29Å; L767-C771 WeakPolarHBondContact O-CB 3.41Å; L767-C771 PolarHBondContact O-N 2.9Å
768A90.1Very high87.7Confident0 Ų045.7 Ų45.70%024%0.242CC..Hα-helixtrans-61.4-37.6171.500000112.4I677 T764 C765 L766 C771 F772 M795 F798 F799I677-A768 HydrophobicContact CD1-CB 3.96Å; T764-A768 WeakPolarHBondContact O-CB 3.37Å; T764-A768 PolarHBondContact O-N 2.95Å; C765-A768 PolarHBondContact O-N 2.84Å; L766-A768 VanDerWaalsContact C-N 3.35Å; L766-A768 PolarHBondContact O-N 3.29Å; A768-C771 PolarHBondContact O-N 3.25Å; A768-F772 WeakPolarHBondContact O-CB 3.45Å; A768-F772 PolarHBondContact O-N 2.98Å; A768-M795 HydrophobicContact CB-SD 4.39Å; A768-F798 HydrophobicContact CB-CD1 3.67Å; A768-F798 HydrophobicContact CB-CE1 3.38Å; A768-F798 HydrophobicContact CB-CZ 4.29Å; A768-F799 HydrophobicContact CB-CE1 4.35Å; A768-F799 HydrophobicContact CB-CE2 4.39Å; A768-F799 HydrophobicContact CB-CZ 3.83Å
769A90Very high87Confident43 Ų4347.7 Ų47.736%0.35524%0.237SC..Hα-helixtrans-70.3-42.5-179.800000111.6C765 L766 L767 C771 F772 F773 F799C765-A769 WeakPolarHBondContact O-CB 3.35Å; C765-A769 PolarHBondContact O-N 2.98Å; L766-A769 WeakPolarHBondContact O-CB 3.33Å; L766-A769 PolarHBondContact O-N 3.47Å; L766-A769 VanDerWaalsContact O-N 3.15Å; L767-A769 VanDerWaalsContact C-N 3.32Å; L767-A769 PolarHBondContact O-N 3.07Å; A769-C771 VanDerWaalsContact C-N 3.34Å; A769-F772 PolarHBondContact O-N 3.28Å; A769-F773 WeakPolarHBondContact O-CB 3.33Å; A769-F773 PolarHBondContact O-N 3.25Å; A769-F799 HydrophobicContact CB-CZ 3.9Å
770I90.3Very high85.9Confident66 Ų6649.9 Ų49.934%0.33825%0.246SC..Hα-helixtrans-61.1-44.9172.6-65.7165.7000110L681 L766 L767 F773 F774L681-I770 HydrophobicContact CD1-CG2 3.9Å; L681-I770 HydrophobicContact CD2-CG2 4.36Å; L766-I770 HydrophobicContact CD1-CD1 4.2Å; L766-I770 HydrophobicContact CG-CD1 4.11Å; L766-I770 WeakPolarHBondContact O-CG1 3.38Å; L766-I770 PolarHBondContact O-N 2.75Å; L767-I770 PolarHBondContact O-N 2.69Å; I770-F773 PolarHBondContact O-N 3.5Å; I770-F774 HydrophobicContact CG2-CD2 3.78Å; I770-F774 HydrophobicContact CG2-CE2 3.47Å; I770-F774 VanDerWaalsContact CG2-CE2 3.47Å; I770-F774 WeakPolarHBondContact O-CD2 3.46Å; I770-F774 PolarHBondContact O-N 2.96Å; I770-F774 VanDerWaalsContact O-N 3.09Å
771C88.8Confident84.6Confident0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-61.7-45175.1-175.60000112.3I677 I680 L681 L767 A768 A769 F773 F774 A775 M795I677-C771 HydrophobicContact CG2-CB 3.97Å; I680-C771 VanDerWaalsContact CG2-SG 3.56Å; L681-C771 HydrophobicContact CB-CB 4.39Å; L681-C771 HydrophobicContact CD1-CB 4.47Å; L767-C771 VanDerWaalsContact O-CB 3.29Å; L767-C771 WeakPolarHBondContact O-CB 3.41Å; L767-C771 PolarHBondContact O-N 2.9Å; A768-C771 PolarHBondContact O-N 3.25Å; A769-C771 VanDerWaalsContact C-N 3.34Å; C771-F773 PolarHBondContact O-N 2.88Å; C771-F774 PolarHBondContact O-N 3.14Å; C771-A775 WeakPolarHBondContact O-CB 3.42Å; C771-A775 PolarHBondContact O-N 2.78Å; C771-M795 HydrophobicContact CB-SD 4.28Å
772F88.9Confident83.2Confident53 Ų5352.9 Ų52.923%0.23227%0.265CS..Hα-helixtrans-61.7-42.7175.9177.5-93.3000112A768 A769 A775 F776 M795 L796 F799A768-F772 WeakPolarHBondContact O-CB 3.45Å; A768-F772 PolarHBondContact O-N 2.98Å; A769-F772 PolarHBondContact O-N 3.28Å; F772-A775 PolarHBondContact O-N 3.31Å; F772-F776 HydrophobicContact CE1-CD2 4.28Å; F772-F776 HydrophobicContact CZ-CD2 4.25Å; F772-F776 WeakPolarHBondContact O-CB 3.41Å; F772-F776 PolarHBondContact O-N 3.02Å; F772-M795 HydrophobicContact CB-CB 4.1Å; F772-M795 HydrophobicContact CD2-CB 3.94Å; F772-L796 HydrophobicContact CE2-CB 4.42Å; F772-F799 HydrophobicContact CB-CE2 4.05Å; F772-F799 HydrophobicContact CG-CE2 4.4Å
773F87.1Confident81.4Confident126 Ų12655.1 Ų55.155%0.55327%0.265SS*.Hα-helixtrans-60.8-50177.5174.9-99000112A769 I770 C771 F776 K777A769-F773 WeakPolarHBondContact O-CB 3.33Å; A769-F773 PolarHBondContact O-N 3.25Å; I770-F773 PolarHBondContact O-N 3.5Å; C771-F773 PolarHBondContact O-N 2.88Å; F773-F776 PolarHBondContact O-N 3.13Å; F773-K777 WeakPolarHBondContact O-CB 3.48Å; F773-K777 PolarHBondContact O-N 3.18Å
774F83.6Confident79.3Confident56 Ų5655.8 Ų55.825%0.24627%0.272CS..Hα-helixtrans-65.6-41.3177.6-71.2-52.1000112.2L681 L688 I770 C771 F776 K777 S778L681-F774 HydrophobicContact CD1-CD2 3.51Å; L681-F774 HydrophobicContact CD1-CE2 3.96Å; L688-F774 HydrophobicContact CD1-CB 3.68Å; L688-F774 HydrophobicContact CD1-CD1 3.4Å; L688-F774 HydrophobicContact CD1-CE1 4.36Å; L688-F774 HydrophobicContact CD1-CG 3.9Å; I770-F774 HydrophobicContact CG2-CD2 3.78Å; I770-F774 HydrophobicContact CG2-CE2 3.47Å; I770-F774 VanDerWaalsContact CG2-CE2 3.47Å; I770-F774 WeakPolarHBondContact O-CD2 3.46Å; I770-F774 PolarHBondContact O-N 2.96Å; I770-F774 VanDerWaalsContact O-N 3.09Å; C771-F774 PolarHBondContact O-N 3.14Å; F774-F776 PolarHBondContact O-N 3.32Å; F774-K777 PolarHBondContact O-N 2.84Å; F774-S778 PolarHBondContact O-N 3.02Å; F774-S778 PolarHBondContact O-OG 3.49Å
775A83Confident77.4Confident0 Ų060.1 Ų60.10%029%0.29CS..Hα-helixtrans-63.6-41.3175.300000111.6T684 C771 F772 K777 S778 R779 I791 T792T684-A775 HydrophobicContact CG2-CB 4.22Å; C771-A775 WeakPolarHBondContact O-CB 3.42Å; C771-A775 PolarHBondContact O-N 2.78Å; F772-A775 PolarHBondContact O-N 3.31Å; A775-K777 PolarHBondContact O-N 3.18Å; A775-S778 WeakPolarHBondContact CA-OG 3.47Å; A775-S778 PolarHBondContact O-N 3.45Å; A775-S778 PolarHBondContact O-OG 3.47Å; A775-R779 PolarHBondContact O-N 3.47Å; A775-I791 HydrophobicContact CB-CB 4.44Å; A775-I791 HydrophobicContact CB-CG2 3.71Å; A775-T792 HydrophobicContact CB-CG2 3.39Å
776F82.9Confident75.9Confident95 Ų9561.5 Ų61.542%0.41730%0.298SS..Hα-helixtrans-59.8-46.7174.4-176.7-74000111F772 F773 F774 S778 R779 T792F772-F776 HydrophobicContact CE1-CD2 4.28Å; F772-F776 HydrophobicContact CZ-CD2 4.25Å; F772-F776 WeakPolarHBondContact O-CB 3.41Å; F772-F776 PolarHBondContact O-N 3.02Å; F773-F776 PolarHBondContact O-N 3.13Å; F774-F776 PolarHBondContact O-N 3.32Å; F776-S778 VanDerWaalsContact C-N 3.32Å; F776-S778 PolarHBondContact O-N 2.79Å; F776-R779 VanDerWaalsContact O-CB 3.27Å; F776-R779 WeakPolarHBondContact O-CB 3.49Å; F776-R779 WeakPolarHBondContact O-CG 3.34Å; F776-R779 PolarHBondContact O-N 2.85Å; F776-T792 HydrophobicContact CB-CG2 4.34Å; F776-T792 VanDerWaalsContact N-CG2 3.26Å
777K78.8Confident74.9Confident81 Ų8158.7 Ų58.735%0.35228%0.282SS..Hα-helixtrans-59.1-44.5176.9-163.1-175.5-168.1-158.50111.2L688 E692 F773 F774 A775 R779 K780L688-K777 HydrophobicContact CD1-CD 4.34Å; L688-K777 HydrophobicContact CD2-CB 4.11Å; L688-K777 HydrophobicContact CD2-CD 4.06Å; L688-K777 HydrophobicContact CD2-CG 4.07Å; E692-K777 WeakPolarHBondContact OE1-CE 3.36Å; E692-K777 IonicContact OE1-NZ 2.94Å; E692-K777 PolarHBondContact OE1-NZ 3.31Å; E692-K777 WeakPolarHBondContact OE2-CE 3.35Å; E692-K777 IonicContact OE2-NZ 2.75Å; E692-K777 PolarHBondContact OE2-NZ 3.34Å; F773-K777 WeakPolarHBondContact O-CB 3.48Å; F773-K777 PolarHBondContact O-N 3.18Å; F774-K777 PolarHBondContact O-N 2.84Å; A775-K777 PolarHBondContact O-N 3.18Å; K777-R779 VanDerWaalsContact C-N 3.26Å; K777-R779 PolarHBondContact O-N 3.22Å; K777-K780 PolarHBondContact O-N 2.92Å
778S72.8Confident74.2Confident3 Ų359.4 Ų59.42%0.02129%0.29CS..Hα-helixtrans-69.1-15.2-179.972.10000114.6F774 A775 F776 K780 L781 A788F774-S778 PolarHBondContact O-N 3.02Å; F774-S778 PolarHBondContact O-OG 3.49Å; A775-S778 WeakPolarHBondContact CA-OG 3.47Å; A775-S778 PolarHBondContact O-N 3.45Å; A775-S778 PolarHBondContact O-OG 3.47Å; F776-S778 VanDerWaalsContact C-N 3.32Å; F776-S778 PolarHBondContact O-N 2.79Å; S778-K780 PolarHBondContact O-N 3.42Å; S778-L781 WeakPolarHBondContact O-CB 3.48Å; S778-L781 PolarHBondContact O-N 3.02Å; S778-A788 WeakPolarHBondContact OG-CB 3.5Å
779R73.2Confident73.7Confident85 Ų8564.7 Ų64.732%0.32131%0.312SS..THydrogen-bonded Turntrans-55.5-23.3173.1-64.9175.4178.7172.52114A775 F776 K777 K789 T792A775-R779 PolarHBondContact O-N 3.47Å; F776-R779 VanDerWaalsContact O-CB 3.27Å; F776-R779 WeakPolarHBondContact O-CB 3.49Å; F776-R779 WeakPolarHBondContact O-CG 3.34Å; F776-R779 PolarHBondContact O-N 2.85Å; K777-R779 VanDerWaalsContact C-N 3.26Å; K777-R779 PolarHBondContact O-N 3.22Å; R779-K789 HydrophobicContact CG-CG 4.47Å; R779-T792 HydrophobicContact CG-CG2 4.35Å; R779-T792 PolarHBondContact NE-OG1 3.31Å; R779-T792 PolarHBondContact NH2-OG1 3.15Å
780K67.3Low73.4Confident178 Ų17865.8 Ų65.877%0.77431%0.309SS*.THydrogen-bonded Turntrans-87.6-10.8179.9-65.5-179.3-179.7176.50113.4K777 S778K777-K780 PolarHBondContact O-N 2.92Å; S778-K780 PolarHBondContact O-N 3.42Å
781L63.6Low73.1Confident45 Ų4562.8 Ų62.824%0.23629%0.294CS..  trans-84.4134.7-178.7-63.7178.4000111V687 L688 F691 S778V687-L781 HydrophobicContact CG1-CD1 4.22Å; L688-L781 HydrophobicContact CD2-CD1 3.88Å; F691-L781 HydrophobicContact CB-CD1 3.82Å; F691-L781 HydrophobicContact CB-CD2 3.75Å; F691-L781 HydrophobicContact CB-CG 4.3Å; F691-L781 HydrophobicContact CD2-CD1 4.12Å; F691-L781 HydrophobicContact CG-CD1 4.34Å; S778-L781 WeakPolarHBondContact O-CB 3.48Å; S778-L781 PolarHBondContact O-N 3.02Å
