A0A087XLQ7_POEFO Loading...

Inosine-5'-monophosphate dehydrogenase

Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth.

AlphaFold DB , UniProt , Accession A0A087XLQ7, Species POEFO (Poecilia formosa, Amazon molly), Gene IMPDH, Length 516 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
1M49.7Very low53Low228 Ų228141.1 Ų141.1100%1.12378%0.783SS**  09.90-89-153.7-86.100113.5
2A52.6Low54.8Low66 Ų66143.6 Ų143.655%0.54577%0.774SS.*  trans-106-18.2173.800000113.4Y4 L5A2-Y4 PolarHBondContact O-N 3.37Å; A2-L5 PolarHBondContact O-N 3.28Å
3D44.8Very low56.2Low140 Ų140141.8 Ų141.875%0.74977%0.77SS**THydrogen-bonded Turntrans-76-5-174.5-54.4-50.6000114.9
4Y47.1Very low58Low220 Ų220137.6 Ų137.686%0.86375%0.754SS**THydrogen-bonded Turntrans-96.2-2.9173.6-79.3-83.4000113.4A2A2-Y4 PolarHBondContact O-N 3.37Å
5L50.9Low59.8Low146 Ų146139 Ų13976%0.76475%0.753SS**SBendtrans-85.9-13-177.1-84.7158.6000113.7A2A2-L5 PolarHBondContact O-N 3.28Å
6I59.2Low61.8Low158 Ų158138.2 Ų138.281%0.8175%0.748SS**SBendtrans-144.533.9-170.1-33.8178000112.5
7S61.3Low63.7Low96 Ų96131.1 Ų131.167%0.67171%0.714SS**  trans-154.9102.2164.454.90000110.9
8G47.7Very low65.5Low55 Ų55127.1 Ų127.157%0.56769%0.692SS**  trans-123114.6157.700000107.4T10G8-T10 PolarHBondContact O-N 3Å
9E51.4Low67.1Low212 Ų212121.7 Ų121.799%0.99166%0.664SS**  trans-65.768.2153.2-70.8-175.5159.800107.9
10T55.7Low68.5Low102 Ų102115.7 Ų115.763%0.62663%0.631SS**  trans-112.6123.1176.454.70000107.8G8 Y12G8-T10 PolarHBondContact O-N 3Å; T10-Y12 PolarHBondContact O-N 3.18Å
11S62.6Low69.7Low129 Ų129116.3 Ų116.390%0.90263%0.629SS**  trans-6918.717161.30000113.3
12Y74.4Confident71.9Confident171 Ų171110.4 Ų110.467%0.67160%0.599SS**  trans-81.2119-177.4177.2-103.8000109.5T10 P14T10-Y12 PolarHBondContact O-N 3.18Å; Y12-P14 HydrophobicContact CD1-CG 4.24Å; Y12-P14 HydrophobicContact CE1-CB 4.21Å; Y12-P14 HydrophobicContact CE1-CG 3.83Å
13V73.6Confident73.9Confident121 Ų121107.4 Ų107.473%0.73357%0.574SS**  trans-103.6115.3171-1770000107E15V13-E15 PolarHBondContact O-N 2.87Å
14P81.1Confident76.3Confident83 Ų83100.8 Ų100.854%0.53954%0.539SS..  trans-57.5135.2171.9-2131000110.7Y12 D16Y12-P14 HydrophobicContact CD1-CG 4.24Å; Y12-P14 HydrophobicContact CE1-CB 4.21Å; Y12-P14 HydrophobicContact CE1-CG 3.83Å; P14-D16 PolarHBondContact O-N 2.79Å
15E85.3Confident78.5Confident158 Ų15895.1 Ų95.174%0.73852%0.523SS*.  trans-7294169.9-77.8-76.9159.200108.9V13 K491V13-E15 PolarHBondContact O-N 2.87Å; E15-K491 IonicContact OE1-NZ 3.9Å; E15-K491 IonicContact OE2-NZ 3.63Å; E15-K491 PolarHBondContact OE2-NZ 3.14Å
16D92.4Very high80.2Confident126 Ų12691.4 Ų91.467%0.67451%0.509SS*.  trans-123.4143.9175.6-169.919.6000110.7P14 K491P14-D16 PolarHBondContact O-N 2.79Å; D16-K491 WeakPolarHBondContact O-CG 3.37Å
17G93.8Very high81.2Confident17 Ų1787.3 Ų87.318%0.17551%0.506CS..SBendtrans80.4173.1-172.300000115.4
18L96Very high82.6Confident60 Ų6086.4 Ų86.431%0.31449%0.493SS..EExtended strand (participates in β ladder)trans-101.6134.4-175.3-58174.8000111.9Q22 L23 K491 F492L18-Q22 HydrophobicContact CB-CB 4.36Å; L18-Q22 HydrophobicContact CD2-CB 4.34Å; L18-L23 HydrophobicContact CB-CB 4.43Å; L18-L23 HydrophobicContact CD1-CD1 4.15Å; L18-K491 CarbonylContact O-C 3.59Å; L18-K491 WeakPolarHBondContact O-CA 3.46Å; L18-F492 WeakPolarHBondContact CB-O 3.32Å; L18-F492 PolarHBondContact N-O 3.13Å; L18-F492 PolarHBondContact O-N 2.9Å
19T96.2Very high84.8Confident25 Ų2586 Ų8615%0.15349%0.489CS..EExtended strand (participates in β ladder)trans-65.9160.5165.162.80000111.2Q21 Q22 L23 K491T19-Q21 PolarHBondContact O-N 2.93Å; T19-Q22 PolarHBondContact O-N 2.81Å; T19-Q22 VanDerWaalsContact O-N 3.16Å; T19-Q22 WeakPolarHBondContact OG1-CB 3.43Å; T19-Q22 VanDerWaalsContact OG1-CG 3.31Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.49Å; T19-Q22 PolarHBondContact OG1-N 3.19Å; T19-Q22 PolarHBondContact OG1-OE1 3.22Å; T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 PolarHBondContact O-N 3.28Å; T19-K491 HydrophobicContact CG2-CD 4.34Å
20G93.8Very high86.9Confident1 Ų176.1 Ų76.11%0.0144%0.443CS..Hα-helixtrans-55.2-39.1173.400000112.6L23 F24 Y349G20-L23 PolarHBondContact O-N 2.94Å; G20-F24 VanDerWaalsContact O-CD2 3.26Å; G20-F24 WeakPolarHBondContact O-CD2 3.45Å; G20-F24 PolarHBondContact O-N 3.01Å; G20-Y349 VanDerWaalsContact C-OH 3.3Å
21Q94.5Very high88.8Confident128 Ų12873.9 Ų73.960%0.59843%0.429SS*.Hα-helixtrans-65.5-44.4177.6-172.4176.35.300112.2T19 N25 Y349T19-Q21 PolarHBondContact O-N 2.93Å; Q21-N25 WeakPolarHBondContact CG-ND2 3.5Å; Q21-N25 WeakPolarHBondContact O-CB 3.43Å; Q21-N25 PolarHBondContact O-N 3.03Å; Q21-N25 VanDerWaalsContact O-N 3.17Å; Q21-N25 PolarHBondContact O-ND2 3.26Å; Q21-Y349 WeakPolarHBondContact CA-OH 3.23Å; Q21-Y349 PolarHBondContact N-OH 3.38Å
22Q95.4Very high90.3Very high105 Ų10568 Ų6849%0.49139%0.387SS..Hα-helixtrans-62.8-44.9176.2-73.5161.7-41.400111.1L18 T19L18-Q22 HydrophobicContact CB-CB 4.36Å; L18-Q22 HydrophobicContact CD2-CB 4.34Å; T19-Q22 PolarHBondContact O-N 2.81Å; T19-Q22 VanDerWaalsContact O-N 3.16Å; T19-Q22 WeakPolarHBondContact OG1-CB 3.43Å; T19-Q22 VanDerWaalsContact OG1-CG 3.31Å; T19-Q22 WeakPolarHBondContact OG1-CG 3.49Å; T19-Q22 PolarHBondContact OG1-N 3.19Å; T19-Q22 PolarHBondContact OG1-OE1 3.22Å
23L95.6Very high91.3Very high2 Ų262.8 Ų62.81%0.0137%0.371CS..Hα-helixtrans-63-47.1-179.3-178.366.1000112.5L18 T19 G20 C26 L30 F35 F492 K494L18-L23 HydrophobicContact CB-CB 4.43Å; L18-L23 HydrophobicContact CD1-CD1 4.15Å; T19-L23 WeakPolarHBondContact O-CB 3.47Å; T19-L23 PolarHBondContact O-N 3.28Å; G20-L23 PolarHBondContact O-N 2.94Å; L23-C26 PolarHBondContact O-SG 3.12Å; L23-L30 HydrophobicContact CD1-CD1 3.69Å; L23-L30 HydrophobicContact CD2-CD1 4.16Å; L23-L30 HydrophobicContact CG-CD1 3.63Å; L23-F35 HydrophobicContact CD2-CB 3.91Å; L23-F35 HydrophobicContact CD2-CD1 4.49Å; L23-F35 HydrophobicContact CD2-CD2 4.09Å; L23-F35 HydrophobicContact CD2-CG 3.9Å; L23-F492 HydrophobicContact CD2-CB 3.72Å; L23-F492 HydrophobicContact CD2-CG 4.12Å; L23-K494 HydrophobicContact CD1-CB 4.07Å