782P58.9Low72.9Confident53 Ų5362.8 Ų62.834%0.34429%0.294SS..  trans-112.372-169.441.5-33.7000113.5H863 V867P782-H863 WeakPolarHBondContact CB-CE1 3.48Å; P782-H863 WeakPolarHBondContact CB-ND1 3.48Å; P782-H863 WeakPolarHBondContact CG-CE1 3.16Å; P782-H863 VanDerWaalsContact CG-ND1 3.33Å; P782-H863 WeakPolarHBondContact CG-ND1 3.33Å; P782-V867 HydrophobicContact CG-CG2 4.39Å
783E52.3Low72.9Confident85 Ų8565.4 Ų65.440%0.39731%0.306SS..SBendtrans-142.8126.9162.7-116.7-176.4-97.400112.3F691 T860F691-E783 HydrophobicContact CE1-CB 4.14Å; F691-E783 HydrophobicContact CE1-CG 4.49Å; F691-E783 WeakPolarHBondContact CE1-OE1 3.23Å; F691-E783 HydrophobicContact CE2-CB 4.3Å; F691-E783 HydrophobicContact CZ-CB 3.56Å; F691-E783 HydrophobicContact CZ-CG 4.23Å; E783-T860 VanDerWaalsContact CD-CG2 3.41Å; E783-T860 HydrophobicContact CG-CG2 4.21Å; E783-T860 WeakPolarHBondContact CG-OG1 3.34Å; E783-T860 WeakPolarHBondContact OE1-CG2 3.43Å; E783-T860 WeakPolarHBondContact OE2-CG2 3.18Å; E783-T860 PolarHBondContact OE2-OG1 2.03Å
784N50Low73Confident55 Ų5559.5 Ų59.529%0.29428%0.28SS..SBendtrans57.175.5161.4-60.7-41.8000117.7T860N784-T860 PolarHBondContact ND2-OG1 3.32Å
785F50.9Low73.2Confident94 Ų9456.8 Ų56.841%0.41227%0.268SS..SBendtrans66.984150.7-58.2-80.4000119E787F785-E787 PolarHBondContact O-N 2.87Å
786T59.5Low73.5Confident65 Ų6560.3 Ų60.340%0.39929%0.286SS..SBendtrans55.1-614845.50000119.9A788 K789 F790T786-A788 PolarHBondContact O-N 3.23Å; T786-K789 WeakPolarHBondContact O-CA 3.47Å; T786-K789 WeakPolarHBondContact O-CB 3.29Å; T786-K789 PolarHBondContact O-N 3.29Å; T786-F790 WeakPolarHBondContact O-CD2 3.49Å; T786-F790 PolarHBondContact O-N 2.99Å; T786-F790 WeakPolarHBondContact OG1-CE2 3.43Å
787E71.3Confident73.8Confident41 Ų4158.9 Ų58.919%0.19228%0.282CS..Hα-helixtrans-59.2-42.8-174.1-179.1160.1-142.600112.4K683 F785 K789 F790 I791 K840K683-E787 WeakPolarHBondContact CE-OE1 3.42Å; K683-E787 IonicContact NZ-OE1 2.62Å; K683-E787 PolarHBondContact NZ-OE1 2.92Å; F785-E787 PolarHBondContact O-N 2.87Å; E787-K789 VanDerWaalsContact C-N 3.28Å; E787-K789 PolarHBondContact O-N 2.98Å; E787-F790 PolarHBondContact O-N 3.04Å; E787-I791 HydrophobicContact CG-CD1 3.68Å; E787-I791 HydrophobicContact CG-CG1 4.34Å; E787-I791 WeakPolarHBondContact O-CB 3.35Å; E787-I791 VanDerWaalsContact O-CG1 3.25Å; E787-I791 WeakPolarHBondContact O-CG1 3.4Å; E787-I791 PolarHBondContact O-N 3.02Å; E787-K840 IonicContact OE1-NZ 2.85Å; E787-K840 PolarHBondContact OE1-NZ 3.44Å; E787-K840 IonicContact OE2-NZ 3.35Å; E787-K840 PolarHBondContact OE2-NZ 3.4Å
788A74.7Confident74.4Confident24 Ų2455.1 Ų55.120%0.19827%0.266CS..Hα-helixtrans-57.1-38.4172.200000113.3S778 T786 T792S778-A788 WeakPolarHBondContact OG-CB 3.5Å; T786-A788 PolarHBondContact O-N 3.23Å; A788-T792 WeakPolarHBondContact O-CG2 3.46Å; A788-T792 PolarHBondContact O-N 3.01Å; A788-T792 VanDerWaalsContact O-N 3.14Å; A788-T792 PolarHBondContact O-OG1 3.4Å
789K79.6Confident75.2Confident110 Ų11057.1 Ų57.148%0.47827%0.274SS..Hα-helixtrans-70-49.1178.2-62-174.1180-177.60110.4R779 T786 E787 I791 T792 F793R779-K789 HydrophobicContact CG-CG 4.47Å; T786-K789 WeakPolarHBondContact O-CA 3.47Å; T786-K789 WeakPolarHBondContact O-CB 3.29Å; T786-K789 PolarHBondContact O-N 3.29Å; E787-K789 VanDerWaalsContact C-N 3.28Å; E787-K789 PolarHBondContact O-N 2.98Å; K789-I791 PolarHBondContact O-N 2.95Å; K789-T792 PolarHBondContact O-N 3.03Å; K789-T792 VanDerWaalsContact O-N 3.09Å; K789-T792 PolarHBondContact O-OG1 3.44Å; K789-F793 HydrophobicContact CB-CE2 4.36Å; K789-F793 WeakPolarHBondContact O-CD2 3.32Å; K789-F793 PolarHBondContact O-N 2.82Å
790F83.9Confident76.1Confident66 Ų6657.7 Ų57.729%0.28928%0.283SS..Hα-helixtrans-63.1-39.3178.2-69.9-55000113.1T786 E787 T792 F793 S794 C835 N839T786-F790 WeakPolarHBondContact O-CD2 3.49Å; T786-F790 PolarHBondContact O-N 2.99Å; T786-F790 WeakPolarHBondContact OG1-CE2 3.43Å; E787-F790 PolarHBondContact O-N 3.04Å; F790-T792 VanDerWaalsContact C-N 3.31Å; F790-T792 PolarHBondContact O-N 2.85Å; F790-F793 HydrophobicContact CD1-CD2 4.35Å; F790-F793 PolarHBondContact O-N 2.96Å; F790-F793 VanDerWaalsContact O-N 3.15Å; F790-S794 WeakPolarHBondContact O-CB 3.27Å; F790-S794 PolarHBondContact O-N 3.18Å; F790-C835 HydrophobicContact CB-CB 4.3Å; F790-C835 VanDerWaalsContact CB-O 3.28Å; F790-C835 WeakPolarHBondContact CB-O 3.39Å; F790-C835 WeakPolarHBondContact O-CB 3.37Å; F790-N839 HydrophobicContact CE2-CB 4.13Å
791I84.8Confident77.3Confident4 Ų450.5 Ų50.52%0.02125%0.254CS..Hα-helixtrans-59.7-42171.4-70.3166.4000110.5I680 T684 A775 E787 K789 F793 S794 M795 I836I680-I791 HydrophobicContact CG2-CD1 4.14Å; I680-I791 HydrophobicContact CG2-CG1 4.21Å; I680-I791 HydrophobicContact CG2-CG2 3.49Å; I680-I791 VanDerWaalsContact CG2-CG2 3.49Å; T684-I791 HydrophobicContact CG2-CD1 3.79Å; T684-I791 HydrophobicContact CG2-CG2 4.14Å; A775-I791 HydrophobicContact CB-CB 4.44Å; A775-I791 HydrophobicContact CB-CG2 3.71Å; E787-I791 HydrophobicContact CG-CD1 3.68Å; E787-I791 HydrophobicContact CG-CG1 4.34Å; E787-I791 WeakPolarHBondContact O-CB 3.35Å; E787-I791 VanDerWaalsContact O-CG1 3.25Å; E787-I791 WeakPolarHBondContact O-CG1 3.4Å; E787-I791 PolarHBondContact O-N 3.02Å; K789-I791 PolarHBondContact O-N 2.95Å; I791-F793 PolarHBondContact O-N 3.41Å; I791-S794 WeakPolarHBondContact O-CB 3.34Å; I791-S794 PolarHBondContact O-N 3.21Å; I791-M795 HydrophobicContact CG2-CG 4.41Å; I791-M795 WeakPolarHBondContact O-CG 3.04Å; I791-M795 PolarHBondContact O-N 3.47Å; I791-I836 HydrophobicContact CG1-CG1 4.23Å
792T85.1Confident78.6Confident0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-70.7-26.317558.70000115A775 F776 R779 A788 K789 F790 L796A775-T792 HydrophobicContact CB-CG2 3.39Å; F776-T792 HydrophobicContact CB-CG2 4.34Å; F776-T792 VanDerWaalsContact N-CG2 3.26Å; R779-T792 HydrophobicContact CG-CG2 4.35Å; R779-T792 PolarHBondContact NE-OG1 3.31Å; R779-T792 PolarHBondContact NH2-OG1 3.15Å; A788-T792 WeakPolarHBondContact O-CG2 3.46Å; A788-T792 PolarHBondContact O-N 3.01Å; A788-T792 VanDerWaalsContact O-N 3.14Å; A788-T792 PolarHBondContact O-OG1 3.4Å; K789-T792 PolarHBondContact O-N 3.03Å; K789-T792 VanDerWaalsContact O-N 3.09Å; K789-T792 PolarHBondContact O-OG1 3.44Å; F790-T792 VanDerWaalsContact C-N 3.31Å; F790-T792 PolarHBondContact O-N 2.85Å; T792-L796 VanDerWaalsContact O-CB 3.27Å; T792-L796 WeakPolarHBondContact O-CB 3.22Å; T792-L796 PolarHBondContact O-N 3.5Å; T792-L796 VanDerWaalsContact O-N 3.08Å
793F87.1Confident80.1Confident108 Ų10852.2 Ų52.247%0.47426%0.258SS..Hα-helixtrans-71.1-42.9171-71-57.9000110.7K789 F790 I791 M795 L796 I797K789-F793 HydrophobicContact CB-CE2 4.36Å; K789-F793 WeakPolarHBondContact O-CD2 3.32Å; K789-F793 PolarHBondContact O-N 2.82Å; F790-F793 HydrophobicContact CD1-CD2 4.35Å; F790-F793 PolarHBondContact O-N 2.96Å; F790-F793 VanDerWaalsContact O-N 3.15Å; I791-F793 PolarHBondContact O-N 3.41Å; F793-M795 PolarHBondContact O-N 3.07Å; F793-L796 PolarHBondContact O-N 2.97Å; F793-I797 VanDerWaalsContact O-CG1 3.32Å; F793-I797 WeakPolarHBondContact O-CG1 3.33Å; F793-I797 PolarHBondContact O-N 3.28Å
794S89.3Confident81.9Confident1 Ų151.7 Ų51.71%0.00726%0.263CS..Hα-helixtrans-56.4-49.5173.3178.10000112.7F790 I791 L796 I797 F798 Q832F790-S794 WeakPolarHBondContact O-CB 3.27Å; F790-S794 PolarHBondContact O-N 3.18Å; I791-S794 WeakPolarHBondContact O-CB 3.34Å; I791-S794 PolarHBondContact O-N 3.21Å; S794-L796 VanDerWaalsContact C-N 3.31Å; S794-L796 PolarHBondContact O-N 2.69Å; S794-I797 PolarHBondContact O-N 2.93Å; S794-F798 PolarHBondContact O-N 3.48Å; S794-Q832 WeakPolarHBondContact OG-CA 3.2Å; S794-Q832 VanDerWaalsContact OG-CG 3.29Å; S794-Q832 WeakPolarHBondContact OG-CG 3.33Å
795M89.1Confident83.8Confident0 Ų049.8 Ų49.80%025%0.252CS..Hα-helixtrans-67.6-30.2177.9-66.1-67128.700112.4I677 I680 A768 C771 F772 I791 F793 F799I677-M795 HydrophobicContact CG1-CE 4.37Å; I680-M795 HydrophobicContact CD1-CE 3.67Å; I680-M795 HydrophobicContact CG2-CE 4.49Å; A768-M795 HydrophobicContact CB-SD 4.39Å; C771-M795 HydrophobicContact CB-SD 4.28Å; F772-M795 HydrophobicContact CB-CB 4.1Å; F772-M795 HydrophobicContact CD2-CB 3.94Å; I791-M795 HydrophobicContact CG2-CG 4.41Å; I791-M795 WeakPolarHBondContact O-CG 3.04Å; I791-M795 PolarHBondContact O-N 3.47Å; F793-M795 PolarHBondContact O-N 3.07Å; M795-F799 WeakPolarHBondContact O-CD2 3.31Å; M795-F799 PolarHBondContact O-N 3.13Å; M795-F799 VanDerWaalsContact O-N 3.16Å
796L88.6Confident85.5Confident74 Ų7449.7 Ų49.739%0.38726%0.256SS..Hα-helixtrans-69.9-41.7173.6-175.566.5000111.9F772 T792 F793 S794 F798 F799 I800F772-L796 HydrophobicContact CE2-CB 4.42Å; T792-L796 VanDerWaalsContact O-CB 3.27Å; T792-L796 WeakPolarHBondContact O-CB 3.22Å; T792-L796 PolarHBondContact O-N 3.5Å; T792-L796 VanDerWaalsContact O-N 3.08Å; F793-L796 PolarHBondContact O-N 2.97Å; S794-L796 VanDerWaalsContact C-N 3.31Å; S794-L796 PolarHBondContact O-N 2.69Å; L796-F798 VanDerWaalsContact C-N 3.32Å; L796-F798 PolarHBondContact O-N 3.2Å; L796-F799 PolarHBondContact O-N 2.63Å; L796-I800 HydrophobicContact CG-CD1 4.21Å; L796-I800 WeakPolarHBondContact O-CG1 3.48Å; L796-I800 PolarHBondContact O-N 2.87Å
797I90.1Very high86.8Confident65 Ų6550.4 Ų50.433%0.33326%0.261SS..Hα-helixtrans-59.8-44.6174.2-69.4162.3000110.1F793 S794 F799 I800 V801F793-I797 VanDerWaalsContact O-CG1 3.32Å; F793-I797 WeakPolarHBondContact O-CG1 3.33Å; F793-I797 PolarHBondContact O-N 3.28Å; S794-I797 PolarHBondContact O-N 2.93Å; I797-F799 PolarHBondContact O-N 2.65Å; I797-I800 PolarHBondContact O-N 3.16Å; I797-V801 HydrophobicContact CG2-CG2 4.41Å; I797-V801 WeakPolarHBondContact O-CG2 3.5Å; I797-V801 PolarHBondContact O-N 2.72Å
798F90.2Very high87.7Confident2 Ų250 Ų501%0.00926%0.264CS..Hα-helixtrans-54.7-49.9173.8169.8-98.4000112.1F673 T764 A768 S794 L796 I800 V801 W802F673-F798 HydrophobicContact CD1-CE2 4.33Å; F673-F798 AromaticContact CE1-CD2 3.61Å; F673-F798 HydrophobicContact CE1-CD2 3.61Å; F673-F798 AromaticContact CE1-CE2 3.26Å; F673-F798 HydrophobicContact CE1-CE2 3.26Å; F673-F798 HydrophobicContact CE1-CZ 4.01Å; F673-F798 AromaticContact CZ-CD2 3.45Å; F673-F798 HydrophobicContact CZ-CD2 3.45Å; F673-F798 VanDerWaalsContact CZ-CD2 3.45Å; F673-F798 AromaticContact CZ-CE2 3.6Å; F673-F798 HydrophobicContact CZ-CE2 3.6Å; F673-F798 HydrophobicContact CZ-CG 4.42Å; T764-F798 HydrophobicContact CG2-CZ 4.1Å; A768-F798 HydrophobicContact CB-CD1 3.67Å; A768-F798 HydrophobicContact CB-CE1 3.38Å; A768-F798 HydrophobicContact CB-CZ 4.29Å; S794-F798 PolarHBondContact O-N 3.48Å; L796-F798 VanDerWaalsContact C-N 3.32Å; L796-F798 PolarHBondContact O-N 3.2Å; F798-I800 VanDerWaalsContact C-N 3.35Å; F798-I800 PolarHBondContact O-N 2.76Å; F798-V801 PolarHBondContact O-N 2.72Å; F798-W802 AromaticContact CD2-CD1 3.32Å; F798-W802 HydrophobicContact CD2-CG 4.25Å; F798-W802 AromaticContact CD2-NE1 3.6Å; F798-W802 AromaticContact CE2-CD1 3.13Å; F798-W802 HydrophobicContact CE2-CD2 4.21Å; F798-W802 AromaticContact CE2-CE2 3.99Å; F798-W802 AromaticContact CE2-CG 3.73Å; F798-W802 HydrophobicContact CE2-CG 3.73Å; F798-W802 AromaticContact CE2-NE1 3.28Å; F798-W802 VanDerWaalsContact CE2-NE1 3.28Å; F798-W802 AromaticContact CZ-CD1 3.84Å; F798-W802 HydrophobicContact CZ-CG 4.01Å; F798-W802 PolarHBondContact O-N 2.99Å
799F90.5Very high88.2Confident44 Ų4451 Ų5119%0.19326%0.263CS..Hα-helixtrans-61.9-39.6178.6-77.8-58.8000113.5A768 A769 F772 M795 L796 I797 I803A768-F799 HydrophobicContact CB-CE1 4.35Å; A768-F799 HydrophobicContact CB-CE2 4.39Å; A768-F799 HydrophobicContact CB-CZ 3.83Å; A769-F799 HydrophobicContact CB-CZ 3.9Å; F772-F799 HydrophobicContact CB-CE2 4.05Å; F772-F799 HydrophobicContact CG-CE2 4.4Å; M795-F799 WeakPolarHBondContact O-CD2 3.31Å; M795-F799 PolarHBondContact O-N 3.13Å; M795-F799 VanDerWaalsContact O-N 3.16Å; L796-F799 PolarHBondContact O-N 2.63Å; I797-F799 PolarHBondContact O-N 2.65Å; F799-I803 VanDerWaalsContact O-CB 3.3Å; F799-I803 WeakPolarHBondContact O-CB 3.46Å; F799-I803 WeakPolarHBondContact O-CD1 3.14Å; F799-I803 WeakPolarHBondContact O-CG1 3.39Å; F799-I803 PolarHBondContact O-N 3.12Å
800I91.8Very high88.4Confident98 Ų9852.1 Ų52.150%0.50327%0.269SS..Hα-helixtrans-61.7-49.3176.6-66.9164000110.1L796 I797 F798 W802 I803 S804L796-I800 HydrophobicContact CG-CD1 4.21Å; L796-I800 WeakPolarHBondContact O-CG1 3.48Å; L796-I800 PolarHBondContact O-N 2.87Å; I797-I800 PolarHBondContact O-N 3.16Å; F798-I800 VanDerWaalsContact C-N 3.35Å; F798-I800 PolarHBondContact O-N 2.76Å; I800-W802 PolarHBondContact O-N 2.77Å; I800-I803 PolarHBondContact O-N 3.43Å; I800-S804 WeakPolarHBondContact O-CB 3.4Å; I800-S804 PolarHBondContact O-N 3.06Å; I800-S804 PolarHBondContact O-OG 3.48Å
801V92.8Very high88.4Confident27 Ų2752.7 Ų52.716%0.16428%0.281CS..Hα-helixtrans-59.7-46.9179.9171.50000111.8I797 F798 S804 F805 A824 A827I797-V801 HydrophobicContact CG2-CG2 4.41Å; I797-V801 WeakPolarHBondContact O-CG2 3.5Å; I797-V801 PolarHBondContact O-N 2.72Å; F798-V801 PolarHBondContact O-N 2.72Å; V801-S804 PolarHBondContact O-N 3.02Å; V801-F805 WeakPolarHBondContact O-CB 3.41Å; V801-F805 PolarHBondContact O-N 2.78Å; V801-A824 HydrophobicContact CG1-CB 3.88Å; V801-A824 WeakPolarHBondContact CG1-O 2.94Å; V801-A827 HydrophobicContact CG1-CB 4.3Å; V801-A827 HydrophobicContact CG2-CB 3.97Å
802W90.4Very high88.4Confident17 Ų1754.1 Ų54.16%0.06429%0.29CS..Hα-helixtrans-79.6-21.6-175.7-75.279.8000114.4F669 I761 F798 I800 F805 A824 I825 S828F669-W802 HydrophobicContact CD1-CH2 4.41Å; F669-W802 AromaticContact CE1-CH2 3.56Å; F669-W802 HydrophobicContact CE1-CH2 3.56Å; F669-W802 AromaticContact CE1-CZ2 3.48Å; F669-W802 HydrophobicContact CE1-CZ2 3.48Å; F669-W802 VanDerWaalsContact CE1-CZ2 3.48Å; F669-W802 HydrophobicContact CZ-CH2 4.12Å; F669-W802 AromaticContact CZ-CZ2 3.53Å; F669-W802 HydrophobicContact CZ-CZ2 3.53Å; I761-W802 HydrophobicContact CD1-CZ3 4.01Å; I761-W802 HydrophobicContact CG1-CZ3 4.06Å; I761-W802 HydrophobicContact CG2-CE3 3.94Å; I761-W802 HydrophobicContact CG2-CZ3 4.17Å; F798-W802 AromaticContact CD2-CD1 3.32Å; F798-W802 HydrophobicContact CD2-CG 4.25Å; F798-W802 AromaticContact CD2-NE1 3.6Å; F798-W802 AromaticContact CE2-CD1 3.13Å; F798-W802 HydrophobicContact CE2-CD2 4.21Å; F798-W802 AromaticContact CE2-CE2 3.99Å; F798-W802 AromaticContact CE2-CG 3.73Å; F798-W802 HydrophobicContact CE2-CG 3.73Å; F798-W802 AromaticContact CE2-NE1 3.28Å; F798-W802 VanDerWaalsContact CE2-NE1 3.28Å; F798-W802 AromaticContact CZ-CD1 3.84Å; F798-W802 HydrophobicContact CZ-CG 4.01Å; F798-W802 PolarHBondContact O-N 2.99Å; I800-W802 PolarHBondContact O-N 2.77Å; W802-F805 AromaticContact CE3-CD1 3.84Å; W802-F805 HydrophobicContact CE3-CD1 3.84Å; W802-F805 HydrophobicContact CE3-CE1 4.41Å; W802-F805 HydrophobicContact CE3-CG 4.38Å; W802-F805 AromaticContact CZ3-CD1 3.83Å; W802-F805 HydrophobicContact CZ3-CD1 3.83Å; W802-F805 AromaticContact CZ3-CE1 3.97Å; W802-F805 HydrophobicContact CZ3-CE1 3.97Å; W802-F805 HydrophobicContact CZ3-CG 4.46Å; W802-A824 HydrophobicContact CZ2-CB 4.39Å; W802-I825 HydrophobicContact CZ2-CG1 4.48Å; W802-S828 PolarHBondContact NE1-OG 2.98Å
803I89.7Confident88.1Confident116 Ų11663.1 Ų63.160%0.59533%0.325SS*.Hα-helixtrans-72.6-40.1166.8-69.7167.4000110.4F799 I800 P807F799-I803 VanDerWaalsContact O-CB 3.3Å; F799-I803 WeakPolarHBondContact O-CB 3.46Å; F799-I803 WeakPolarHBondContact O-CD1 3.14Å; F799-I803 WeakPolarHBondContact O-CG1 3.39Å; F799-I803 PolarHBondContact O-N 3.12Å; I800-I803 PolarHBondContact O-N 3.43Å; I803-P807 WeakPolarHBondContact O-CD 3.44Å
804S90.4Very high87.7Confident74 Ų7459 Ų5952%0.51731%0.313SS..Hα-helixtrans-71-27.2175.2-680000113.8I800 V801 P807I800-S804 WeakPolarHBondContact O-CB 3.4Å; I800-S804 PolarHBondContact O-N 3.06Å; I800-S804 PolarHBondContact O-OG 3.48Å; V801-S804 PolarHBondContact O-N 3.02Å; S804-P807 WeakPolarHBondContact O-CD 3.44Å
805F89.7Confident87.1Confident15 Ų1560.6 Ų60.67%0.06632%0.32CS..Hα-helixtrans-61.4-44.7176.7171.1-108.6000112.8I761 V801 W802 A808 Y809 V820 E821 A824I761-F805 HydrophobicContact CD1-CE1 4.26Å; V801-F805 WeakPolarHBondContact O-CB 3.41Å; V801-F805 PolarHBondContact O-N 2.78Å; W802-F805 AromaticContact CE3-CD1 3.84Å; W802-F805 HydrophobicContact CE3-CD1 3.84Å; W802-F805 HydrophobicContact CE3-CE1 4.41Å; W802-F805 HydrophobicContact CE3-CG 4.38Å; W802-F805 AromaticContact CZ3-CD1 3.83Å; W802-F805 HydrophobicContact CZ3-CD1 3.83Å; W802-F805 AromaticContact CZ3-CE1 3.97Å; W802-F805 HydrophobicContact CZ3-CE1 3.97Å; W802-F805 HydrophobicContact CZ3-CG 4.46Å; F805-A808 PolarHBondContact O-N 2.77Å; F805-Y809 HydrophobicContact CE1-CD2 4.4Å; F805-Y809 HydrophobicContact CE2-CD2 4Å; F805-Y809 HydrophobicContact CE2-CG 4.48Å; F805-Y809 AromaticContact CZ-CD2 3.54Å; F805-Y809 HydrophobicContact CZ-CD2 3.54Å; F805-Y809 HydrophobicContact CZ-CE2 4.35Å; F805-Y809 HydrophobicContact CZ-CG 4.02Å; F805-Y809 WeakPolarHBondContact O-CB 3.49Å; F805-Y809 PolarHBondContact O-N 3.43Å; F805-V820 HydrophobicContact CD2-CG1 3.97Å; F805-V820 HydrophobicContact CE2-CG1 4.16Å; F805-E821 HydrophobicContact CE2-CB 4.33Å; F805-E821 HydrophobicContact CE2-CG 3.75Å; F805-E821 HydrophobicContact CZ-CG 3.95Å; F805-A824 HydrophobicContact CB-CB 4.31Å; F805-A824 HydrophobicContact CD2-CB 3.96Å; F805-A824 HydrophobicContact CG-CB 4.3Å
806I86.3Confident86.7Confident93 Ų9365.2 Ų65.248%0.47734%0.34SS..Hα-helixtrans-54.8-56.2-174.2-65.7164.3000113.1A808 Y809 F810I806-A808 VanDerWaalsContact C-N 3.33Å; I806-A808 PolarHBondContact O-N 3.38Å; I806-Y809 PolarHBondContact O-N 3.39Å; I806-F810 HydrophobicContact CG2-CD2 4.33Å; I806-F810 HydrophobicContact CG2-CE2 4.29Å; I806-F810 VanDerWaalsContact O-CD2 3.29Å; I806-F810 WeakPolarHBondContact O-CD2 3.44Å; I806-F810 PolarHBondContact O-N 3.28Å
807P88.3Confident86.6Confident80 Ų8063.1 Ų63.152%0.51933%0.331SS..Hα-helixtrans-67-33.8178.427-34.8000112.3I803 S804 F810 S811I803-P807 WeakPolarHBondContact O-CD 3.44Å; S804-P807 WeakPolarHBondContact O-CD 3.44Å; P807-F810 PolarHBondContact O-N 3.36Å; P807-S811 VanDerWaalsContact O-CB 3.29Å; P807-S811 WeakPolarHBondContact O-CB 3.35Å; P807-S811 PolarHBondContact O-N 2.02Å; P807-S811 PolarHBondContact O-OG 3.01Å