24F94.8Very high92.4Very high2 Ų258.7 Ų58.71%0.00935%0.345CS..Hα-helixtrans-90.1-0.5-173.8-71.2-77.8000115.1G20 L30 F35 A345 T346 Y349 K350 L380G20-F24 VanDerWaalsContact O-CD2 3.26Å; G20-F24 WeakPolarHBondContact O-CD2 3.45Å; G20-F24 PolarHBondContact O-N 3.01Å; F24-L30 HydrophobicContact CD1-CD1 4.27Å; F24-L30 HydrophobicContact CE1-CB 4.06Å; F24-L30 HydrophobicContact CE1-CD1 4.1Å; F24-F35 HydrophobicContact CZ-CE1 4.33Å; F24-A345 HydrophobicContact CE1-CB 4.38Å; F24-A345 HydrophobicContact CZ-CB 4.45Å; F24-T346 HydrophobicContact CD1-CG2 4.2Å; F24-Y349 HydrophobicContact CB-CD1 3.53Å; F24-Y349 HydrophobicContact CB-CE1 3.59Å; F24-Y349 HydrophobicContact CB-CG 4.34Å; F24-Y349 HydrophobicContact CD1-CD1 4.27Å; F24-Y349 HydrophobicContact CD1-CG 4.43Å; F24-Y349 AromaticContact CD2-CD1 3.61Å; F24-Y349 HydrophobicContact CD2-CD1 3.61Å; F24-Y349 AromaticContact CD2-CD2 3.78Å; F24-Y349 HydrophobicContact CD2-CD2 3.78Å; F24-Y349 AromaticContact CD2-CE1 3.92Å; F24-Y349 HydrophobicContact CD2-CE1 3.92Å; F24-Y349 HydrophobicContact CD2-CE2 4.07Å; F24-Y349 AromaticContact CD2-CG 3.54Å; F24-Y349 HydrophobicContact CD2-CG 3.54Å; F24-Y349 HydrophobicContact CE2-CD1 4.44Å; F24-Y349 HydrophobicContact CE2-CD2 4.03Å; F24-Y349 AromaticContact CE2-CG 3.94Å; F24-Y349 HydrophobicContact CE2-CG 3.94Å; F24-Y349 AromaticContact CG-CD1 3.53Å; F24-Y349 HydrophobicContact CG-CD1 3.53Å; F24-Y349 AromaticContact CG-CE1 3.97Å; F24-Y349 HydrophobicContact CG-CE1 3.97Å; F24-Y349 AromaticContact CG-CG 3.84Å; F24-Y349 HydrophobicContact CG-CG 3.84Å; F24-K350 PolarHBondContact O-NZ 2.89Å; F24-L380 HydrophobicContact CD2-CD2 4.48Å; F24-L380 HydrophobicContact CE2-CD1 4.39Å; F24-L380 HydrophobicContact CE2-CD2 3.35Å; F24-L380 HydrophobicContact CE2-CG 4.5Å; F24-L380 HydrophobicContact CZ-CD1 3.8Å; F24-L380 HydrophobicContact CZ-CD2 3.62Å; F24-L380 HydrophobicContact CZ-CG 4.37Å
25N92.9Very high93.1Very high100 Ų10054.8 Ų54.854%0.53532%0.319SS..THydrogen-bonded Turntrans-103.92.8173.8-69.6-18.2000114Q21 G27Q21-N25 WeakPolarHBondContact CG-ND2 3.5Å; Q21-N25 WeakPolarHBondContact O-CB 3.43Å; Q21-N25 PolarHBondContact O-N 3.03Å; Q21-N25 VanDerWaalsContact O-N 3.17Å; Q21-N25 PolarHBondContact O-ND2 3.26Å; N25-G27 PolarHBondContact O-N 2.94Å
26C86.8Confident93.7Very high69 Ų6950.7 Ų50.747%0.46630%0.302SS..SBendtrans-70.5-4.5177.467.70000115L23L23-C26 PolarHBondContact O-SG 3.12Å
27G80.8Confident93.9Very high72 Ų7246.1 Ų46.174%0.74228%0.278SS*.SBendtrans97.4-18.7178.800000114.6N25N25-G27 PolarHBondContact O-N 2.94Å
28D91.1Very high94Very high77 Ų7747.9 Ų47.941%0.41228%0.282SS..  trans-80.2150.5-179.9-65.7-31.9000113.3L30 K494D28-L30 HydrophobicContact CB-CD2 4.11Å; D28-K494 IonicContact OD2-NZ 2.87Å; D28-K494 PolarHBondContact OD2-NZ 2.95Å
29G92.3Very high94Very high46 Ų4650 Ų5047%0.47430%0.3SS..  trans-90.6110.8166.500000110.7
30L96.3Very high93.8Very high4 Ų450.7 Ų50.72%0.02131%0.312CS..  trans-100.2142.8-177.4-54.6176.8000112.5L23 F24 D28 D34 P343 A345 T346L23-L30 HydrophobicContact CD1-CD1 3.69Å; L23-L30 HydrophobicContact CD2-CD1 4.16Å; L23-L30 HydrophobicContact CG-CD1 3.63Å; F24-L30 HydrophobicContact CD1-CD1 4.27Å; F24-L30 HydrophobicContact CE1-CB 4.06Å; F24-L30 HydrophobicContact CE1-CD1 4.1Å; D28-L30 HydrophobicContact CB-CD2 4.11Å; L30-D34 HydrophobicContact CB-CB 4.34Å; L30-D34 HydrophobicContact CD2-CB 3.94Å; L30-P343 WeakPolarHBondContact O-CB 3.38Å; L30-A345 WeakPolarHBondContact O-CB 3.49Å; L30-A345 PolarHBondContact O-N 2.94Å; L30-T346 PolarHBondContact N-OG1 2.91Å; L30-T346 PolarHBondContact O-N 2.66Å; L30-T346 VanDerWaalsContact O-N 3.16Å; L30-T346 PolarHBondContact O-OG1 3.45Å
31T95.4Very high93.8Very high56 Ų5659.7 Ų59.734%0.34435%0.347SS..  trans-105.1178.2167.974.80000110.8N33 D34 F35 P343T31-N33 PolarHBondContact O-N 3.36Å; T31-D34 WeakPolarHBondContact CA-OD2 3.41Å; T31-D34 WeakPolarHBondContact CB-OD2 3.49Å; T31-D34 PolarHBondContact N-OD2 3.49Å; T31-D34 PolarHBondContact O-N 3.02Å; T31-D34 PolarHBondContact OG1-OD2 2.91Å; T31-F35 WeakPolarHBondContact O-CD1 3.21Å; T31-F35 VanDerWaalsContact O-CE1 3.32Å; T31-F35 WeakPolarHBondContact O-CE1 3.45Å; T31-P343 HydrophobicContact CG2-CB 3.97Å
32Y95Very high93.8Very high5 Ų556.7 Ų56.72%0.0234%0.335CS..THydrogen-bonded Turntrans-66-22.3-177.3-57.6-58.5000114.3Q344 A345 G367 I368 H373 K376 A377Y32-Q344 HydrophobicContact CE2-CB 4.11Å; Y32-Q344 HydrophobicContact CE2-CG 3.78Å; Y32-Q344 VanDerWaalsContact OH-CG 3.27Å; Y32-Q344 WeakPolarHBondContact OH-CG 3.21Å; Y32-A345 HydrophobicContact CD1-CB 3.82Å; Y32-A345 HydrophobicContact CE1-CB 4Å; Y32-G367 WeakPolarHBondContact CD2-O 3.36Å; Y32-I368 HydrophobicContact CD2-CG1 4.5Å; Y32-I368 HydrophobicContact CE2-CD1 4.45Å; Y32-I368 HydrophobicContact CE2-CG1 3.8Å; Y32-H373 HydrophobicContact CD2-CB 4.1Å; Y32-H373 HydrophobicContact CG-CB 4.23Å; Y32-K376 HydrophobicContact CD1-CB 4.1Å; Y32-K376 WeakPolarHBondContact O-CD 3.32Å; Y32-K376 WeakPolarHBondContact O-CE 3.39Å; Y32-K376 PolarHBondContact O-NZ 2.87Å; Y32-A377 HydrophobicContact CE1-CB 3.8Å
33N95Very high93.7Very high61 Ų6156.3 Ų56.333%0.32634%0.336SS..THydrogen-bonded Turntrans-84.6-19.1-179.8-76.5-25.5000113.3T31 F35 H373T31-N33 PolarHBondContact O-N 3.36Å; N33-F35 VanDerWaalsContact C-N 3.25Å; N33-F35 PolarHBondContact O-N 3.09Å; N33-H373 PolarHBondContact OD1-NE2 2.73Å
34D96.2Very high93.8Very high36 Ų3656.9 Ų56.919%0.19334%0.338CS..SBendtrans-78.8-5.7-170.6-58.2-43.2000114.1L30 T31 K494 R495 Q500L30-D34 HydrophobicContact CB-CB 4.34Å; L30-D34 HydrophobicContact CD2-CB 3.94Å; T31-D34 WeakPolarHBondContact CA-OD2 3.41Å; T31-D34 WeakPolarHBondContact CB-OD2 3.49Å; T31-D34 PolarHBondContact N-OD2 3.49Å; T31-D34 PolarHBondContact O-N 3.02Å; T31-D34 PolarHBondContact OG1-OD2 2.91Å; D34-K494 WeakPolarHBondContact O-CG 3.41Å; D34-R495 PolarHBondContact O-N 2.86Å; D34-Q500 PolarHBondContact OD1-NE2 3.08Å
35F96.4Very high93.8Very high0 Ų060.2 Ų60.20%036%0.359CS..EExtended strand (participates in β ladder)trans-148.1166.2179.370.4-84.3000112.3L23 F24 T31 N33 A345 K376 L380 F492 E493L23-F35 HydrophobicContact CD2-CB 3.91Å; L23-F35 HydrophobicContact CD2-CD1 4.49Å; L23-F35 HydrophobicContact CD2-CD2 4.09Å; L23-F35 HydrophobicContact CD2-CG 3.9Å; F24-F35 HydrophobicContact CZ-CE1 4.33Å; T31-F35 WeakPolarHBondContact O-CD1 3.21Å; T31-F35 VanDerWaalsContact O-CE1 3.32Å; T31-F35 WeakPolarHBondContact O-CE1 3.45Å; N33-F35 VanDerWaalsContact C-N 3.25Å; N33-F35 PolarHBondContact O-N 3.09Å; F35-A345 HydrophobicContact CE1-CB 3.74Å; F35-A345 HydrophobicContact CZ-CB 4.39Å; F35-K376 HydrophobicContact CE2-CB 4.36Å; F35-K376 HydrophobicContact CE2-CD 4.12Å; F35-K376 HydrophobicContact CE2-CG 4.12Å; F35-K376 HydrophobicContact CZ-CB 4.05Å; F35-K376 HydrophobicContact CZ-CD 4.06Å; F35-K376 HydrophobicContact CZ-CG 4.2Å; F35-K376 WeakPolarHBondContact O-CE 3.45Å; F35-K376 PolarHBondContact O-NZ 2.93Å; F35-L380 HydrophobicContact CE1-CD1 4.2Å; F35-L380 HydrophobicContact CE2-CD2 4.39Å; F35-L380 HydrophobicContact CZ-CD1 3.65Å; F35-L380 HydrophobicContact CZ-CD2 4.22Å; F35-L380 HydrophobicContact CZ-CG 4.1Å; F35-F492 AromaticContact CD2-CD1 3.75Å; F35-F492 HydrophobicContact CD2-CD1 3.75Å; F35-F492 HydrophobicContact CD2-CE1 4.47Å; F35-F492 AromaticContact CE2-CD1 3.8Å; F35-F492 HydrophobicContact CE2-CD1 3.8Å; F35-F492 HydrophobicContact CE2-CE1 4.07Å; F35-E493 CarbonylContact C-O 3.49Å; F35-E493 WeakPolarHBondContact CA-O 3.35Å; F35-E493 WeakPolarHBondContact CB-O 3.27Å