808A88.3Confident86.4Confident31 Ų3161.1 Ų61.126%0.25632%0.322SS..Hα-helixtrans-63.1-45178.200000111.4F805 I806 F810 S811 T812 V820F805-A808 PolarHBondContact O-N 2.77Å; I806-A808 VanDerWaalsContact C-N 3.33Å; I806-A808 PolarHBondContact O-N 3.38Å; A808-F810 PolarHBondContact O-N 3.31Å; A808-S811 WeakPolarHBondContact CA-OG 3.11Å; A808-S811 PolarHBondContact O-N 2.85Å; A808-S811 PolarHBondContact O-OG 3.03Å; A808-T812 WeakPolarHBondContact O-CB 3.07Å; A808-T812 PolarHBondContact O-N 3.37Å; A808-T812 PolarHBondContact O-OG1 3.45Å; A808-V820 HydrophobicContact CB-CG1 3.76Å
809Y86Confident86.2Confident46 Ų4661.1 Ų61.118%0.1832%0.322CS..Hα-helixtrans-56.5-46.3176.1-178-89.5000112.6F805 I806 V817 E821F805-Y809 HydrophobicContact CE1-CD2 4.4Å; F805-Y809 HydrophobicContact CE2-CD2 4Å; F805-Y809 HydrophobicContact CE2-CG 4.48Å; F805-Y809 AromaticContact CZ-CD2 3.54Å; F805-Y809 HydrophobicContact CZ-CD2 3.54Å; F805-Y809 HydrophobicContact CZ-CE2 4.35Å; F805-Y809 HydrophobicContact CZ-CG 4.02Å; F805-Y809 WeakPolarHBondContact O-CB 3.49Å; F805-Y809 PolarHBondContact O-N 3.43Å; I806-Y809 PolarHBondContact O-N 3.39Å; Y809-V817 HydrophobicContact CD2-CG1 3.91Å; Y809-V817 HydrophobicContact CE2-CG1 3.67Å; Y809-E821 HydrophobicContact CD2-CG 4.41Å
810F84.1Confident86.2Confident134 Ų13460.5 Ų60.559%0.58832%0.322SS*.Hα-helixtrans-77.7-18.2179.5-72.2-67.3000114.6I806 P807 A808I806-F810 HydrophobicContact CG2-CD2 4.33Å; I806-F810 HydrophobicContact CG2-CE2 4.29Å; I806-F810 VanDerWaalsContact O-CD2 3.29Å; I806-F810 WeakPolarHBondContact O-CD2 3.44Å; I806-F810 PolarHBondContact O-N 3.28Å; P807-F810 PolarHBondContact O-N 3.36Å; A808-F810 PolarHBondContact O-N 3.31Å
811S84.8Confident86.1Confident78 Ų7856.1 Ų56.155%0.54530%0.3SS..Hα-helixtrans-87.9-10.7178.371.20000114.4P807 A808P807-S811 VanDerWaalsContact O-CB 3.29Å; P807-S811 WeakPolarHBondContact O-CB 3.35Å; P807-S811 PolarHBondContact O-N 2.02Å; P807-S811 PolarHBondContact O-OG 3.01Å; A808-S811 WeakPolarHBondContact CA-OG 3.11Å; A808-S811 PolarHBondContact O-N 2.85Å; A808-S811 PolarHBondContact O-OG 3.03Å
812T84.4Confident86Confident34 Ų3454.9 Ų54.921%0.20929%0.292CS..  trans-110.1142.3-170.4-640000111A808 F816 V817 V820A808-T812 WeakPolarHBondContact O-CB 3.07Å; A808-T812 PolarHBondContact O-N 3.37Å; A808-T812 PolarHBondContact O-OG1 3.45Å; T812-F816 HydrophobicContact CG2-CB 3.39Å; T812-V817 HydrophobicContact CG2-CG2 4.06Å; T812-V817 VanDerWaalsContact O-CG2 3.28Å; T812-V817 WeakPolarHBondContact O-CG2 3.05Å; T812-V820 HydrophobicContact CG2-CG2 4.45Å
813Y78.1Confident86.1Confident188 Ų18857.8 Ų57.874%0.73731%0.308SS*.  trans-126.2162.3-178.2-63-86.4000111.4
814G78.2Confident86.2Confident22 Ų2252.5 Ų52.523%0.22728%0.282CS..THydrogen-bonded Turntrans60.3-145.317800000114F816 V817G814-F816 PolarHBondContact O-N 2.56Å; G814-F816 VanDerWaalsContact O-N 3.09Å; G814-V817 PolarHBondContact O-N 3.35Å
815K76.2Confident86.3Confident35 Ų3549.1 Ų49.115%0.15226%0.258CS..THydrogen-bonded Turntrans-61.5-18.6-173.466.1-178.6176.5-172.50115.5E589 L591 E595 V817E589-K815 IonicContact OE1-NZ 2.76Å; E589-K815 VanDerWaalsContact OE2-CD 3.27Å; E589-K815 WeakPolarHBondContact OE2-CD 3.5Å; E589-K815 WeakPolarHBondContact OE2-CE 3.27Å; E589-K815 IonicContact OE2-NZ 3.35Å; E589-K815 PolarHBondContact OE2-NZ 2.88Å; L591-K815 HydrophobicContact CB-CB 4.44Å; E595-K815 WeakPolarHBondContact OE1-CE 3.02Å; E595-K815 IonicContact OE1-NZ 2.66Å; E595-K815 PolarHBondContact OE1-NZ 3.24Å; E595-K815 WeakPolarHBondContact OE2-CE 3.49Å; E595-K815 IonicContact OE2-NZ 2.7Å; E595-K815 PolarHBondContact OE2-NZ 3Å; K815-V817 PolarHBondContact O-N 2.91Å
816F82.4Confident86.5Confident97 Ų9748.9 Ų48.943%0.42526%0.257SS..Hα-helixtrans-77.2-17.5-176.4-64.6-70.4000113.9T812 G814 A819 V820T812-F816 HydrophobicContact CG2-CB 3.39Å; G814-F816 PolarHBondContact O-N 2.56Å; G814-F816 VanDerWaalsContact O-N 3.09Å; F816-A819 VanDerWaalsContact O-CB 3.28Å; F816-A819 WeakPolarHBondContact O-CB 3.3Å; F816-A819 PolarHBondContact O-N 3.21Å; F816-A819 VanDerWaalsContact O-N 3.11Å; F816-V820 PolarHBondContact O-N 3.34Å; F816-V820 VanDerWaalsContact O-N 3.11Å
817V85.2Confident86.9Confident30 Ų3046.4 Ų46.418%0.18225%0.25CS..Hα-helixtrans-58.6-56.3-179178.80000111.1Y809 T812 G814 K815 A819 V820 E821Y809-V817 HydrophobicContact CD2-CG1 3.91Å; Y809-V817 HydrophobicContact CE2-CG1 3.67Å; T812-V817 HydrophobicContact CG2-CG2 4.06Å; T812-V817 VanDerWaalsContact O-CG2 3.28Å; T812-V817 WeakPolarHBondContact O-CG2 3.05Å; G814-V817 PolarHBondContact O-N 3.35Å; K815-V817 PolarHBondContact O-N 2.91Å; V817-A819 PolarHBondContact O-N 2.67Å; V817-A819 VanDerWaalsContact O-N 3.16Å; V817-V820 WeakPolarHBondContact O-CB 3.05Å; V817-V820 PolarHBondContact O-N 2.81Å; V817-V820 VanDerWaalsContact O-N 3.1Å; V817-E821 PolarHBondContact O-N 3.28Å
818S85.8Confident87.1Confident23 Ų2342.7 Ų42.716%0.16123%0.227CC..Hα-helixtrans-65.3-19.5177.3-63.40000113.8E821 V822S818-E821 WeakPolarHBondContact CA-OE2 3.24Å; S818-E821 PolarHBondContact OG-OE2 2.95Å; S818-V822 WeakPolarHBondContact O-CG2 3.44Å; S818-V822 PolarHBondContact O-N 3.06Å
819A87.3Confident87.3Confident1 Ų141.2 Ų41.21%0.00822%0.215CC..Hα-helixtrans-72.6-37.4174.800000111.7L591 F597 L601 F816 V817 I823L591-A819 HydrophobicContact CD1-CB 4.48Å; L591-A819 HydrophobicContact CD2-CB 4Å; F597-A819 HydrophobicContact CD1-CB 3.9Å; F597-A819 HydrophobicContact CE1-CB 3.64Å; L601-A819 HydrophobicContact CD1-CB 4.14Å; F816-A819 VanDerWaalsContact O-CB 3.28Å; F816-A819 WeakPolarHBondContact O-CB 3.3Å; F816-A819 PolarHBondContact O-N 3.21Å; F816-A819 VanDerWaalsContact O-N 3.11Å; V817-A819 PolarHBondContact O-N 2.67Å; V817-A819 VanDerWaalsContact O-N 3.16Å; A819-I823 WeakPolarHBondContact O-CG1 3.49Å; A819-I823 PolarHBondContact O-N 3.18Å
820V90.1Very high87.7Confident31 Ų3142 Ų4219%0.18822%0.219CC..Hα-helixtrans-65.2-39.9173.4173.20000111.4F805 A808 T812 F816 V817 I823 A824F805-V820 HydrophobicContact CD2-CG1 3.97Å; F805-V820 HydrophobicContact CE2-CG1 4.16Å; A808-V820 HydrophobicContact CB-CG1 3.76Å; T812-V820 HydrophobicContact CG2-CG2 4.45Å; F816-V820 PolarHBondContact O-N 3.34Å; F816-V820 VanDerWaalsContact O-N 3.11Å; V817-V820 WeakPolarHBondContact O-CB 3.05Å; V817-V820 PolarHBondContact O-N 2.81Å; V817-V820 VanDerWaalsContact O-N 3.1Å; V820-I823 PolarHBondContact O-N 2.64Å; V820-A824 PolarHBondContact O-N 2.66Å; V820-A824 VanDerWaalsContact O-N 3.12Å
821E89.1Confident88Confident7 Ų736.1 Ų36.13%0.03320%0.196CC..Hα-helixtrans-60-49176.1-60.3-176.8118.200112F653 Q666 F805 Y809 V817 S818 I823 A824 I825F653-E821 HydrophobicContact CD1-CB 4.32Å; F653-E821 HydrophobicContact CE1-CB 4.12Å; F653-E821 WeakPolarHBondContact CE1-OE2 3.32Å; Q666-E821 PolarHBondContact NE2-OE1 3.27Å; F805-E821 HydrophobicContact CE2-CB 4.33Å; F805-E821 HydrophobicContact CE2-CG 3.75Å; F805-E821 HydrophobicContact CZ-CG 3.95Å; Y809-E821 HydrophobicContact CD2-CG 4.41Å; V817-E821 PolarHBondContact O-N 3.28Å; S818-E821 WeakPolarHBondContact CA-OE2 3.24Å; S818-E821 PolarHBondContact OG-OE2 2.95Å; E821-I823 VanDerWaalsContact C-N 3.3Å; E821-I823 PolarHBondContact O-N 2.79Å; E821-A824 PolarHBondContact O-N 2.93Å; E821-A824 VanDerWaalsContact O-N 3.13Å; E821-I825 WeakPolarHBondContact O-CG1 3.33Å; E821-I825 PolarHBondContact O-N 2.98Å
822V92Very high88.3Confident1 Ų132.4 Ų32.41%0.00617%0.17CC..Hα-helixtrans-59.9-40.8178.21710000111.4L601 F653 S818 A824 I825 L826L601-V822 HydrophobicContact CB-CG1 4.01Å; L601-V822 HydrophobicContact CD1-CB 4.11Å; L601-V822 HydrophobicContact CD1-CG1 3.96Å; L601-V822 HydrophobicContact CD2-CG1 4.15Å; L601-V822 HydrophobicContact CG-CG1 4.26Å; F653-V822 HydrophobicContact CB-CG2 3.39Å; F653-V822 HydrophobicContact CD1-CG2 4.39Å; F653-V822 HydrophobicContact CD2-CG2 4.3Å; F653-V822 HydrophobicContact CG-CG2 3.81Å; S818-V822 WeakPolarHBondContact O-CG2 3.44Å; S818-V822 PolarHBondContact O-N 3.06Å; V822-A824 VanDerWaalsContact C-N 3.35Å; V822-A824 PolarHBondContact O-N 3.35Å; V822-I825 PolarHBondContact O-N 3.22Å; V822-L826 HydrophobicContact CG1-CD1 3.69Å; V822-L826 HydrophobicContact CG1-CG 4.1Å; V822-L826 WeakPolarHBondContact O-CB 3.35Å; V822-L826 VanDerWaalsContact O-CG 3.25Å; V822-L826 WeakPolarHBondContact O-CG 3.45Å; V822-L826 PolarHBondContact O-N 3.03Å
823I92.1Very high88.7Confident78 Ų7831.5 Ų31.540%0.416%0.164SC..Hα-helixtrans-60.3-43.8176-69.1165.6000111F597 L601 A819 V820 E821 L826 A827F597-I823 HydrophobicContact CE1-CD1 4.08Å; F597-I823 HydrophobicContact CZ-CD1 3.98Å; L601-I823 HydrophobicContact CD2-CD1 4.34Å; L601-I823 HydrophobicContact CD2-CG1 3.66Å; A819-I823 WeakPolarHBondContact O-CG1 3.49Å; A819-I823 PolarHBondContact O-N 3.18Å; V820-I823 PolarHBondContact O-N 2.64Å; E821-I823 VanDerWaalsContact C-N 3.3Å; E821-I823 PolarHBondContact O-N 2.79Å; I823-L826 PolarHBondContact O-N 2.9Å; I823-A827 VanDerWaalsContact O-CB 3.26Å; I823-A827 WeakPolarHBondContact O-CB 3.34Å; I823-A827 PolarHBondContact O-N 3.06Å