36L96.6Very high93.9Very high73 Ų7356 Ų5638%0.38234%0.338SS..EExtended strand (participates in β ladder)trans-121.1162.2171.4-73.4158.3000110.5F492 E493 R495L36-F492 CarbonylContact O-C 3.46Å; L36-F492 WeakPolarHBondContact O-CA 3.42Å; L36-F492 WeakPolarHBondContact O-CB 3.26Å; L36-E493 PolarHBondContact N-O 2.97Å; L36-E493 PolarHBondContact O-N 3.14Å; L36-R495 HydrophobicContact CD1-CG 3.89Å; L36-R495 HydrophobicContact CG-CG 4.13Å
37I96.6Very high94.3Very high30 Ų3060.9 Ų60.915%0.15435%0.354CS..EExtended strand (participates in β ladder)trans-100.6130.8168.1-55.2172.4000105.9K376 A379 I473 L490 F492I37-K376 HydrophobicContact CD1-CG 4.08Å; I37-K376 HydrophobicContact CG1-CG 4.37Å; I37-A379 HydrophobicContact CD1-CB 3.45Å; I37-A379 VanDerWaalsContact CD1-CB 3.45Å; I37-I473 HydrophobicContact CB-CD1 4.38Å; I37-I473 HydrophobicContact CB-CG1 4.47Å; I37-I473 HydrophobicContact CD1-CD1 3.83Å; I37-I473 HydrophobicContact CG2-CD1 3.91Å; I37-I473 HydrophobicContact CG2-CG1 3.8Å; I37-I473 HydrophobicContact CG2-CG2 4.34Å; I37-L490 HydrophobicContact CG2-CD1 3.57Å; I37-L490 HydrophobicContact CG2-CD2 4.22Å; I37-L490 HydrophobicContact CG2-CG 4.03Å; I37-F492 HydrophobicContact CD1-CE1 4.49Å; I37-F492 HydrophobicContact CG1-CD1 3.92Å; I37-F492 HydrophobicContact CG1-CE1 3.82Å
38L96.8Very high94.9Very high53 Ų5363.2 Ų63.228%0.27735%0.345SS..PPolyproline II helixtrans-77.9143.6176.7-62.3-174.2000110.1K491 E493L38-K491 HydrophobicContact CB-CB 4.24Å; L38-K491 HydrophobicContact CD1-CB 3.82Å; L38-K491 HydrophobicContact CG-CB 4.28Å; L38-K491 PolarHBondContact N-O 2.99Å; L38-E493 HydrophobicContact CD2-CB 4.05Å
39P96.3Very high95.1Very high105 Ų10559.8 Ų59.868%0.68233%0.327SS*.PPolyproline II helixtrans-68.8156.9179.529.8-35.1000111.7D472P39-D472 WeakPolarHBondContact CA-O 3.44Å; P39-D472 WeakPolarHBondContact CB-O 3.47Å
40G92.4Very high95.3Very high40 Ų4061.4 Ų61.441%0.41233%0.325SS..  trans-116.5-168.4179.600000113.4D472 I473G40-D472 PolarHBondContact N-O 2.95Å; G40-D472 VanDerWaalsContact N-O 3.12Å; G40-I473 WeakPolarHBondContact CA-O 3.4Å; G40-I473 PolarHBondContact N-O 2.69Å
41Y92.3Very high95.2Very high190 Ų19061.5 Ų61.575%0.74533%0.325SS*.  trans-82.2141.3171.1174.5-101.6000111.2D43 G474Y41-D43 HydrophobicContact CE1-CB 3.83Å; Y41-G474 VanDerWaalsContact O-CA 3.3Å; Y41-G474 WeakPolarHBondContact O-CA 3.45Å
42I95Very high95.1Very high65 Ų6560.2 Ų60.233%0.33332%0.318SS..  trans-130.4120.4-172.4-48.1175.5000110F44 Q471I42-F44 HydrophobicContact CG2-CD1 4.24Å; I42-F44 HydrophobicContact CG2-CE1 4.24Å; I42-F44 WeakPolarHBondContact CG2-O 3.28Å; I42-Q471 HydrophobicContact CD1-CG 4.49Å; I42-Q471 WeakPolarHBondContact CD1-O 3.48Å; I42-Q471 VanDerWaalsContact CG1-O 3.23Å; I42-Q471 WeakPolarHBondContact CG1-O 3.49Å; I42-Q471 HydrophobicContact CG2-CG 3.74Å
43D94.1Very high94.9Very high97 Ų9760.1 Ų60.152%0.51932%0.318SS..  trans-121.718.7174.869.6-31.3000112.9Y41 K476Y41-D43 HydrophobicContact CE1-CB 3.83Å; D43-K476 WeakPolarHBondContact OD1-CE 3.46Å; D43-K476 IonicContact OD1-NZ 2.88Å; D43-K476 PolarHBondContact OD1-NZ 3.23Å; D43-K476 IonicContact OD2-NZ 3.67Å; D43-K476 PolarHBondContact OD2-NZ 2.97Å
44F96.6Very high94.8Very high14 Ų1459 Ų596%0.06132%0.316CS..SBendtrans-147.1169.9-172.861.3-81.3000112.5I42 V49 Q471 K476I42-F44 HydrophobicContact CG2-CD1 4.24Å; I42-F44 HydrophobicContact CG2-CE1 4.24Å; I42-F44 WeakPolarHBondContact CG2-O 3.28Å; F44-V49 HydrophobicContact CD2-CG2 4.11Å; F44-V49 HydrophobicContact CE2-CG2 3.54Å; F44-Q471 HydrophobicContact CD2-CG 4.3Å; F44-Q471 HydrophobicContact CE2-CB 4.05Å; F44-Q471 HydrophobicContact CE2-CG 3.89Å; F44-Q471 HydrophobicContact CZ-CG 4.41Å; F44-Q471 PolarHBondContact O-NE2 2.95Å; F44-K476 HydrophobicContact CD1-CD 3.99Å; F44-K476 HydrophobicContact CD1-CG 3.52Å; F44-K476 HydrophobicContact CD2-CG 3.99Å; F44-K476 HydrophobicContact CE1-CD 4.38Å; F44-K476 HydrophobicContact CE1-CG 3.53Å; F44-K476 HydrophobicContact CE2-CG 4.03Å; F44-K476 HydrophobicContact CG-CD 4.23Å; F44-K476 HydrophobicContact CG-CG 3.75Å; F44-K476 HydrophobicContact CZ-CG 3.8Å
45T96Very high94.7Very high72 Ų7257.2 Ų57.244%0.44231%0.307SS..  trans-99.3154.4177.463.30000112.3E47 Q48T45-E47 VanDerWaalsContact C-N 3.26Å; T45-E47 PolarHBondContact O-N 3.43Å; T45-Q48 WeakPolarHBondContact O-CB 3.43Å; T45-Q48 PolarHBondContact O-N 3.49Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.45Å; T45-Q48 PolarHBondContact OG1-NE2 2.84Å
46A95Very high94.6Very high10 Ų1057.2 Ų57.28%0.08331%0.307CS..G310 helixtrans-52.3-40.2179.500000113.8Q48 V49 Q467 Q471A46-Q48 PolarHBondContact O-N 2.96Å; A46-V49 VanDerWaalsContact O-CB 3.32Å; A46-V49 WeakPolarHBondContact O-CB 3.26Å; A46-V49 WeakPolarHBondContact O-CG2 3.46Å; A46-V49 PolarHBondContact O-N 3.24Å; A46-Q467 HydrophobicContact CB-CB 4.36Å; A46-Q471 HydrophobicContact CB-CB 4.41Å; A46-Q471 VanDerWaalsContact N-CD 3.3Å
47E93.5Very high94.4Very high172 Ų17258.6 Ų58.680%0.80431%0.31SS*.G310 helixtrans-62.7-23.7-179.4-63.4179.9178.400113.3T45 V49T45-E47 VanDerWaalsContact C-N 3.26Å; T45-E47 PolarHBondContact O-N 3.43Å; E47-V49 VanDerWaalsContact C-N 3.26Å; E47-V49 PolarHBondContact O-N 3.37Å
48Q93.9Very high94.3Very high122 Ų12263.7 Ų63.757%0.5733%0.333SS*.G310 helixtrans-79-8.8177.5-63.1176.716.700112.9T45 A46 D50T45-Q48 WeakPolarHBondContact O-CB 3.43Å; T45-Q48 PolarHBondContact O-N 3.49Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.45Å; T45-Q48 PolarHBondContact OG1-NE2 2.84Å; A46-Q48 PolarHBondContact O-N 2.96Å; Q48-D50 PolarHBondContact O-N 3.46Å
49V96.4Very high94.2Very high4 Ų462.2 Ų62.22%0.02433%0.325CS..  trans-72.5120.1179.2178.10000110.6F44 A46 E47 L51 Q467 C470 Q471 K476F44-V49 HydrophobicContact CD2-CG2 4.11Å; F44-V49 HydrophobicContact CE2-CG2 3.54Å; A46-V49 VanDerWaalsContact O-CB 3.32Å; A46-V49 WeakPolarHBondContact O-CB 3.26Å; A46-V49 WeakPolarHBondContact O-CG2 3.46Å; A46-V49 PolarHBondContact O-N 3.24Å; E47-V49 VanDerWaalsContact C-N 3.26Å; E47-V49 PolarHBondContact O-N 3.37Å; V49-L51 HydrophobicContact CG1-CD2 3.83Å; V49-L51 HydrophobicContact CG1-CG 4.37Å; V49-Q467 HydrophobicContact CB-CB 4.25Å; V49-Q467 HydrophobicContact CB-CG 4.18Å; V49-Q467 HydrophobicContact CG1-CG 4.49Å; V49-Q467 PolarHBondContact O-NE2 3.13Å; V49-C470 HydrophobicContact CG1-CB 3.65Å; V49-C470 HydrophobicContact CG2-CB 4.3Å; V49-Q471 HydrophobicContact CG2-CB 4.46Å; V49-K476 WeakPolarHBondContact CA-O 3.03Å
50D95Very high94.1Very high81 Ų8161 Ų6143%0.43332%0.316SS..BIsolated β-bridgetrans-84.6115.9174-175.416.5000111.8Q48 T52 K476 S477 L478Q48-D50 PolarHBondContact O-N 3.46Å; D50-T52 WeakPolarHBondContact OD1-CB 3.48Å; D50-T52 PolarHBondContact OD1-N 3.38Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å; D50-T52 PolarHBondContact OD2-OG1 3.27Å; D50-K476 PolarHBondContact N-O 3.29Å; D50-S477 VanDerWaalsContact O-CA 3.25Å; D50-S477 WeakPolarHBondContact O-CA 3.25Å; D50-L478 PolarHBondContact O-N 3.31Å
51L94.4Very high94.1Very high5 Ų559.1 Ų59.13%0.02630%0.297CS..  trans-96.511.7177.1-61-176.6000113.6V49 S53 K62 L463 T466 Q467 L478V49-L51 HydrophobicContact CG1-CD2 3.83Å; V49-L51 HydrophobicContact CG1-CG 4.37Å; L51-S53 PolarHBondContact O-N 3.11Å; L51-S53 PolarHBondContact O-OG 3.11Å; L51-K62 CarbonylContact C-O 3.59Å; L51-L463 HydrophobicContact CB-CD1 4.46Å; L51-L463 HydrophobicContact CD1-CD1 3.43Å; L51-L463 VanDerWaalsContact CD1-CD1 3.43Å; L51-L463 HydrophobicContact CD1-CG 4.15Å; L51-T466 HydrophobicContact CD1-CG2 4.08Å; L51-T466 HydrophobicContact CD2-CG2 4.03Å; L51-Q467 HydrophobicContact CD1-CG 3.47Å; L51-Q467 VanDerWaalsContact CD1-CG 3.47Å; L51-Q467 HydrophobicContact CD2-CG 4.5Å; L51-Q467 HydrophobicContact CG-CG 3.91Å; L51-L478 HydrophobicContact CB-CD1 4.32Å; L51-L478 HydrophobicContact CD2-CD1 4.19Å; L51-L478 HydrophobicContact CD2-CD2 3.77Å; L51-L478 HydrophobicContact CD2-CG 3.82Å; L51-L478 WeakPolarHBondContact O-CD1 3.38Å
52T93.4Very high94.1Very high30 Ų3055.2 Ų55.218%0.18428%0.283CS..  trans-57.1133173.3-60.60000110.4D50 T60 M61D50-T52 WeakPolarHBondContact OD1-CB 3.48Å; D50-T52 PolarHBondContact OD1-N 3.38Å; D50-T52 PolarHBondContact OD1-OG1 2.93Å; D50-T52 PolarHBondContact OD2-OG1 3.27Å; T52-T60 HydrophobicContact CG2-CG2 3.4Å; T52-T60 VanDerWaalsContact CG2-CG2 3.4Å; T52-M61 CarbonylContact C-O 3.57Å; T52-M61 WeakPolarHBondContact CA-O 3.46Å
53S90.9Very high94Very high3 Ų352.1 Ų52.12%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-151144-174.449.90000112.6L51 T60 M61 S383 T384L51-S53 PolarHBondContact O-N 3.11Å; L51-S53 PolarHBondContact O-OG 3.11Å; S53-T60 WeakPolarHBondContact O-CA 3.17Å; S53-T60 WeakPolarHBondContact O-CG2 3.36Å; S53-M61 PolarHBondContact N-O 3.41Å; S53-M61 PolarHBondContact O-N 2.97Å; S53-S383 VanDerWaalsContact CB-O 3.3Å; S53-S383 WeakPolarHBondContact CB-O 3.09Å; S53-T384 VanDerWaalsContact CB-CG2 3.41Å; S53-T384 WeakPolarHBondContact O-CG2 3.36Å; S53-T384 VanDerWaalsContact OG-CG2 3.31Å; S53-T384 WeakPolarHBondContact OG-CG2 3.33Å
54A92.1Very high94Very high36 Ų3647.5 Ų47.530%0.29824%0.243SC..EExtended strand (participates in β ladder)trans-85109.2-177.800000114.3I59 P361 T384A54-I59 CarbonylContact C-O 3.57Å; A54-P361 HydrophobicContact CB-CG 4.39Å; A54-P361 VanDerWaalsContact O-CB 3.25Å; A54-P361 WeakPolarHBondContact O-CB 3.4Å; A54-P361 WeakPolarHBondContact O-CG 3.29Å; A54-T384 VanDerWaalsContact C-OG1 3.27Å; A54-T384 VanDerWaalsContact O-CB 3.26Å; A54-T384 WeakPolarHBondContact O-CB 3.35Å; A54-T384 WeakPolarHBondContact O-CG2 3.49Å; A54-T384 PolarHBondContact O-OG1 3.26Å
55L94.8Very high93.9Very high0 Ų046.9 Ų46.90%024%0.24CC..SBendtrans-69.2-41.3-176.5177.269.5000111.3I59 M61 V66 I88 F90 V271 I301 A321 I363 T384 A385L55-I59 HydrophobicContact CB-CB 4.37Å; L55-I59 HydrophobicContact CB-CG2 4.1Å; L55-I59 HydrophobicContact CD2-CG2 4.05Å; L55-I59 PolarHBondContact N-O 3.39Å; L55-M61 HydrophobicContact CB-CE 4.15Å; L55-M61 HydrophobicContact CB-CG 4.23Å; L55-M61 HydrophobicContact CB-SD 4.24Å; L55-M61 HydrophobicContact CD1-CE 3.92Å; L55-M61 HydrophobicContact CD1-SD 4.32Å; L55-M61 HydrophobicContact CD2-SD 4.12Å; L55-M61 HydrophobicContact CG-CE 4.48Å; L55-M61 HydrophobicContact CG-SD 4.46Å; L55-V66 HydrophobicContact CD1-CG2 4.19Å; L55-I88 HydrophobicContact CD1-CG2 4.38Å; L55-I88 HydrophobicContact CD2-CD1 3.95Å; L55-I88 HydrophobicContact CD2-CG2 3.93Å; L55-F90 HydrophobicContact CD2-CZ 4.46Å; L55-V271 HydrophobicContact CD2-CG1 4.1Å; L55-I301 HydrophobicContact CD1-CD1 4.4Å; L55-I301 HydrophobicContact CG-CD1 4.45Å; L55-A321 VanDerWaalsContact O-CB 3.26Å; L55-A321 WeakPolarHBondContact O-CB 3.27Å; L55-I363 HydrophobicContact CD1-CD1 3.7Å; L55-T384 VanDerWaalsContact CA-CG2 3.41Å; L55-T384 WeakPolarHBondContact CA-OG1 3.47Å; L55-T384 HydrophobicContact CB-CG2 4.15Å; L55-A385 HydrophobicContact CD1-CB 4.35Å
56T95.5Very high93.9Very high0 Ų043.4 Ų43.40%022%0.219CC..SBendtrans-133-179.517475.80000108Q58 I59 V271 Q299 I301 A321T56-Q58 PolarHBondContact O-N 3.33Å; T56-Q58 VanDerWaalsContact O-N 3.12Å; T56-Q58 PolarHBondContact OG1-N 3.21Å; T56-I59 PolarHBondContact N-O 3.15Å; T56-I59 PolarHBondContact OG1-N 2.67Å; T56-V271 HydrophobicContact CG2-CG2 3.94Å; T56-Q299 HydrophobicContact CG2-CB 4.01Å; T56-Q299 PolarHBondContact OG1-OE1 3.34Å; T56-I301 HydrophobicContact CG2-CD1 4.47Å; T56-I301 HydrophobicContact CG2-CG1 4.27Å; T56-A321 HydrophobicContact CG2-CB 4.26Å
57K92.2Very high93.9Very high101 Ų10143 Ų4344%0.43922%0.215SC..SBendtrans-53.7-29.8174.1-72176.2-177.9169.80113.6D320 V360K57-D320 PolarHBondContact N-O 3.01Å; K57-V360 VanDerWaalsContact CE-CG2 3.48Å
58Q94.1Very high94Very high138 Ų13835 Ų3565%0.64518%0.178SC*.SBendtrans-112.6-33.2-177-59-17215.200113.9T56T56-Q58 PolarHBondContact O-N 3.33Å; T56-Q58 VanDerWaalsContact O-N 3.12Å; T56-Q58 PolarHBondContact OG1-N 3.21Å