824A92.1Very high89.2Confident5 Ų525.2 Ų25.24%0.04115%0.15CC..Hα-helixtrans-64.6-42178.100000112.7V801 W802 F805 V820 E821 V822 S828V801-A824 HydrophobicContact CG1-CB 3.88Å; V801-A824 WeakPolarHBondContact CG1-O 2.94Å; W802-A824 HydrophobicContact CZ2-CB 4.39Å; F805-A824 HydrophobicContact CB-CB 4.31Å; F805-A824 HydrophobicContact CD2-CB 3.96Å; F805-A824 HydrophobicContact CG-CB 4.3Å; V820-A824 PolarHBondContact O-N 2.66Å; V820-A824 VanDerWaalsContact O-N 3.12Å; E821-A824 PolarHBondContact O-N 2.93Å; E821-A824 VanDerWaalsContact O-N 3.13Å; V822-A824 VanDerWaalsContact C-N 3.35Å; V822-A824 PolarHBondContact O-N 3.35Å; A824-S828 VanDerWaalsContact O-CB 3.31Å; A824-S828 WeakPolarHBondContact O-CB 3.32Å; A824-S828 PolarHBondContact O-N 3.35Å; A824-S828 VanDerWaalsContact O-N 3.11Å; A824-S828 PolarHBondContact O-OG 3.07Å
825I92.9Very high89.7Confident2 Ų225.2 Ų25.21%0.0115%0.147CC..Hα-helixtrans-63.4-47.8176.5-65.4167.2000111S650 F653 F669 W802 E821 V822 S829S650-I825 VanDerWaalsContact OG-CG2 3.26Å; S650-I825 WeakPolarHBondContact OG-CG2 3.44Å; F653-I825 HydrophobicContact CE2-CD1 3.86Å; F653-I825 HydrophobicContact CZ-CD1 3.86Å; F669-I825 HydrophobicContact CB-CD1 4.11Å; F669-I825 HydrophobicContact CD1-CD1 4.19Å; F669-I825 HydrophobicContact CD1-CG1 4.1Å; F669-I825 HydrophobicContact CD2-CB 4.22Å; F669-I825 HydrophobicContact CD2-CD1 4.05Å; F669-I825 HydrophobicContact CD2-CG1 3.73Å; F669-I825 HydrophobicContact CD2-CG2 3.55Å; F669-I825 HydrophobicContact CE1-CG1 4.21Å; F669-I825 HydrophobicContact CE2-CB 4.2Å; F669-I825 HydrophobicContact CE2-CG1 3.84Å; F669-I825 HydrophobicContact CE2-CG2 3.74Å; F669-I825 HydrophobicContact CG-CD1 3.81Å; F669-I825 HydrophobicContact CG-CG1 3.88Å; F669-I825 HydrophobicContact CG-CG2 4.41Å; F669-I825 HydrophobicContact CZ-CG1 4.09Å; W802-I825 HydrophobicContact CZ2-CG1 4.48Å; E821-I825 WeakPolarHBondContact O-CG1 3.33Å; E821-I825 PolarHBondContact O-N 2.98Å; V822-I825 PolarHBondContact O-N 3.22Å; I825-S829 WeakPolarHBondContact O-CB 3.42Å; I825-S829 PolarHBondContact O-N 3Å; I825-S829 PolarHBondContact O-OG 2.99Å
826L93.6Very high90.2Very high10 Ų1023.9 Ų23.95%0.05214%0.141CC..Hα-helixtrans-65.4-48.6-179.2-69.6177.3000111.6C604 A605 F647 V822 I823 S828 S829 F830C604-L826 HydrophobicContact CB-CD1 3.94Å; A605-L826 HydrophobicContact CB-CD2 3.94Å; F647-L826 HydrophobicContact CD1-CD2 3.75Å; F647-L826 HydrophobicContact CE1-CD2 4.22Å; V822-L826 HydrophobicContact CG1-CD1 3.69Å; V822-L826 HydrophobicContact CG1-CG 4.1Å; V822-L826 WeakPolarHBondContact O-CB 3.35Å; V822-L826 VanDerWaalsContact O-CG 3.25Å; V822-L826 WeakPolarHBondContact O-CG 3.45Å; V822-L826 PolarHBondContact O-N 3.03Å; I823-L826 PolarHBondContact O-N 2.9Å; L826-S828 VanDerWaalsContact C-N 3.31Å; L826-S828 PolarHBondContact O-N 3.26Å; L826-S829 PolarHBondContact O-N 3.35Å; L826-F830 HydrophobicContact CB-CD2 4.43Å; L826-F830 VanDerWaalsContact O-CD2 3.24Å; L826-F830 WeakPolarHBondContact O-CD2 3.23Å; L826-F830 PolarHBondContact O-N 3.05Å
827A93.5Very high90.4Very high41 Ų4119.3 Ų19.334%0.33912%0.121SC..Hα-helixtrans-59.5-41.317900000112.2V801 I823 G831V801-A827 HydrophobicContact CG1-CB 4.3Å; V801-A827 HydrophobicContact CG2-CB 3.97Å; I823-A827 VanDerWaalsContact O-CB 3.26Å; I823-A827 WeakPolarHBondContact O-CB 3.34Å; I823-A827 PolarHBondContact O-N 3.06Å; A827-G831 PolarHBondContact O-N 3.27Å
828S92.6Very high90.4Very high3 Ų324.9 Ų24.92%0.02114%0.143CC..Hα-helixtrans-62.4-45.6175.5-59.30000112.2W802 A824 L826 G831 Q832W802-S828 PolarHBondContact NE1-OG 2.98Å; A824-S828 VanDerWaalsContact O-CB 3.31Å; A824-S828 WeakPolarHBondContact O-CB 3.32Å; A824-S828 PolarHBondContact O-N 3.35Å; A824-S828 VanDerWaalsContact O-N 3.11Å; A824-S828 PolarHBondContact O-OG 3.07Å; L826-S828 VanDerWaalsContact C-N 3.31Å; L826-S828 PolarHBondContact O-N 3.26Å; S828-G831 PolarHBondContact O-N 3.49Å; S828-Q832 PolarHBondContact O-N 3Å; S828-Q832 VanDerWaalsContact O-N 3.09Å
829S93.3Very high90.2Very high0 Ų025.9 Ų25.90%015%0.147CC..Hα-helixtrans-70.2-42-176.9-56.70000112F647 I825 L826 Q832 L833F647-S829 VanDerWaalsContact CZ-CB 3.5Å; I825-S829 WeakPolarHBondContact O-CB 3.42Å; I825-S829 PolarHBondContact O-N 3Å; I825-S829 PolarHBondContact O-OG 2.99Å; L826-S829 PolarHBondContact O-N 3.35Å; S829-Q832 PolarHBondContact O-N 3.22Å; S829-L833 PolarHBondContact O-N 3.4Å
830F93.7Very high90Very high63 Ų6326.9 Ų26.928%0.27615%0.151SC..Hα-helixtrans-63.4-40.9172.1-80.6-62.2000112.1C604 L611 F647 L826 Q832 L833 A834C604-F830 WeakPolarHBondContact O-CZ 3.29Å; L611-F830 HydrophobicContact CD1-CE1 4.3Å; F647-F830 HydrophobicContact CE1-CD1 4.03Å; F647-F830 AromaticContact CE1-CD2 3.76Å; F647-F830 HydrophobicContact CE1-CD2 3.76Å; F647-F830 AromaticContact CE1-CE1 3.98Å; F647-F830 HydrophobicContact CE1-CE1 3.98Å; F647-F830 AromaticContact CE1-CE2 3.7Å; F647-F830 HydrophobicContact CE1-CE2 3.7Å; F647-F830 AromaticContact CE1-CG 3.92Å; F647-F830 HydrophobicContact CE1-CG 3.92Å; F647-F830 AromaticContact CE1-CZ 3.82Å; F647-F830 HydrophobicContact CE1-CZ 3.82Å; F647-F830 AromaticContact CZ-CD1 3.79Å; F647-F830 HydrophobicContact CZ-CD1 3.79Å; F647-F830 HydrophobicContact CZ-CD2 4.27Å; F647-F830 AromaticContact CZ-CE1 3.96Å; F647-F830 HydrophobicContact CZ-CE1 3.96Å; F647-F830 HydrophobicContact CZ-CE2 4.42Å; F647-F830 AromaticContact CZ-CG 3.94Å; F647-F830 HydrophobicContact CZ-CG 3.94Å; F647-F830 HydrophobicContact CZ-CZ 4.28Å; L826-F830 HydrophobicContact CB-CD2 4.43Å; L826-F830 VanDerWaalsContact O-CD2 3.24Å; L826-F830 WeakPolarHBondContact O-CD2 3.23Å; L826-F830 PolarHBondContact O-N 3.05Å; F830-Q832 VanDerWaalsContact C-N 3.3Å; F830-Q832 PolarHBondContact O-N 2.92Å; F830-L833 PolarHBondContact O-N 3.33Å; F830-A834 VanDerWaalsContact O-CB 3.24Å; F830-A834 WeakPolarHBondContact O-CB 3.39Å; F830-A834 PolarHBondContact O-N 3.41Å
831G91.4Very high89.7Confident10 Ų1026.1 Ų26.110%0.10315%0.147CC..Hα-helixtrans-60.2-36.7175.100000113.4A827 S828 C835A827-G831 PolarHBondContact O-N 3.27Å; S828-G831 PolarHBondContact O-N 3.49Å; G831-C835 WeakPolarHBondContact O-CB 3.27Å; G831-C835 PolarHBondContact O-N 2.77Å
832Q90.6Very high89.4Confident0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-70.6-50.2173.4-73.6172.9-8.200112.5L643 F673 C676 S794 S828 S829 F830 A834 I836L643-Q832 HydrophobicContact CD2-CB 3.97Å; F673-Q832 VanDerWaalsContact CE2-NE2 3.28Å; F673-Q832 VanDerWaalsContact CE2-OE1 3.31Å; C676-Q832 PolarHBondContact SG-OE1 3.04Å; S794-Q832 WeakPolarHBondContact OG-CA 3.2Å; S794-Q832 VanDerWaalsContact OG-CG 3.29Å; S794-Q832 WeakPolarHBondContact OG-CG 3.33Å; S828-Q832 PolarHBondContact O-N 3Å; S828-Q832 VanDerWaalsContact O-N 3.09Å; S829-Q832 PolarHBondContact O-N 3.22Å; F830-Q832 VanDerWaalsContact C-N 3.3Å; F830-Q832 PolarHBondContact O-N 2.92Å; Q832-A834 PolarHBondContact O-N 2.95Å; Q832-I836 HydrophobicContact CB-CD1 4.44Å; Q832-I836 VanDerWaalsContact O-CB 3.32Å; Q832-I836 WeakPolarHBondContact O-CB 3.45Å; Q832-I836 WeakPolarHBondContact O-CG1 3.49Å; Q832-I836 PolarHBondContact O-N 2.62Å
833L91.7Very high88.7Confident15 Ų1531.6 Ų31.68%0.07917%0.169CC..Hα-helixtrans-57.7-50.6179.2-177.766.4000111.6L611 T612 V615 L640 L643 F647 S829 F830 F837L611-L833 HydrophobicContact CB-CD2 4.06Å; T612-L833 HydrophobicContact CG2-CD1 4.19Å; V615-L833 HydrophobicContact CG2-CD1 4.29Å; L640-L833 HydrophobicContact CD2-CD1 4.37Å; L643-L833 HydrophobicContact CD1-CD1 4.49Å; F647-L833 HydrophobicContact CE2-CD2 4.29Å; S829-L833 PolarHBondContact O-N 3.4Å; F830-L833 PolarHBondContact O-N 3.33Å; L833-F837 HydrophobicContact CD1-CD2 4.36Å; L833-F837 PolarHBondContact O-N 2.82Å; L833-F837 VanDerWaalsContact O-N 3.11Å
834A89.5Confident88.2Confident55 Ų5528.1 Ų28.146%0.45515%0.151SC..Hα-helixtrans-64-52.8-177.300000111.9F830 Q832 F838F830-A834 VanDerWaalsContact O-CB 3.24Å; F830-A834 WeakPolarHBondContact O-CB 3.39Å; F830-A834 PolarHBondContact O-N 3.41Å; Q832-A834 PolarHBondContact O-N 2.95Å; A834-F838 WeakPolarHBondContact O-CB 3.44Å; A834-F838 PolarHBondContact O-N 3.43Å
835C88.1Confident87.7Confident23 Ų2331 Ų3116%0.15517%0.165CC..Hα-helixtrans-65.5-43.1-178.1-770000113F790 G831F790-C835 HydrophobicContact CB-CB 4.3Å; F790-C835 VanDerWaalsContact CB-O 3.28Å; F790-C835 WeakPolarHBondContact CB-O 3.39Å; F790-C835 WeakPolarHBondContact O-CB 3.37Å; G831-C835 WeakPolarHBondContact O-CB 3.27Å; G831-C835 PolarHBondContact O-N 2.77Å
836I87Confident87.1Confident7 Ų738 Ų384%0.03620%0.196CC..Hα-helixtrans-81.7-37.9-169.3-60.5171.4000112L639 I680 I791 Q832L639-I836 HydrophobicContact CD2-CG2 4.31Å; I680-I836 HydrophobicContact CD1-CD1 3.51Å; I680-I836 HydrophobicContact CG1-CD1 4.03Å; I791-I836 HydrophobicContact CG1-CG1 4.23Å; Q832-I836 HydrophobicContact CB-CD1 4.44Å; Q832-I836 VanDerWaalsContact O-CB 3.32Å; Q832-I836 WeakPolarHBondContact O-CB 3.45Å; Q832-I836 WeakPolarHBondContact O-CG1 3.49Å; Q832-I836 PolarHBondContact O-N 2.62Å