59I94.4Very high94.1Very high22 Ų2229.1 Ų29.111%0.11315%0.151CC..  trans-88.2126.8-175.3-64.3171.3000109.5A54 L55 T56 L246 D270 V271 Q299A54-I59 CarbonylContact C-O 3.57Å; L55-I59 HydrophobicContact CB-CB 4.37Å; L55-I59 HydrophobicContact CB-CG2 4.1Å; L55-I59 HydrophobicContact CD2-CG2 4.05Å; L55-I59 PolarHBondContact N-O 3.39Å; T56-I59 PolarHBondContact N-O 3.15Å; T56-I59 PolarHBondContact OG1-N 2.67Å; I59-L246 HydrophobicContact CG2-CD1 3.71Å; I59-D270 HydrophobicContact CD1-CB 4.36Å; I59-V271 HydrophobicContact CD1-CB 4Å; I59-Q299 HydrophobicContact CD1-CB 4Å; I59-Q299 HydrophobicContact CD1-CG 3.71Å; I59-Q299 HydrophobicContact CG1-CG 4.04Å
60T93.6Very high93.9Very high78 Ų7829.6 Ų29.648%0.47915%0.153SC..EExtended strand (participates in β ladder)trans-119.3141174.6-61.70000110.3T52 S53T52-T60 HydrophobicContact CG2-CG2 3.4Å; T52-T60 VanDerWaalsContact CG2-CG2 3.4Å; S53-T60 WeakPolarHBondContact O-CA 3.17Å; S53-T60 WeakPolarHBondContact O-CG2 3.36Å
61M93.4Very high93.6Very high2 Ų226.6 Ų26.61%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-117.5155.5180-60.6-171.6-53.300110.5T52 S53 L55 V66 I88 T384T52-M61 CarbonylContact C-O 3.57Å; T52-M61 WeakPolarHBondContact CA-O 3.46Å; S53-M61 PolarHBondContact N-O 3.41Å; S53-M61 PolarHBondContact O-N 2.97Å; L55-M61 HydrophobicContact CB-CE 4.15Å; L55-M61 HydrophobicContact CB-CG 4.23Å; L55-M61 HydrophobicContact CB-SD 4.24Å; L55-M61 HydrophobicContact CD1-CE 3.92Å; L55-M61 HydrophobicContact CD1-SD 4.32Å; L55-M61 HydrophobicContact CD2-SD 4.12Å; L55-M61 HydrophobicContact CG-CE 4.48Å; L55-M61 HydrophobicContact CG-SD 4.46Å; M61-V66 HydrophobicContact CE-CG2 3.76Å; M61-I88 HydrophobicContact CE-CG2 4.34Å; M61-I88 HydrophobicContact SD-CB 3.72Å; M61-I88 HydrophobicContact SD-CG2 3.42Å; M61-I88 WeakPolarHBondContact SD-CG2 3.32Å; M61-T384 HydrophobicContact CE-CG2 3.88Å
62K91.9Very high93.5Very high108 Ų10827 Ų2747%0.4714%0.14SC..SBendtrans-83-23179-67.9-59-174-179.50113.2L51 G86 L236L51-K62 CarbonylContact C-O 3.59Å; K62-G86 PolarHBondContact N-O 2.84Å; K62-L236 HydrophobicContact CB-CB 4.29Å; K62-L236 HydrophobicContact CB-CD2 4.45Å
63T93.5Very high93.5Very high0 Ų025.6 Ų25.60%013%0.131CC..SBendtrans-130.9149176.273.50000109.9F65 T85 G86 G87 L236 L463T63-F65 PolarHBondContact O-N 3.01Å; T63-F65 VanDerWaalsContact O-N 3.11Å; T63-T85 WeakPolarHBondContact CG2-O 3.43Å; T63-T85 PolarHBondContact OG1-O 2.92Å; T63-G86 PolarHBondContact N-O 3.34Å; T63-G86 PolarHBondContact OG1-O 3.37Å; T63-G87 PolarHBondContact OG1-N 2.81Å; T63-L236 HydrophobicContact CG2-CD1 4.42Å; T63-L463 HydrophobicContact CG2-CD1 3.51Å; T63-L463 HydrophobicContact CG2-CD2 4.48Å
64P93.9Very high93.8Very high0 Ų025.5 Ų25.50%013%0.13CC..  trans-88.836-172.237.2-38.5000112.8L378 T384 A385 V386 L478P64-L378 HydrophobicContact CB-CD1 4.3Å; P64-L378 HydrophobicContact CB-CD2 3.97Å; P64-L378 HydrophobicContact CG-CD1 3.91Å; P64-L378 HydrophobicContact CG-CD2 4.49Å; P64-T384 CarbonylContact C-O 3.56Å; P64-T384 VanDerWaalsContact C-O 3.22Å; P64-T384 WeakPolarHBondContact CA-O 3.34Å; P64-T384 VanDerWaalsContact CB-O 3.3Å; P64-T384 WeakPolarHBondContact CB-O 3.29Å; P64-A385 WeakPolarHBondContact O-CA 3.48Å; P64-V386 PolarHBondContact O-N 3.07Å; P64-L478 HydrophobicContact CB-CD1 3.98Å; P64-L478 HydrophobicContact CG-CD1 4.05Å
65F94.6Very high94Very high0 Ų026.4 Ų26.40%013%0.128CC..EExtended strand (participates in β ladder)trans-114.7127.6-169.9-56.4-46.7000111.8T63 M82 G87 I88 I374 M388 V459 L462 L463T63-F65 PolarHBondContact O-N 3.01Å; T63-F65 VanDerWaalsContact O-N 3.11Å; F65-M82 HydrophobicContact CB-CE 3.76Å; F65-M82 WeakPolarHBondContact O-CE 3.36Å; F65-G87 WeakPolarHBondContact O-CA 3.3Å; F65-I88 PolarHBondContact O-N 3.37Å; F65-I374 HydrophobicContact CE1-CD1 4.05Å; F65-I374 HydrophobicContact CE1-CG2 4Å; F65-M388 HydrophobicContact CB-CE 3.66Å; F65-M388 HydrophobicContact CD1-CE 3.69Å; F65-M388 HydrophobicContact CG-CE 3.93Å; F65-V459 HydrophobicContact CD2-CG1 3.82Å; F65-V459 HydrophobicContact CE2-CG1 4.24Å; F65-L462 HydrophobicContact CE1-CB 4.18Å; F65-L462 HydrophobicContact CE2-CB 4.14Å; F65-L462 HydrophobicContact CZ-CB 3.75Å; F65-L463 HydrophobicContact CE2-CB 4.06Å; F65-L463 HydrophobicContact CE2-CD1 3.97Å
66V95.5Very high94Very high0 Ų026.6 Ų26.60%013%0.13CC..EExtended strand (participates in β ladder)trans-133.3133.2-177.6178.90000110.4L55 M61 I88 F90 A385 V386 M387 M388L55-V66 HydrophobicContact CD1-CG2 4.19Å; M61-V66 HydrophobicContact CE-CG2 3.76Å; V66-I88 WeakPolarHBondContact CA-O 3.45Å; V66-I88 HydrophobicContact CB-CG2 4.44Å; V66-I88 HydrophobicContact CG1-CG2 4.09Å; V66-I88 HydrophobicContact CG2-CG2 3.76Å; V66-F90 HydrophobicContact CG1-CD2 3.41Å; V66-F90 VanDerWaalsContact CG1-CD2 3.41Å; V66-F90 HydrophobicContact CG1-CE2 3.4Å; V66-A385 HydrophobicContact CB-CB 3.88Å; V66-A385 HydrophobicContact CG2-CB 3.18Å; V66-V386 PolarHBondContact N-O 2.9Å; V66-M387 HydrophobicContact CG1-CE 3.77Å; V66-M387 HydrophobicContact CG1-CG 4.42Å; V66-M387 CarbonylContact O-C 3.5Å; V66-M387 WeakPolarHBondContact O-CA 3.48Å; V66-M388 PolarHBondContact O-N 3.4Å
67S95.7Very high94Very high0 Ų031.9 Ų31.90%016%0.158CC..EExtended strand (participates in β ladder)trans-85.8138.3174.274.10000111.4T74 I88 G89S67-T74 VanDerWaalsContact CB-OG1 3.23Å; S67-T74 WeakPolarHBondContact CB-OG1 3.45Å; S67-T74 WeakPolarHBondContact OG-CG2 3.06Å; S67-T74 PolarHBondContact OG-OG1 2.99Å; S67-I88 PolarHBondContact N-O 3.4Å; S67-I88 VanDerWaalsContact N-O 3.15Å; S67-G89 WeakPolarHBondContact OG-CA 3.44Å
68S94.9Very high94.2Very high4 Ų427.1 Ų27.13%0.02814%0.137CC..  trans-69.5143.1-177.6-173.40000112.3M70 T74 M388S68-M70 PolarHBondContact O-N 2.76Å; S68-T74 WeakPolarHBondContact O-CB 3.31Å; S68-T74 PolarHBondContact O-OG1 2.9Å; S68-M388 PolarHBondContact N-O 3.02Å; S68-M388 VanDerWaalsContact N-O 3.1Å
69P95.1Very high94.3Very high0 Ų020.5 Ų20.50%011%0.107CC..SBendtrans-75.269.2177.731.7-36.1000112.6F90 H92 A250 V273 M387P69-F90 VanDerWaalsContact CA-O 3.28Å; P69-F90 WeakPolarHBondContact CA-O 3.39Å; P69-F90 HydrophobicContact CB-CB 3.89Å; P69-F90 HydrophobicContact CG-CB 4.4Å; P69-H92 WeakPolarHBondContact O-CB 3.24Å; P69-A250 HydrophobicContact CB-CB 3.51Å; P69-A250 HydrophobicContact CG-CB 4.09Å; P69-V273 HydrophobicContact CG-CG1 4.27Å; P69-M387 VanDerWaalsContact CD-SD 3.57Å
70M92.9Very high94.4Very high13 Ų1320.1 Ų20.16%0.06410%0.104CC..  trans-124.9146.1179.9-62.3172.960.600110.9S68 T72 V73 T74 I331 Y413 R414 M416S68-M70 PolarHBondContact O-N 2.76Å; M70-T72 PolarHBondContact O-N 3.26Å; M70-T72 VanDerWaalsContact O-N 3.14Å; M70-V73 HydrophobicContact CB-CB 4.13Å; M70-V73 HydrophobicContact CB-CG2 3.87Å; M70-V73 PolarHBondContact O-N 2.91Å; M70-V73 HydrophobicContact SD-CG2 4.18Å; M70-T74 PolarHBondContact O-N 3.34Å; M70-I331 HydrophobicContact CE-CD1 3.47Å; M70-I331 VanDerWaalsContact CE-CD1 3.47Å; M70-Y413 HydrophobicContact CE-CD2 4.37Å; M70-Y413 HydrophobicContact CE-CE2 3.5Å; M70-Y413 HydrophobicContact SD-CE2 4.23Å; M70-R414 WeakPolarHBondContact CE-O 3.23Å; M70-M416 HydrophobicContact CB-SD 4.13Å; M70-M416 HydrophobicContact CG-CG 4.1Å; M70-M416 HydrophobicContact CG-SD 4.18Å
71D89.8Confident94.5Very high19 Ų1916.5 Ų16.510%0.1028%0.083CC..THydrogen-bonded Turntrans-66-12.2179.864.92.7000114.6N94 P399 R414D71-N94 HydrophobicContact CB-CB 4.31Å; D71-N94 PolarHBondContact OD2-ND2 3.2Å; D71-P399 WeakPolarHBondContact O-CG 3.24Å; D71-R414 IonicContact OD1-NE 3.1Å; D71-R414 PolarHBondContact OD1-NE 2.96Å; D71-R414 IonicContact OD2-CZ 2.93Å; D71-R414 IonicContact OD2-NE 3.65Å; D71-R414 PolarHBondContact OD2-NE 3.44Å; D71-R414 IonicContact OD2-NH2 2.65Å; D71-R414 PolarHBondContact OD2-NH2 3.19Å
72T90.6Very high94.6Very high14 Ų1416.4 Ų16.49%0.0868%0.082CC..THydrogen-bonded Turntrans-106.38.2174.745.40000112.8M70 Y413 R414M70-T72 PolarHBondContact O-N 3.26Å; M70-T72 VanDerWaalsContact O-N 3.14Å; T72-Y413 WeakPolarHBondContact OG1-CD2 3.34Å; T72-R414 HydrophobicContact CG2-CG 3.89Å
73V93.8Very high94.8Very high0 Ų011.3 Ų11.30%06%0.06CC..THydrogen-bonded Turntrans-130.7-53.6-176.6-174.20000111.8M70 M78 L392 A393 P399 Y413M70-V73 HydrophobicContact CB-CB 4.13Å; M70-V73 HydrophobicContact CB-CG2 3.87Å; M70-V73 PolarHBondContact O-N 2.91Å; M70-V73 HydrophobicContact SD-CG2 4.18Å; V73-M78 WeakPolarHBondContact O-CB 3.47Å; V73-M78 VanDerWaalsContact O-CG 3.29Å; V73-M78 WeakPolarHBondContact O-CG 3.47Å; V73-L392 HydrophobicContact CG1-CB 4.15Å; V73-A393 HydrophobicContact CG2-CB 4.01Å; V73-P399 WeakPolarHBondContact O-CD 3.2Å; V73-Y413 HydrophobicContact CG2-CD2 4.44Å; V73-Y413 HydrophobicContact CG2-CE2 3.8Å
74T96.9Very high94.9Very high0 Ų011.5 Ų11.50%06%0.061CC..  trans-128.5105-164.8-480000114.2S67 S68 M70 M78 A79 F90 I91 H92S67-T74 VanDerWaalsContact CB-OG1 3.23Å; S67-T74 WeakPolarHBondContact CB-OG1 3.45Å; S67-T74 WeakPolarHBondContact OG-CG2 3.06Å; S67-T74 PolarHBondContact OG-OG1 2.99Å; S68-T74 WeakPolarHBondContact O-CB 3.31Å; S68-T74 PolarHBondContact O-OG1 2.9Å; M70-T74 PolarHBondContact O-N 3.34Å; T74-M78 HydrophobicContact CG2-CB 4.28Å; T74-M78 HydrophobicContact CG2-CG 4.05Å; T74-A79 HydrophobicContact CG2-CB 4.17Å; T74-F90 WeakPolarHBondContact CB-O 3.43Å; T74-F90 WeakPolarHBondContact CG2-O 3.27Å; T74-I91 HydrophobicContact CG2-CD1 4.31Å; T74-H92 PolarHBondContact O-CD2 2.93Å
75E96.3Very high94.9Very high56 Ų5612.3 Ų12.326%0.2627%0.066SC..SBendtrans-118.5-169.4159.4-72.1-173.5161.100109.4N77 M78 A79 H92 P399E75-N77 VanDerWaalsContact C-N 3.29Å; E75-N77 PolarHBondContact O-N 2.84Å; E75-M78 PolarHBondContact O-N 3.06Å; E75-A79 WeakPolarHBondContact O-CB 3.39Å; E75-A79 PolarHBondContact O-N 2.82Å; E75-H92 IonicContact OE1-NE2 3.33Å; E75-P399 HydrophobicContact CB-CB 4.5Å; E75-P399 HydrophobicContact CG-CB 3.96Å; E75-P399 HydrophobicContact CG-CG 4.13Å
76A96Very high94.8Very high4 Ų412.3 Ų12.33%0.0337%0.066CC..Hα-helixtrans-54.2-41.1-175.200000113.4A79 I80 E103 K106 V107A76-A79 PolarHBondContact O-N 2.93Å; A76-I80 HydrophobicContact CB-CD1 4.4Å; A76-I80 VanDerWaalsContact O-CB 3.31Å; A76-I80 WeakPolarHBondContact O-CB 3.17Å; A76-I80 WeakPolarHBondContact O-CD1 3.44Å; A76-I80 WeakPolarHBondContact O-CG1 3.37Å; A76-I80 PolarHBondContact O-N 2.9Å; A76-E103 WeakPolarHBondContact CA-OE2 3.27Å; A76-E103 HydrophobicContact CB-CB 4.49Å; A76-E103 WeakPolarHBondContact CB-OE2 3.37Å; A76-E103 PolarHBondContact N-OE2 2.97Å; A76-K106 HydrophobicContact CB-CB 3.97Å; A76-K106 HydrophobicContact CB-CD 4.13Å; A76-V107 HydrophobicContact CB-CG2 4.01Å
77N95.1Very high94.8Very high111 Ų11112.3 Ų12.359%0.5947%0.066SC*.Hα-helixtrans-61.9-49-178.4-69.8-21.7000112.2E75 A81E75-N77 VanDerWaalsContact C-N 3.29Å; E75-N77 PolarHBondContact O-N 2.84Å; N77-A81 WeakPolarHBondContact O-CB 3.26Å; N77-A81 PolarHBondContact O-N 3.18Å
78M96.4Very high94.8Very high0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-61.6-46.9174.5175.262.167.500110.9V73 T74 E75 I80 A81 M82 L392 T395 E397 A398 I455V73-M78 WeakPolarHBondContact O-CB 3.47Å; V73-M78 VanDerWaalsContact O-CG 3.29Å; V73-M78 WeakPolarHBondContact O-CG 3.47Å; T74-M78 HydrophobicContact CG2-CB 4.28Å; T74-M78 HydrophobicContact CG2-CG 4.05Å; E75-M78 PolarHBondContact O-N 3.06Å; M78-I80 PolarHBondContact O-N 3.19Å; M78-A81 PolarHBondContact O-N 3.22Å; M78-M82 HydrophobicContact CG-CG 4.17Å; M78-M82 WeakPolarHBondContact O-CB 3.43Å; M78-M82 VanDerWaalsContact O-CG 3.25Å; M78-M82 WeakPolarHBondContact O-CG 3.48Å; M78-M82 PolarHBondContact O-N 3.45Å; M78-M82 HydrophobicContact SD-CG 3.64Å; M78-M82 HydrophobicContact SD-SD 4.18Å; M78-L392 HydrophobicContact CE-CB 4.04Å; M78-L392 HydrophobicContact SD-CD1 4.34Å; M78-T395 WeakPolarHBondContact CE-OG1 3.47Å; M78-E397 HydrophobicContact CE-CB 4.4Å; M78-A398 HydrophobicContact CE-CB 4.02Å; M78-I455 HydrophobicContact CE-CG2 4.01Å; M78-I455 HydrophobicContact SD-CD1 3.97Å; M78-I455 HydrophobicContact SD-CG2 4.21Å
79A97.1Very high94.9Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-63.3-40.9-178.300000112.7T74 E75 A76 A83 I91 V107T74-A79 HydrophobicContact CG2-CB 4.17Å; E75-A79 WeakPolarHBondContact O-CB 3.39Å; E75-A79 PolarHBondContact O-N 2.82Å; A76-A79 PolarHBondContact O-N 2.93Å; A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.26Å; A79-A83 PolarHBondContact O-N 2.94Å; A79-I91 HydrophobicContact CB-CD1 3.71Å; A79-V107 HydrophobicContact CB-CG2 3.86Å