837F87.6Confident86.1Confident1 Ų142.1 Ų42.10%0.00421%0.214CC..Hα-helixtrans-110.5-29.5-168.5-66.6-82.6000115.4V615 F619 L639 L640 L643 L833 N839 K840 V841V615-F837 HydrophobicContact CG1-CB 3.85Å; V615-F837 HydrophobicContact CG1-CD1 3.91Å; V615-F837 HydrophobicContact CG1-CG 3.97Å; F619-F837 HydrophobicContact CE1-CD1 4.27Å; F619-F837 HydrophobicContact CE1-CE1 4.13Å; F619-F837 AromaticContact CE2-CD1 3.93Å; F619-F837 HydrophobicContact CE2-CD1 3.93Å; F619-F837 AromaticContact CZ-CD1 3.69Å; F619-F837 HydrophobicContact CZ-CD1 3.69Å; F619-F837 HydrophobicContact CZ-CE1 4.03Å; L639-F837 HydrophobicContact CB-CZ 4.47Å; L639-F837 HydrophobicContact CD2-CE2 3.97Å; L639-F837 HydrophobicContact CD2-CZ 3.72Å; L639-F837 HydrophobicContact CG-CE2 4.07Å; L639-F837 HydrophobicContact CG-CZ 3.94Å; L640-F837 HydrophobicContact CD1-CD1 4.28Å; L640-F837 HydrophobicContact CD1-CE1 3.75Å; L640-F837 HydrophobicContact CD1-CZ 4.1Å; L640-F837 HydrophobicContact CD2-CD1 4.06Å; L640-F837 HydrophobicContact CD2-CD2 3.86Å; L640-F837 HydrophobicContact CD2-CE1 3.83Å; L640-F837 HydrophobicContact CD2-CE2 3.62Å; L640-F837 HydrophobicContact CD2-CG 4.07Å; L640-F837 HydrophobicContact CD2-CZ 3.6Å; L640-F837 HydrophobicContact CG-CD1 4.39Å; L640-F837 HydrophobicContact CG-CE1 3.73Å; L640-F837 HydrophobicContact CG-CE2 4.06Å; L640-F837 HydrophobicContact CG-CZ 3.53Å; L643-F837 HydrophobicContact CD1-CE2 4.05Å; L833-F837 HydrophobicContact CD1-CD2 4.36Å; L833-F837 PolarHBondContact O-N 2.82Å; L833-F837 VanDerWaalsContact O-N 3.11Å; F837-N839 PolarHBondContact O-N 2.8Å; F837-K840 WeakPolarHBondContact O-CA 3.44Å; F837-K840 PolarHBondContact O-N 2.77Å; F837-V841 PolarHBondContact O-N 3.49Å
838F84.9Confident84.9Confident147 Ų14744.2 Ų44.265%0.64522%0.224SC*.Hα-helixtrans-52.4-53.3-174.1179.9-99.6000112.9A834 K840 V841 Y842A834-F838 WeakPolarHBondContact O-CB 3.44Å; A834-F838 PolarHBondContact O-N 3.43Å; F838-K840 PolarHBondContact O-N 3Å; F838-V841 PolarHBondContact O-N 3.31Å; F838-Y842 VanDerWaalsContact O-CB 3.29Å; F838-Y842 WeakPolarHBondContact O-CB 3.23Å; F838-Y842 PolarHBondContact O-N 3.06Å
839N81.3Confident83.4Confident44 Ų4448.3 Ų48.324%0.23525%0.253CS..Hα-helixtrans-61.1-30.7179.3-176.746.9000112.6F790 F837 I843F790-N839 HydrophobicContact CE2-CB 4.13Å; F837-N839 PolarHBondContact O-N 2.8Å; N839-I843 WeakPolarHBondContact O-CD1 3.49Å; N839-I843 VanDerWaalsContact O-CG1 3.27Å; N839-I843 WeakPolarHBondContact O-CG1 3.43Å; N839-I843 PolarHBondContact O-N 3.04Å; N839-I843 VanDerWaalsContact O-N 3.17Å
840K82.6Confident81.8Confident22 Ų2253.4 Ų53.410%0.09627%0.272CS..Hα-helixtrans-76.9-44.1-179.7-63.8-166.4168-168.50111.6F619 T631 E787 F837 F838 Y842 I843 I844F619-K840 HydrophobicContact CE2-CB 4.49Å; F619-K840 HydrophobicContact CZ-CB 4.1Å; F619-K840 HydrophobicContact CZ-CD 4.45Å; T631-K840 HydrophobicContact CG2-CD 4.33Å; T631-K840 PolarHBondContact OG1-NZ 2.93Å; E787-K840 IonicContact OE1-NZ 2.85Å; E787-K840 PolarHBondContact OE1-NZ 3.44Å; E787-K840 IonicContact OE2-NZ 3.35Å; E787-K840 PolarHBondContact OE2-NZ 3.4Å; F837-K840 WeakPolarHBondContact O-CA 3.44Å; F837-K840 PolarHBondContact O-N 2.77Å; F838-K840 PolarHBondContact O-N 3Å; K840-Y842 VanDerWaalsContact C-N 3.34Å; K840-I843 PolarHBondContact O-N 2.7Å; K840-I844 WeakPolarHBondContact O-CB 3.39Å; K840-I844 WeakPolarHBondContact O-CD1 3.41Å; K840-I844 VanDerWaalsContact O-CG1 3.23Å; K840-I844 WeakPolarHBondContact O-CG1 3.36Å; K840-I844 PolarHBondContact O-N 3.05Å
841V84.8Confident80.2Confident15 Ų1551.7 Ų51.79%0.09127%0.265CS..Hα-helixtrans-64-41.1173.3177.20000110.9F614 V615 F619 F837 F838 I843 I844 L845F614-V841 HydrophobicContact CE1-CG1 4.46Å; V615-V841 HydrophobicContact CB-CG2 4.49Å; V615-V841 HydrophobicContact CG1-CG2 3.94Å; V615-V841 HydrophobicContact CG2-CG2 4.14Å; F619-V841 HydrophobicContact CE2-CG2 4.02Å; F837-V841 PolarHBondContact O-N 3.49Å; F838-V841 PolarHBondContact O-N 3.31Å; V841-I843 PolarHBondContact O-N 3.24Å; V841-I844 PolarHBondContact O-N 2.97Å; V841-L845 HydrophobicContact CG1-CD1 3.64Å; V841-L845 HydrophobicContact CG1-CG 4.18Å; V841-L845 PolarHBondContact O-N 2.97Å
842Y83Confident78.9Confident97 Ų9753.8 Ų53.838%0.3828%0.276SS..Hα-helixtrans-57.9-45.9176.1179.2-103.8000112.6F838 K840 F846F838-Y842 VanDerWaalsContact O-CB 3.29Å; F838-Y842 WeakPolarHBondContact O-CB 3.23Å; F838-Y842 PolarHBondContact O-N 3.06Å; K840-Y842 VanDerWaalsContact C-N 3.34Å; Y842-F846 HydrophobicContact CD2-CB 4.16Å; Y842-F846 AromaticContact CD2-CD2 3.82Å; Y842-F846 HydrophobicContact CD2-CD2 3.82Å; Y842-F846 HydrophobicContact CD2-CG 4.27Å; Y842-F846 HydrophobicContact CE2-CB 3.98Å; Y842-F846 HydrophobicContact CE2-CD2 4.26Å; Y842-F846 HydrophobicContact CE2-CG 4.27Å; Y842-F846 WeakPolarHBondContact O-CA 3.45Å; Y842-F846 WeakPolarHBondContact O-CB 3.34Å; Y842-F846 PolarHBondContact O-N 2.94Å
843I76.9Confident77.3Confident25 Ų2558.6 Ų58.613%0.12830%0.301CS..Hα-helixtrans-67.9-42.8177-63.1163.3000111.3I627 N839 K840 V841 L845 K847 R850I627-I843 HydrophobicContact CD1-CB 4.28Å; I627-I843 HydrophobicContact CD1-CG2 3.45Å; I627-I843 VanDerWaalsContact CD1-CG2 3.45Å; N839-I843 WeakPolarHBondContact O-CD1 3.49Å; N839-I843 VanDerWaalsContact O-CG1 3.27Å; N839-I843 WeakPolarHBondContact O-CG1 3.43Å; N839-I843 PolarHBondContact O-N 3.04Å; N839-I843 VanDerWaalsContact O-N 3.17Å; K840-I843 PolarHBondContact O-N 2.7Å; V841-I843 PolarHBondContact O-N 3.24Å; I843-L845 PolarHBondContact O-N 3.42Å; I843-K847 CarbonylContact O-C 3.57Å; I843-K847 PolarHBondContact O-N 2.77Å; I843-K847 VanDerWaalsContact O-N 3.16Å; I843-R850 HydrophobicContact CG2-CB 4.21Å
844I80.8Confident75.6Confident6 Ų665.1 Ų65.13%0.03133%0.331CS..Hα-helixtrans-62-41.2-178.9-71.2166.3000112V618 F619 F622 I627 V628 K840 V841V618-I844 HydrophobicContact CG1-CG2 3.96Å; F619-I844 HydrophobicContact CE2-CD1 4.44Å; F622-I844 HydrophobicContact CB-CG2 4.12Å; F622-I844 HydrophobicContact CD1-CG2 4.34Å; F622-I844 HydrophobicContact CD2-CG2 3.78Å; F622-I844 HydrophobicContact CE2-CG2 4.26Å; F622-I844 HydrophobicContact CG-CG2 3.82Å; I627-I844 HydrophobicContact CG2-CD1 4.37Å; I627-I844 HydrophobicContact CG2-CG1 4.46Å; V628-I844 HydrophobicContact CG2-CD1 3.77Å; K840-I844 WeakPolarHBondContact O-CB 3.39Å; K840-I844 WeakPolarHBondContact O-CD1 3.41Å; K840-I844 VanDerWaalsContact O-CG1 3.23Å; K840-I844 WeakPolarHBondContact O-CG1 3.36Å; K840-I844 PolarHBondContact O-N 3.05Å; V841-I844 PolarHBondContact O-N 2.97Å
845L81.1Confident74.1Confident64 Ų6465.8 Ų65.834%0.33533%0.325SS..Hα-helixtrans-91.1-44.9-176.4-61.6-179.8000113.4F614 V618 F622 V841 I843F614-L845 HydrophobicContact CE1-CD1 4.46Å; F614-L845 HydrophobicContact CZ-CD1 4.18Å; V618-L845 HydrophobicContact CG1-CD2 4.42Å; V618-L845 HydrophobicContact CG2-CD1 4.45Å; F622-L845 HydrophobicContact CE2-CD2 4.04Å; V841-L845 HydrophobicContact CG1-CD1 3.64Å; V841-L845 HydrophobicContact CG1-CG 4.18Å; V841-L845 PolarHBondContact O-N 2.97Å; I843-L845 PolarHBondContact O-N 3.42Å
846F80.1Confident72.6Confident150 Ų15066.3 Ų66.366%0.65833%0.327SS*.Hα-helixtrans-105.7-12.1-168.6-61.9-83000114.9Y842Y842-F846 HydrophobicContact CD2-CB 4.16Å; Y842-F846 AromaticContact CD2-CD2 3.82Å; Y842-F846 HydrophobicContact CD2-CD2 3.82Å; Y842-F846 HydrophobicContact CD2-CG 4.27Å; Y842-F846 HydrophobicContact CE2-CB 3.98Å; Y842-F846 HydrophobicContact CE2-CD2 4.26Å; Y842-F846 HydrophobicContact CE2-CG 4.27Å; Y842-F846 WeakPolarHBondContact O-CA 3.45Å; Y842-F846 WeakPolarHBondContact O-CB 3.34Å; Y842-F846 PolarHBondContact O-N 2.94Å
847K73.4Confident71Confident97 Ų9774.9 Ų74.942%0.42236%0.359SS..  trans-133.864.4172.5-64.5-162.3176.2-165.70113.9I843 S849 R850I843-K847 CarbonylContact O-C 3.57Å; I843-K847 PolarHBondContact O-N 2.77Å; I843-K847 VanDerWaalsContact O-N 3.16Å; K847-S849 PolarHBondContact O-N 3.39Å; K847-S849 VanDerWaalsContact O-N 3.1Å; K847-R850 HydrophobicContact CB-CG 4.4Å; K847-R850 PolarHBondContact O-N 3.09Å; K847-R850 VanDerWaalsContact O-N 3.11Å
848P69.1Low69.1Low85 Ų8579 Ų7955%0.55239%0.387SS*.G310 helixtrans-55.8-28.6179.8-25.635.2000115R850 N851P848-R850 PolarHBondContact O-N 2.72Å; P848-N851 VanDerWaalsContact O-CB 3.24Å; P848-N851 WeakPolarHBondContact O-CB 3.39Å; P848-N851 PolarHBondContact O-N 3.04Å
849S60.1Low67.5Low89 Ų8974.5 Ų74.562%0.62237%0.374SS*.G310 helixtrans-57.2-29.2177.849.40000113.7K847 N851K847-S849 PolarHBondContact O-N 3.39Å; K847-S849 VanDerWaalsContact O-N 3.1Å; S849-N851 VanDerWaalsContact C-N 3.29Å; S849-N851 PolarHBondContact O-N 2.72Å
850R60.4Low66Low107 Ų10774.3 Ų74.340%0.40437%0.374SS..G310 helixtrans-89.79.9179.3-46.7-164.477.21779113.6I843 K847 P848 E855I843-R850 HydrophobicContact CG2-CB 4.21Å; K847-R850 HydrophobicContact CB-CG 4.4Å; K847-R850 PolarHBondContact O-N 3.09Å; K847-R850 VanDerWaalsContact O-N 3.11Å; P848-R850 PolarHBondContact O-N 2.72Å; R850-E855 IonicContact CZ-OE1 3.4Å; R850-E855 IonicContact NE-OE1 3.46Å; R850-E855 PolarHBondContact NE-OE1 2.95Å; R850-E855 IonicContact NH2-OE1 3.62Å; R850-E855 PolarHBondContact NH2-OE1 3.25Å