80I96Very high95Very high13 Ų1312.1 Ų12.17%0.0677%0.065CC..Hα-helixtrans-60.5-51.7173.7-72.9160.7000110A76 M78 M82 A83 L84 V107 Y110 L245A76-I80 HydrophobicContact CB-CD1 4.4Å; A76-I80 VanDerWaalsContact O-CB 3.31Å; A76-I80 WeakPolarHBondContact O-CB 3.17Å; A76-I80 WeakPolarHBondContact O-CD1 3.44Å; A76-I80 WeakPolarHBondContact O-CG1 3.37Å; A76-I80 PolarHBondContact O-N 2.9Å; M78-I80 PolarHBondContact O-N 3.19Å; I80-M82 PolarHBondContact O-N 3.43Å; I80-A83 PolarHBondContact O-N 3.2Å; I80-L84 HydrophobicContact CG2-CD1 3.76Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CB 3.41Å; I80-L84 VanDerWaalsContact O-CG 3.28Å; I80-L84 WeakPolarHBondContact O-CG 3.32Å; I80-L84 PolarHBondContact O-N 3.02Å; I80-V107 HydrophobicContact CD1-CG2 4.5Å; I80-V107 HydrophobicContact CG1-CB 4.14Å; I80-V107 HydrophobicContact CG1-CG1 4Å; I80-V107 HydrophobicContact CG1-CG2 3.98Å; I80-Y110 HydrophobicContact CD1-CD2 3.7Å; I80-Y110 HydrophobicContact CD1-CE2 4.43Å; I80-Y110 HydrophobicContact CD1-CG 3.92Å; I80-Y110 HydrophobicContact CG1-CD2 4.36Å; I80-Y110 HydrophobicContact CG1-CG 4.11Å; I80-Y110 HydrophobicContact CG2-CD1 3.6Å; I80-Y110 HydrophobicContact CG2-CD2 4.01Å; I80-Y110 HydrophobicContact CG2-CE1 3.73Å; I80-Y110 HydrophobicContact CG2-CE2 4.11Å; I80-Y110 HydrophobicContact CG2-CG 3.74Å; I80-L245 HydrophobicContact CG2-CD1 4.11Å
81A95.6Very high95.3Very high3 Ų311.5 Ų11.53%0.0256%0.062CC..Hα-helixtrans-70.2-33.7-173.500000111.9N77 M78 T85 E397 I455N77-A81 WeakPolarHBondContact O-CB 3.26Å; N77-A81 PolarHBondContact O-N 3.18Å; M78-A81 PolarHBondContact O-N 3.22Å; A81-T85 WeakPolarHBondContact O-CG2 3.49Å; A81-T85 PolarHBondContact O-N 3.3Å; A81-T85 VanDerWaalsContact O-N 3.09Å; A81-T85 PolarHBondContact O-OG1 3.18Å; A81-E397 HydrophobicContact CB-CG 4.13Å; A81-I455 VanDerWaalsContact C-CD1 3.5Å; A81-I455 HydrophobicContact CB-CD1 3.13Å; A81-I455 HydrophobicContact CB-CG1 3.64Å
82M95.9Very high95.6Very high0 Ų010.9 Ų10.90%06%0.058CC..Hα-helixtrans-64.6-45.4170.6-73.5-62.3-60.700111.6F65 M78 I80 L84 T85 G86 G87 L392 I455 V459F65-M82 HydrophobicContact CB-CE 3.76Å; F65-M82 WeakPolarHBondContact O-CE 3.36Å; M78-M82 HydrophobicContact CG-CG 4.17Å; M78-M82 WeakPolarHBondContact O-CB 3.43Å; M78-M82 VanDerWaalsContact O-CG 3.25Å; M78-M82 WeakPolarHBondContact O-CG 3.48Å; M78-M82 PolarHBondContact O-N 3.45Å; M78-M82 HydrophobicContact SD-CG 3.64Å; M78-M82 HydrophobicContact SD-SD 4.18Å; I80-M82 PolarHBondContact O-N 3.43Å; M82-L84 PolarHBondContact O-N 3.31Å; M82-T85 WeakPolarHBondContact CA-OG1 3.45Å; M82-T85 CarbonylContact O-C 3.56Å; M82-T85 PolarHBondContact O-N 2.84Å; M82-T85 PolarHBondContact O-OG1 3.21Å; M82-T85 VanDerWaalsContact O-OG1 3.06Å; M82-G86 PolarHBondContact O-N 2.98Å; M82-G87 CarbonylContact O-C 3.52Å; M82-G87 WeakPolarHBondContact O-CA 3.45Å; M82-G87 PolarHBondContact O-N 2.79Å; M82-L392 HydrophobicContact CE-CD1 4.27Å; M82-L392 HydrophobicContact SD-CD1 3.91Å; M82-I455 HydrophobicContact CG-CD1 4.19Å; M82-I455 HydrophobicContact SD-CD1 4.16Å; M82-V459 HydrophobicContact SD-CG2 4.15Å
83A95.8Very high95.7Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-63.8-40.9177.200000111.9A79 I80 T85 G86 G87 A237 S238 L245A79-A83 VanDerWaalsContact O-CB 3.3Å; A79-A83 WeakPolarHBondContact O-CB 3.26Å; A79-A83 PolarHBondContact O-N 2.94Å; I80-A83 PolarHBondContact O-N 3.2Å; A83-T85 VanDerWaalsContact C-N 3.28Å; A83-T85 PolarHBondContact O-N 3.04Å; A83-G86 PolarHBondContact O-N 2.94Å; A83-G86 VanDerWaalsContact O-N 3.11Å; A83-G87 WeakPolarHBondContact CA-O 3.49Å; A83-A237 CarbonylContact O-C 3.58Å; A83-A237 VanDerWaalsContact O-CA 3.3Å; A83-A237 WeakPolarHBondContact O-CA 3.34Å; A83-S238 PolarHBondContact O-N 3.2Å; A83-L245 HydrophobicContact CB-CB 3.91Å; A83-L245 HydrophobicContact CB-CD1 4.33Å; A83-L245 HydrophobicContact CB-CD2 4.08Å; A83-L245 HydrophobicContact CB-CG 4.32Å
84L94.6Very high95.6Very high4 Ų410.8 Ų10.82%0.0216%0.057CC..Hα-helixtrans-61.7-35175-73.7171.2000112.6I80 M82 G86 Y110 F234 A237 L245I80-L84 HydrophobicContact CG2-CD1 3.76Å; I80-L84 HydrophobicContact CG2-CG 4.31Å; I80-L84 WeakPolarHBondContact O-CB 3.41Å; I80-L84 VanDerWaalsContact O-CG 3.28Å; I80-L84 WeakPolarHBondContact O-CG 3.32Å; I80-L84 PolarHBondContact O-N 3.02Å; M82-L84 PolarHBondContact O-N 3.31Å; L84-G86 PolarHBondContact O-N 3.4Å; L84-Y110 HydrophobicContact CD1-CE1 3.97Å; L84-F234 HydrophobicContact CB-CB 4.38Å; L84-F234 HydrophobicContact CB-CD1 3.98Å; L84-F234 HydrophobicContact CB-CD2 4.35Å; L84-F234 HydrophobicContact CB-CE1 4.35Å; L84-F234 HydrophobicContact CB-CG 3.97Å; L84-F234 HydrophobicContact CD1-CD2 4.34Å; L84-F234 HydrophobicContact CD1-CE2 4.19Å; L84-F234 HydrophobicContact CD1-CZ 4.48Å; L84-F234 HydrophobicContact CD2-CB 4.23Å; L84-F234 HydrophobicContact CD2-CD2 3.94Å; L84-F234 HydrophobicContact CD2-CG 4.13Å; L84-F234 HydrophobicContact CG-CD2 4.45Å; L84-F234 WeakPolarHBondContact O-CB 3.24Å; L84-A237 WeakPolarHBondContact O-CA 3.43Å; L84-A237 WeakPolarHBondContact O-CB 3.33Å; L84-L245 HydrophobicContact CD2-CD1 4.22Å; L84-L245 HydrophobicContact CD2-CD2 4.02Å; L84-L245 HydrophobicContact CG-CD1 4.14Å; L84-L245 HydrophobicContact CG-CD2 4.41Å
85T93.4Very high95.3Very high17 Ų1712.1 Ų12.110%0.1047%0.066CC..THydrogen-bonded Turntrans-86.210.1177.752.80000113.4T63 A81 M82 A83 V459T63-T85 WeakPolarHBondContact CG2-O 3.43Å; T63-T85 PolarHBondContact OG1-O 2.92Å; A81-T85 WeakPolarHBondContact O-CG2 3.49Å; A81-T85 PolarHBondContact O-N 3.3Å; A81-T85 VanDerWaalsContact O-N 3.09Å; A81-T85 PolarHBondContact O-OG1 3.18Å; M82-T85 WeakPolarHBondContact CA-OG1 3.45Å; M82-T85 CarbonylContact O-C 3.56Å; M82-T85 PolarHBondContact O-N 2.84Å; M82-T85 PolarHBondContact O-OG1 3.21Å; M82-T85 VanDerWaalsContact O-OG1 3.06Å; A83-T85 VanDerWaalsContact C-N 3.28Å; A83-T85 PolarHBondContact O-N 3.04Å; T85-V459 HydrophobicContact CG2-CB 4.42Å; T85-V459 HydrophobicContact CG2-CG1 4.43Å
86G93.4Very high95.2Very high0 Ų013.3 Ų13.30%08%0.077CC..THydrogen-bonded Turntrans86.67.617300000116K62 T63 M82 A83 L84 L236 S238K62-G86 PolarHBondContact N-O 2.84Å; T63-G86 PolarHBondContact N-O 3.34Å; T63-G86 PolarHBondContact OG1-O 3.37Å; M82-G86 PolarHBondContact O-N 2.98Å; A83-G86 PolarHBondContact O-N 2.94Å; A83-G86 VanDerWaalsContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.4Å; G86-L236 WeakPolarHBondContact CA-O 3.48Å; G86-S238 WeakPolarHBondContact CA-OG 3.36Å; G86-S238 PolarHBondContact O-OG 3.12Å
87G95.1Very high95.2Very high0 Ų014.4 Ų14.40%08%0.084CC..SBendtrans-97.7-152.7169.800000111.8T63 F65 M82 A83 S238T63-G87 PolarHBondContact OG1-N 2.81Å; F65-G87 WeakPolarHBondContact O-CA 3.3Å; M82-G87 CarbonylContact O-C 3.52Å; M82-G87 WeakPolarHBondContact O-CA 3.45Å; M82-G87 PolarHBondContact O-N 2.79Å; A83-G87 WeakPolarHBondContact CA-O 3.49Å; G87-S238 WeakPolarHBondContact O-CB 3.31Å; G87-S238 PolarHBondContact O-OG 3.4Å