851N60Low64.5Low26 Ų2675.6 Ų75.614%0.13939%0.389CS..  trans-107.927.9-176.7-158.17000111.7T625 P626 I627 P848 S849T625-N851 WeakPolarHBondContact CG2-ND2 3.42Å; P626-N851 WeakPolarHBondContact CD-O 3.41Å; P626-N851 WeakPolarHBondContact CD-OD1 3.12Å; P626-N851 WeakPolarHBondContact CG-O 3.32Å; P626-N851 WeakPolarHBondContact CG-OD1 3.48Å; I627-N851 HydrophobicContact CD1-CB 4.09Å; I627-N851 WeakPolarHBondContact CD1-OD1 3.33Å; I627-N851 WeakPolarHBondContact CG1-OD1 3.43Å; P848-N851 VanDerWaalsContact O-CB 3.24Å; P848-N851 WeakPolarHBondContact O-CB 3.39Å; P848-N851 PolarHBondContact O-N 3.04Å; S849-N851 VanDerWaalsContact C-N 3.29Å; S849-N851 PolarHBondContact O-N 2.72Å
852T63.9Low62.8Low54 Ų5477.8 Ų77.833%0.33141%0.409SS..SBendtrans-95.3159.1179.259.30000111.8E854 E855 V856T852-E854 VanDerWaalsContact C-N 3.35Å; T852-E855 PolarHBondContact OG1-N 2.75Å; T852-V856 WeakPolarHBondContact O-CG2 3.18Å
853I57.4Low61.3Low102 Ų10276.6 Ų76.652%0.52341%0.407SS..Hα-helixtrans-73.4-31.2177.4-64.1175000110.9P626 R857P626-I853 HydrophobicContact CB-CG1 4.44Å; I853-R857 WeakPolarHBondContact O-CB 3.39Å; I853-R857 WeakPolarHBondContact O-CG 3.34Å; I853-R857 PolarHBondContact O-N 2.9Å
854E55.1Low60.2Low152 Ų15278.3 Ų78.371%0.7142%0.424SS*.Hα-helixtrans-69.9-49.5-179.5-71.6114.6-135.500113.5T852 V856 R857 C858T852-E854 VanDerWaalsContact C-N 3.35Å; E854-V856 VanDerWaalsContact C-N 3.3Å; E854-V856 PolarHBondContact O-N 2.91Å; E854-R857 PolarHBondContact O-N 2.95Å; E854-C858 VanDerWaalsContact O-CB 3.23Å; E854-C858 WeakPolarHBondContact O-CB 3.48Å; E854-C858 PolarHBondContact O-N 2.63Å
855E57.5Low58.9Low69 Ų6985.7 Ų85.732%0.32246%0.456SS..Hα-helixtrans-63-39.4-178.2-166.1-178.8152.900110.9R850 T852 R857 C858 S859R850-E855 IonicContact CZ-OE1 3.4Å; R850-E855 IonicContact NE-OE1 3.46Å; R850-E855 PolarHBondContact NE-OE1 2.95Å; R850-E855 IonicContact NH2-OE1 3.62Å; R850-E855 PolarHBondContact NH2-OE1 3.25Å; T852-E855 PolarHBondContact OG1-N 2.75Å; E855-R857 PolarHBondContact O-N 3.23Å; E855-C858 PolarHBondContact O-N 3.27Å; E855-S859 WeakPolarHBondContact O-CB 3.08Å; E855-S859 PolarHBondContact O-N 2.63Å
856V56.9Low57.6Low33 Ų3390 Ų9020%0.247%0.472CS..Hα-helixtrans-63.8-39.7176.6176.70000112T852 E854 T860T852-V856 WeakPolarHBondContact O-CG2 3.18Å; E854-V856 VanDerWaalsContact C-N 3.3Å; E854-V856 PolarHBondContact O-N 2.91Å; V856-T860 PolarHBondContact O-OG1 3.14Å
857R53.2Low56.5Low187 Ų18786.5 Ų86.571%0.70646%0.463SS*.Hα-helixtrans-77.7-37.1177.1-79.9179.7161.9174.7-7113.5I853 E854 E855 S859 T860 A861I853-R857 WeakPolarHBondContact O-CB 3.39Å; I853-R857 WeakPolarHBondContact O-CG 3.34Å; I853-R857 PolarHBondContact O-N 2.9Å; E854-R857 PolarHBondContact O-N 2.95Å; E855-R857 PolarHBondContact O-N 3.23Å; R857-S859 VanDerWaalsContact C-N 3.34Å; R857-T860 WeakPolarHBondContact O-CB 3.49Å; R857-T860 PolarHBondContact O-N 2.86Å; R857-A861 PolarHBondContact O-N 3.4Å; R857-A861 VanDerWaalsContact O-N 3.11Å
858C48.7Very low55.7Low87 Ų8784.5 Ų84.559%0.58847%0.465SS*.Hα-helixtrans-66.7-37.7-179.6-166.30000111.1E854 E855 A861 A862E854-C858 VanDerWaalsContact O-CB 3.23Å; E854-C858 WeakPolarHBondContact O-CB 3.48Å; E854-C858 PolarHBondContact O-N 2.63Å; E855-C858 PolarHBondContact O-N 3.27Å; C858-A861 PolarHBondContact O-N 3.34Å; C858-A862 WeakPolarHBondContact O-CB 3.05Å; C858-A862 PolarHBondContact O-N 2.8Å
859S50.9Low55Low53 Ų5382.9 Ų82.937%0.37146%0.459SS..Hα-helixtrans-60.2-47.2174.1-160.20000112.6E855 R857 H863E855-S859 WeakPolarHBondContact O-CB 3.08Å; E855-S859 PolarHBondContact O-N 2.63Å; R857-S859 VanDerWaalsContact C-N 3.34Å; S859-H863 PolarHBondContact O-N 2.75Å
860T51Low54.7Low40 Ų4086.5 Ų86.525%0.24546%0.463CS..Hα-helixtrans-54.3-52.6173.1-69.40000111.6E783 N784 V856 R857 H863 A864E783-T860 VanDerWaalsContact CD-CG2 3.41Å; E783-T860 HydrophobicContact CG-CG2 4.21Å; E783-T860 WeakPolarHBondContact CG-OG1 3.34Å; E783-T860 WeakPolarHBondContact OE1-CG2 3.43Å; E783-T860 WeakPolarHBondContact OE2-CG2 3.18Å; E783-T860 PolarHBondContact OE2-OG1 2.03Å; N784-T860 PolarHBondContact ND2-OG1 3.32Å; V856-T860 PolarHBondContact O-OG1 3.14Å; R857-T860 WeakPolarHBondContact O-CB 3.49Å; R857-T860 PolarHBondContact O-N 2.86Å; T860-H863 PolarHBondContact O-N 2.72Å; T860-A864 PolarHBondContact O-N 2.8Å; T860-A864 VanDerWaalsContact O-N 3.14Å
861A50.4Low54.4Low50 Ų5084.1 Ų84.141%0.41347%0.467SS..Hα-helixtrans-63-46-177.600000112.7R857 C858 H863 A864 F865R857-A861 PolarHBondContact O-N 3.4Å; R857-A861 VanDerWaalsContact O-N 3.11Å; C858-A861 PolarHBondContact O-N 3.34Å; A861-H863 VanDerWaalsContact C-N 3.25Å; A861-H863 PolarHBondContact O-N 2.8Å; A861-A864 PolarHBondContact O-N 3.01Å; A861-F865 WeakPolarHBondContact O-CD2 3.3Å; A861-F865 PolarHBondContact O-N 2.89Å
862A49.7Very low54.2Low61 Ų6187.7 Ų87.750%0.50449%0.489SS..Hα-helixtrans-61-33.5-179.600000112.6C858 K866C858-A862 WeakPolarHBondContact O-CB 3.05Å; C858-A862 PolarHBondContact O-N 2.8Å; A862-K866 PolarHBondContact O-N 2.83Å
863H51.9Low53.8Low72 Ų7290.6 Ų90.633%0.33350%0.502SS..Hα-helixtrans-79.3-33.3176.9-155.4-68.5000113.3P782 S859 T860 A861 F865 K866 V867P782-H863 WeakPolarHBondContact CB-CE1 3.48Å; P782-H863 WeakPolarHBondContact CB-ND1 3.48Å; P782-H863 WeakPolarHBondContact CG-CE1 3.16Å; P782-H863 VanDerWaalsContact CG-ND1 3.33Å; P782-H863 WeakPolarHBondContact CG-ND1 3.33Å; S859-H863 PolarHBondContact O-N 2.75Å; T860-H863 PolarHBondContact O-N 2.72Å; A861-H863 VanDerWaalsContact C-N 3.25Å; A861-H863 PolarHBondContact O-N 2.8Å; H863-F865 PolarHBondContact O-N 3.13Å; H863-K866 PolarHBondContact O-N 3.34Å; H863-K866 VanDerWaalsContact O-N 3.09Å; H863-V867 VanDerWaalsContact CE1-CG2 3.48Å; H863-V867 WeakPolarHBondContact CE1-CG2 3.5Å; H863-V867 WeakPolarHBondContact ND1-CG2 3.47Å; H863-V867 PolarHBondContact O-N 3.24Å
864A53.2Low53.3Low60 Ų6093 Ų9350%0.49651%0.509SS..Hα-helixtrans-57.8-47.5174.200000111.6T860 A861 K866 V867 A868T860-A864 PolarHBondContact O-N 2.8Å; T860-A864 VanDerWaalsContact O-N 3.14Å; A861-A864 PolarHBondContact O-N 3.01Å; A864-K866 VanDerWaalsContact C-N 3.32Å; A864-K866 PolarHBondContact O-N 2.95Å; A864-V867 PolarHBondContact O-N 3.32Å; A864-A868 PolarHBondContact O-N 3.02Å
865F53.9Low53.2Low162 Ų16293.3 Ų93.371%0.71151%0.51SS*.Hα-helixtrans-58.6-40.7172.1-84.6-77.4000112.7A861 H863 V867 A868 A869A861-F865 WeakPolarHBondContact O-CD2 3.3Å; A861-F865 PolarHBondContact O-N 2.89Å; H863-F865 PolarHBondContact O-N 3.13Å; F865-V867 VanDerWaalsContact C-N 3.32Å; F865-V867 PolarHBondContact O-N 3.17Å; F865-A868 PolarHBondContact O-N 3.31Å; F865-A869 WeakPolarHBondContact O-CB 3.27Å; F865-A869 PolarHBondContact O-N 3.27Å
866K53.4Low52.9Low153 Ų15393.5 Ų93.567%0.66552%0.519SS*.Hα-helixtrans-68.9-27.5-179.1-149.9167.4-167.5168.90113.2A862 H863 A864 K870A862-K866 PolarHBondContact O-N 2.83Å; H863-K866 PolarHBondContact O-N 3.34Å; H863-K866 VanDerWaalsContact O-N 3.09Å; A864-K866 VanDerWaalsContact C-N 3.32Å; A864-K866 PolarHBondContact O-N 2.95Å; K866-K870 WeakPolarHBondContact O-CB 3.17Å
867V57.3Low52.6Low78 Ų7896.2 Ų96.247%0.47354%0.536SS..Hα-helixtrans-77.4-46.3171.5173.50000110.8P782 H863 A864 F865 A869 K870 A871P782-V867 HydrophobicContact CG-CG2 4.39Å; H863-V867 VanDerWaalsContact CE1-CG2 3.48Å; H863-V867 WeakPolarHBondContact CE1-CG2 3.5Å; H863-V867 WeakPolarHBondContact ND1-CG2 3.47Å; H863-V867 PolarHBondContact O-N 3.24Å; A864-V867 PolarHBondContact O-N 3.32Å; F865-V867 VanDerWaalsContact C-N 3.32Å; F865-V867 PolarHBondContact O-N 3.17Å; V867-A869 PolarHBondContact O-N 3.22Å; V867-K870 PolarHBondContact O-N 2.8Å; V867-K870 VanDerWaalsContact O-N 3.11Å; V867-A871 PolarHBondContact O-N 3.11Å
868A55.3Low52.5Low54 Ų5493.8 Ų93.845%0.44654%0.536SS..Hα-helixtrans-55.7-51.6177.600000111.6A864 F865 K870 A871 T872A864-A868 PolarHBondContact O-N 3.02Å; F865-A868 PolarHBondContact O-N 3.31Å; A868-K870 PolarHBondContact O-N 3.4Å; A868-A871 WeakPolarHBondContact O-CB 3.48Å; A868-A871 PolarHBondContact O-N 3.11Å; A868-T872 PolarHBondContact O-N 2.81Å; A868-T872 VanDerWaalsContact O-N 3.08Å; A868-T872 PolarHBondContact O-OG1 3.45Å; A868-T872 VanDerWaalsContact O-OG1 3.08Å
869A54Low52.5Low52 Ų5294.6 Ų94.643%0.4354%0.543SS..Hα-helixtrans-56.9-35.9177.200000113.1F865 V867 T872 L873F865-A869 WeakPolarHBondContact O-CB 3.27Å; F865-A869 PolarHBondContact O-N 3.27Å; V867-A869 PolarHBondContact O-N 3.22Å; A869-T872 PolarHBondContact O-N 3.21Å; A869-L873 WeakPolarHBondContact O-CB 3.36Å; A869-L873 PolarHBondContact O-N 3.31Å; A869-L873 VanDerWaalsContact O-N 3.1Å
870K54Low52.2Low164 Ų164102.9 Ų102.971%0.71357%0.566SS**Hα-helixtrans-76.2-21.9179.3-143.5173.3-169.3178.40113.2K866 V867 A868K866-K870 WeakPolarHBondContact O-CB 3.17Å; V867-K870 PolarHBondContact O-N 2.8Å; V867-K870 VanDerWaalsContact O-N 3.11Å; A868-K870 PolarHBondContact O-N 3.4Å
871A55Low52Low58 Ų58110.1 Ų110.148%0.47959%0.594SS.*Hα-helixtrans-75.4-47.1169.200000111V867 A868 L873 K874 H875V867-A871 PolarHBondContact O-N 3.11Å; A868-A871 WeakPolarHBondContact O-CB 3.48Å; A868-A871 PolarHBondContact O-N 3.11Å; A871-L873 PolarHBondContact O-N 3.42Å; A871-K874 WeakPolarHBondContact O-CB 3.49Å; A871-K874 PolarHBondContact O-N 3.24Å; A871-H875 PolarHBondContact O-N 3.44Å
872T56.6Low51.7Low100 Ų100117.4 Ų117.461%0.61362%0.616SS**Hα-helixtrans-60.2-42.6179.3-37.70000112.1A868 A869 K874 H875 S876A868-T872 PolarHBondContact O-N 2.81Å; A868-T872 VanDerWaalsContact O-N 3.08Å; A868-T872 PolarHBondContact O-OG1 3.45Å; A868-T872 VanDerWaalsContact O-OG1 3.08Å; A869-T872 PolarHBondContact O-N 3.21Å; T872-K874 PolarHBondContact O-N 3.24Å; T872-H875 PolarHBondContact O-N 3.35Å; T872-H875 VanDerWaalsContact O-N 3.13Å; T872-S876 PolarHBondContact O-N 3.32Å
873L53.5Low51.4Low115 Ų115120.2 Ų120.260%0.60263%0.632SS**Hα-helixtrans-63.8-22.4175.4-92.4159.1000114.5A869 A871 S876 T877A869-L873 WeakPolarHBondContact O-CB 3.36Å; A869-L873 PolarHBondContact O-N 3.31Å; A869-L873 VanDerWaalsContact O-N 3.1Å; A871-L873 PolarHBondContact O-N 3.42Å; L873-S876 PolarHBondContact O-OG 3.49Å; L873-T877 PolarHBondContact O-OG1 3.14Å
874K47.9Very low50.6Low152 Ų152120.7 Ų120.766%0.66166%0.656SS**Hα-helixtrans-79-29.3173.5-106.7-170.1172.6-168.30112.8A871 T872 T877A871-K874 WeakPolarHBondContact O-CB 3.49Å; A871-K874 PolarHBondContact O-N 3.24Å; T872-K874 PolarHBondContact O-N 3.24Å; K874-T877 PolarHBondContact O-OG1 3.35Å
875H53.3Low49.6Very low160 Ų160123.4 Ų123.474%0.74167%0.672SS**Hα-helixtrans-73.1-40.8177.7-113.4-91.4000112.2A871 T872 T877 L878A871-H875 PolarHBondContact O-N 3.44Å; T872-H875 PolarHBondContact O-N 3.35Å; T872-H875 VanDerWaalsContact O-N 3.13Å; H875-T877 PolarHBondContact O-N 3.27Å; H875-L878 PolarHBondContact O-N 3.29Å
876S51Low48.8Very low72 Ų72124 Ų12450%0.50368%0.681SS.*Hα-helixtrans-68.3-31.418057.50000113.7T872 L873T872-S876 PolarHBondContact O-N 3.32Å; L873-S876 PolarHBondContact O-OG 3.49Å
877T51Low47.8Very low91 Ų91120.7 Ų120.756%0.55869%0.69SS**Hα-helixtrans-78.6-24.4179.538.20000114.1L873 K874 H875L873-T877 PolarHBondContact O-OG1 3.14Å; K874-T877 PolarHBondContact O-OG1 3.35Å; H875-T877 PolarHBondContact O-N 3.27Å
878L51Low46.5Very low135 Ų135120.5 Ų120.571%0.70770%0.703SS**Hα-helixtrans-75.8-34.3175.9-102.9147.4000113.1H875 R880H875-L878 PolarHBondContact O-N 3.29Å; L878-R880 PolarHBondContact O-N 3.13Å
879S47.2Very low45.4Very low104 Ų104123.4 Ų123.473%0.72772%0.721SS**Hα-helixtrans-68.8-31.5-179.9-164.80000113.3K881S879-K881 VanDerWaalsContact C-N 3.34Å; S879-K881 PolarHBondContact O-N 3.35Å
880R46.6Very low44.2Very low227 Ų227126.6 Ų126.686%0.85774%0.74SS**THydrogen-bonded Turntrans-82.5-4.4-176.2-160.8168-178.8167.91.1114.5L878L878-R880 PolarHBondContact O-N 3.13Å
881K45.6Very low43.1Very low192 Ų192122.9 Ų122.984%0.83574%0.74SS**THydrogen-bonded Turntrans-106.413.9-173.2-135.5-178.4-174.8-173.80114.9S879S879-K881 VanDerWaalsContact C-N 3.34Å; S879-K881 PolarHBondContact O-N 3.35Å
882K43.8Very low41.9Very low203 Ų203125.8 Ų125.888%0.88376%0.756SS**SBendtrans-11113.2-178-143.4-174.3-176.7-172.60114.4
883S43.5Very low40.8Very low120 Ų120127.4 Ų127.484%0.83977%0.766SS**SBendtrans-137.3129.4173.9-178.60000108.7
884G35.9Very low40.7Very low82 Ų82127.3 Ų127.385%0.84577%0.772SS**  trans117.873.9-17400000113.7
885S31.9Very low39.7Very low118 Ų118126.1 Ų126.183%0.82578%0.783SS**  trans-150.5108.3168.7-1790000109.3
886I36.6Very low38.6Very low175 Ų175123.5 Ų123.590%0.89778%0.783SS**  trans-172.4131.5167.3-98.7146.9000107.4
887G32.4Very low37.6Very low82 Ų82125.4 Ų125.485%0.84580%0.796SS**  trans74150.1174.200000116.5
888G31Very low36.5Very low74 Ų74128.6 Ų128.676%0.76381%0.809SS**  cis169.9107.9-9.100000114.3
889S30.6Very low35.5Very low116 Ų116127.7 Ų127.781%0.81181%0.814SS**  trans58.1126.1155.8-60.90000123.7
890S30.3Very low34.6Very low119 Ų119129 Ų12983%0.83281%0.811SS**  trans87146.2130.270.40000123.9
891A29.8Very low33.7Very low86 Ų86126.6 Ų126.671%0.71181%0.807SS**  trans95.4111.3151.800000122.3
892S30.7Very low33Very low118 Ų118122.8 Ų122.883%0.82580%0.8SS**  trans62.3139.4140.449.40000124.1
893T33.7Very low32.4Very low134 Ų134120.3 Ų120.382%0.82280%0.797SS**  trans-103.8-175.1171.536.60000111.1
894P51.1Low31.7Very low113 Ų113117.4 Ų117.473%0.73479%0.785SS**  cis-129.7-177.3-45.737.4-21.9000112
895S25.7Very low31.4Very low127 Ų127119.9 Ų119.989%0.88878%0.779SS**  trans168.1-173.1142.749.40000111.5
896S31Very low31.3Very low105 Ų105120.5 Ų120.573%0.73477%0.773SS**  trans-147161.3-149.556.60000116.9
897S29.5Very low30.8Very low112 Ų112117.8 Ų117.878%0.78377%0.769SS**  trans73.3140.5152.973.60000120.3
898I29.2Very low30.5Very low159 Ų159120.6 Ų120.682%0.81576%0.764SS**  trans-140.1142.8159.5-68.1-174.9000108.2L900I898-L900 HydrophobicContact CG2-CD1 3.87Å
899S29.3Very low30.2Very low116 Ų116122.4 Ų122.481%0.81176%0.76SS**  trans-152.1141.4175.8176.70000110.8
900L28.9Very low30Very low130 Ų130123 Ų12368%0.68176%0.76SS**  trans-160.2148.5179.4-84107.7000110.4I898I898-L900 HydrophobicContact CG2-CD1 3.87Å
901K27.7Very low29.9Very low178 Ų178123.5 Ų123.577%0.77476%0.763SS**  cis-164.3166.9-15.6-121-165.9-163.7179.10113.3
902T30.5Very low29.7Very low112 Ų112122.6 Ų122.669%0.68776%0.762SS**  trans-36.8162.3164.7500000117.7
903N30.8Very low29.5Very low151 Ų151128.4 Ų128.481%0.80777%0.766SS**  cis-160.8-172.59.1-116.519.8000109.2
904G29.3Very low29.2Very low58 Ų58130.3 Ų130.360%0.59877%0.765SS**  cis154.5160-300000113
905N30.1Very low28Very low134 Ų134136.4 Ų136.472%0.71777%0.773SS**  trans68.8152.2168-6752.9000118.5
906D29.4Very low28.2Very low132 Ų132136.4 Ų136.471%0.70677%0.77SS**  cis-158.6159.2-3.9-110-24.8000113.6
907C24.7Very low27.8Very low118 Ų118142.5 Ų142.580%0.79778%0.777SS**  trans53.1162.4163.1-66.50000120.5
908D26.1Very low27.5Very low141 Ų141143.7 Ų143.775%0.75478%0.779SS**  cis-137.3-165.35.1-152.2-50.1000110.6
909T25.6Very low27.3Very low111 Ų111141.5 Ų141.568%0.68178%0.778SS**  trans-85.9-170.9-167.463.30000113.7
910T27Very low27.1Very low130 Ų130146 Ų14680%0.79878%0.784SS**  cis-158.1-179.819.8-17.60000112.6
911S27.8Very low27Very low129 Ų129143.5 Ų143.590%0.90279%0.789SS**  trans81.5151170.9-160.10000117.9
912G26.4Very low27Very low66 Ų66141.3 Ų141.368%0.6880%0.796SS**  trans171.7178.5176.300000114.3
913R25Very low26.8Very low240 Ų240139.3 Ų139.391%0.90680%0.797SS**  trans-155.3145.5160.7-120.3174.8-178.4179.30.1114.2
914H27.5Very low26.6Very low174 Ų174138.6 Ų138.681%0.80680%0.799SS**  trans-41.3141-166.5-54.4-75.4000120.9
915R25.3Very low26.5Very low242 Ų242142.7 Ų142.791%0.91381%0.812SS**  -130.9141.8124.3-75.7-173175.3-173.5-1.7109.1
916P30.5Very low26.3Very low126 Ų126142.3 Ų142.382%0.81881%0.814SS**  trans-83.3161.817733.3-34.3000113.5
917R22.8Very low26Very low234 Ų234144.6 Ų144.688%0.88383%0.826SS**  trans-79.1177.1166.3-66.1171.2169165.6-5.7109.2
918V23.9Very low26Very low136 Ų136144.4 Ų144.482%0.82483%0.826SS**  -174.2153.362.4163.90000111.6
919S23.7Very low25.9Very low114 Ų114146.3 Ų146.380%0.79784%0.835SS**  trans81.1146.3162.5-151.20000121.5
920F26.9Very low25.8Very low211 Ų211146.2 Ų146.293%0.92584%0.839SS**  trans-88.1164.4162.2-83.5-108000111.2
921G25.6Very low25.8Very low77 Ų77150.1 Ų150.179%0.79485%0.845SS**  trans-156.4141.7160.600000109.3
922S27.4Very low25.8Very low131 Ų131153.3 Ų153.392%0.91685%0.846SS**  trans-94.2147.3-177.9-170.20000111.6
923G26.9Very low25.8Very low70 Ų70158.7 Ų158.772%0.72285%0.853SS**  trans-171.1100.2176.800000112.9
924T27Very low25.9Very low137 Ų137152.9 Ų152.984%0.8485%0.85SS**  trans-79.3140.4168.344.20000110.9
925V27.2Very low25.9Very low144 Ų144156.4 Ų156.487%0.87386%0.856SS**  trans-114.2119.6169.6-179.80000109.5
926T26.3Very low26.1Very low125 Ų125156.8 Ų156.877%0.76786%0.857SS**  trans-93.3137.6170.639.80000110.5
927L22.8Very low25.9Very low181 Ų181156.5 Ų156.595%0.94886%0.858SS**  trans-77.8127.5171.1-79.3159.2000110.4
928S24.5Very low26.2Very low114 Ų114150.5 Ų150.580%0.79785%0.852SS**  trans-117.7122.8171.153.90000109.8
929L23.7Very low26.8Very low181 Ų181151.9 Ų151.995%0.94885%0.854SS**  trans-88.7132172.1-73.2161.9000109.6
930S23.8Very low27.3Very low109 Ų109159.1 Ų159.176%0.76288%0.878SS**  trans-118.6123.1164.352.50000109.2
931F26.7Very low27.3Very low212 Ų212156.6 Ų156.693%0.9388%0.876SS**  trans-76.8144.7158.9-92.1-103.3000108.4
932E26.9Very low27.4Very low196 Ų196160.7 Ų160.792%0.91688%0.88SS**  trans-135.1144.9163.9-163.9131.1-13500108.7
933E27.2Very low27.4Very low179 Ų179162.4 Ų162.484%0.83688%0.878SS**  trans-122141.9-155.4-173.1174.9-166.500111.4R935E933-R935 PolarHBondContact O-N 3.21Å
934S26.3Very low27.5Very low118 Ų118167.8 Ų167.883%0.82589%0.888SS**PPolyproline II helixtrans-68.4123.4-174.168.30000112.2
935R27.7Very low27.5Very low247 Ų247169.8 Ų169.893%0.93289%0.89SS**PPolyproline II helixtrans-100.2121.7165.4-81-170.5177-173.41.4111.9E933E933-R935 PolarHBondContact O-N 3.21Å
936R29.7Very low27.5Very low251 Ų251171.5 Ų171.595%0.94789%0.892SS**PPolyproline II helixtrans-68.5145.7151.8-80.9174.3159.8169.9-7.5109.4
937S27.6Very low27.6Very low120 Ų120174.8 Ų174.884%0.83990%0.901SS**  trans-137.4112.315854.10000109.1
938S29.4Very low28Very low107 Ų107174.3 Ų174.375%0.74890%0.897SS**  trans-86.1145.216950.50000110.4
939L35.6Very low28.2Very low166 Ų166179.3 Ų179.387%0.86991%0.905SS**  trans164.9100.1130.3-90.9159.7000111.4
940M34.2Very low28.7Very low266 Ų266179.2 Ų179.2100%1.3190%0.901SS**  -161.40104.7-100.2-178.4172.300109.7

Retrieved 940 of 940 residues in 4468.3 ms (Link to these results)

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