88I96.3Very high95.2Very high0 Ų013.4 Ų13.40%08%0.076CC..EExtended strand (participates in β ladder)trans-148.5151171.1-167.2171.9000110.1L55 M61 F65 V66 S67 F90 L246 V271L55-I88 HydrophobicContact CD1-CG2 4.38Å; L55-I88 HydrophobicContact CD2-CD1 3.95Å; L55-I88 HydrophobicContact CD2-CG2 3.93Å; M61-I88 HydrophobicContact CE-CG2 4.34Å; M61-I88 HydrophobicContact SD-CB 3.72Å; M61-I88 HydrophobicContact SD-CG2 3.42Å; M61-I88 WeakPolarHBondContact SD-CG2 3.32Å; F65-I88 PolarHBondContact O-N 3.37Å; V66-I88 WeakPolarHBondContact CA-O 3.45Å; V66-I88 HydrophobicContact CB-CG2 4.44Å; V66-I88 HydrophobicContact CG1-CG2 4.09Å; V66-I88 HydrophobicContact CG2-CG2 3.76Å; S67-I88 PolarHBondContact N-O 3.4Å; S67-I88 VanDerWaalsContact N-O 3.15Å; I88-F90 HydrophobicContact CG2-CD2 4.47Å; I88-F90 HydrophobicContact CG2-CE2 3.81Å; I88-L246 HydrophobicContact CD1-CB 3.91Å; I88-L246 HydrophobicContact CG1-CB 4.26Å; I88-V271 HydrophobicContact CD1-CG1 3.67Å
89G96.8Very high95.2Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-112.3142.8169.200000113S67 G248S67-G89 WeakPolarHBondContact OG-CA 3.44Å; G89-G248 PolarHBondContact O-N 3.28Å
90F97.7Very high95.2Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-102.8113.7173.4-73.3-94000111.3L55 V66 P69 T74 I88 H92 G248 V271 V273 I301 M387L55-F90 HydrophobicContact CD2-CZ 4.46Å; V66-F90 HydrophobicContact CG1-CD2 3.41Å; V66-F90 VanDerWaalsContact CG1-CD2 3.41Å; V66-F90 HydrophobicContact CG1-CE2 3.4Å; P69-F90 VanDerWaalsContact CA-O 3.28Å; P69-F90 WeakPolarHBondContact CA-O 3.39Å; P69-F90 HydrophobicContact CB-CB 3.89Å; P69-F90 HydrophobicContact CG-CB 4.4Å; T74-F90 WeakPolarHBondContact CB-O 3.43Å; T74-F90 WeakPolarHBondContact CG2-O 3.27Å; I88-F90 HydrophobicContact CG2-CD2 4.47Å; I88-F90 HydrophobicContact CG2-CE2 3.81Å; F90-H92 PolarHBondContact O-N 3.48Å; F90-G248 CarbonylContact C-O 3.55Å; F90-G248 WeakPolarHBondContact CA-O 3.45Å; F90-V271 HydrophobicContact CE1-CG1 3.82Å; F90-V271 HydrophobicContact CE1-CG2 4.31Å; F90-V271 HydrophobicContact CZ-CG1 3.82Å; F90-V271 HydrophobicContact CZ-CG2 4.41Å; F90-V273 HydrophobicContact CD1-CB 4.03Å; F90-V273 HydrophobicContact CD1-CG1 3.56Å; F90-V273 HydrophobicContact CE1-CB 4.02Å; F90-V273 HydrophobicContact CE1-CG1 4.08Å; F90-V273 HydrophobicContact CG-CG1 4.23Å; F90-I301 HydrophobicContact CE1-CD1 3.94Å; F90-I301 HydrophobicContact CE2-CD1 4.48Å; F90-I301 HydrophobicContact CZ-CD1 3.5Å; F90-I301 VanDerWaalsContact CZ-CD1 3.5Å; F90-M387 HydrophobicContact CD2-CE 4.02Å; F90-M387 HydrophobicContact CE2-CE 4.32Å
91I98Very high95.2Very high0 Ų016.7 Ų16.70%09%0.09CC..EExtended strand (participates in β ladder)trans-67.1128.7176-49.5-61000109.6T74 A79 Q100 E103 V104 G248 A250T74-I91 HydrophobicContact CG2-CD1 4.31Å; A79-I91 HydrophobicContact CB-CD1 3.71Å; I91-Q100 HydrophobicContact CB-CG 4.33Å; I91-Q100 HydrophobicContact CG2-CG 3.77Å; I91-Q100 PolarHBondContact O-NE2 3.38Å; I91-Q100 VanDerWaalsContact O-NE2 3.16Å; I91-E103 HydrophobicContact CD1-CB 4.36Å; I91-E103 HydrophobicContact CG1-CB 4.43Å; I91-E103 HydrophobicContact CG2-CB 3.99Å; I91-E103 HydrophobicContact CG2-CG 4.49Å; I91-V104 HydrophobicContact CG1-CG2 4.22Å; I91-G248 PolarHBondContact N-O 3.03Å; I91-A250 PolarHBondContact O-N 2.81Å
92H96.3Very high95.2Very high6 Ų619.6 Ų19.63%0.02811%0.105CC..  trans-65.1158.3178.171.592.7000112.6P69 T74 E75 F90 N94 Q100P69-H92 WeakPolarHBondContact O-CB 3.24Å; T74-H92 PolarHBondContact O-CD2 2.93Å; E75-H92 IonicContact OE1-NE2 3.33Å; F90-H92 PolarHBondContact O-N 3.48Å; H92-N94 WeakPolarHBondContact ND1-CA 3.5Å; H92-N94 WeakPolarHBondContact ND1-CB 3.43Å; H92-N94 PolarHBondContact ND1-N 2.8Å; H92-Q100 PolarHBondContact O-NE2 3.17Å; H92-Q100 VanDerWaalsContact O-NE2 3.08Å
93H94.2Very high95.2Very high5 Ų520 Ų202%0.02311%0.107CC..SBendtrans-100.810.1176.669.8105.5000113.9C95 A250 D275 G427H93-C95 PolarHBondContact O-N 3.08Å; H93-A250 WeakPolarHBondContact CB-O 3.37Å; H93-D275 IonicContact NE2-OD2 2.75Å; H93-G427 PolarHBondContact CE1-O 3.42Å
94N90.2Very high95.2Very high8 Ų820 Ų204%0.04311%0.107CC..SBendtrans-75.145.3176.7-139.837.2000113.6D71 H92 M416 N425 S428D71-N94 HydrophobicContact CB-CB 4.31Å; D71-N94 PolarHBondContact OD2-ND2 3.2Å; H92-N94 WeakPolarHBondContact ND1-CA 3.5Å; H92-N94 WeakPolarHBondContact ND1-CB 3.43Å; H92-N94 PolarHBondContact ND1-N 2.8Å; N94-M416 HydrophobicContact CB-CE 3.8Å; N94-N425 HydrophobicContact CB-CB 4.47Å; N94-N425 VanDerWaalsContact CG-CG 3.44Å; N94-N425 WeakPolarHBondContact ND2-CB 3.35Å; N94-N425 PolarHBondContact ND2-ND2 2.84Å; N94-N425 PolarHBondContact O-OD1 3.25Å; N94-N425 WeakPolarHBondContact OD1-CB 3.4Å; N94-S428 VanDerWaalsContact CG-OG 3.22Å; N94-S428 PolarHBondContact ND2-OG 3.39Å; N94-S428 VanDerWaalsContact ND2-OG 3.16Å; N94-S428 PolarHBondContact OD1-N 3.22Å; N94-S428 PolarHBondContact OD1-OG 2.92Å
95C91.8Very high95.2Very high28 Ų2823.9 Ų23.919%0.18912%0.121CC..SBendtrans-162.4175.7-172.755.80000109.4H93 F99 R260H93-C95 PolarHBondContact O-N 3.08Å; C95-F99 HydrophobicContact CB-CB 4.3Å; C95-F99 HydrophobicContact CB-CD1 3.56Å; C95-F99 HydrophobicContact CB-CE1 4.21Å; C95-F99 HydrophobicContact CB-CG 4.19Å; C95-R260 PolarHBondContact O-NH1 3.22Å; C95-R260 PolarHBondContact O-NH2 2.89Å
96T94.6Very high95.1Very high80 Ų8027.7 Ų27.749%0.49114%0.137SC..  trans-66.8152.7175.164.40000111.4E98 F99 Q100 R260T96-E98 PolarHBondContact O-N 3.01Å; T96-F99 PolarHBondContact O-N 3.09Å; T96-F99 WeakPolarHBondContact OG1-CB 3.36Å; T96-F99 PolarHBondContact OG1-N 3.23Å; T96-Q100 PolarHBondContact O-N 2.59Å; T96-Q100 VanDerWaalsContact O-N 3.12Å; T96-R260 PolarHBondContact O-NH1 2.94Å
97P95.3Very high95.2Very high27 Ų2727.7 Ų27.718%0.17514%0.137CC..Hα-helixtrans-52.2-41.5173.6-28.937.7000113.4Q100 A101 Y259 R260 L263P97-Q100 PolarHBondContact O-N 3.11Å; P97-A101 WeakPolarHBondContact O-CB 3.46Å; P97-A101 PolarHBondContact O-N 3.23Å; P97-Y259 HydrophobicContact CB-CD1 4.28Å; P97-Y259 HydrophobicContact CB-CE1 4.18Å; P97-Y259 HydrophobicContact CG-CD1 4.28Å; P97-Y259 HydrophobicContact CG-CE1 4.41Å; P97-R260 HydrophobicContact CB-CB 4.08Å; P97-R260 HydrophobicContact CB-CG 4.31Å; P97-R260 HydrophobicContact CG-CB 4.2Å; P97-L263 HydrophobicContact CB-CD1 3.77Å
98E95.8Very high95.1Very high91 Ų9128 Ų2843%0.42514%0.138SC..Hα-helixtrans-67.4-40-178.8-63.270.8-154.300111.8T96 N102 Y259 L263T96-E98 PolarHBondContact O-N 3.01Å; E98-N102 WeakPolarHBondContact O-CB 3.16Å; E98-N102 PolarHBondContact O-N 3.16Å; E98-Y259 WeakPolarHBondContact OE1-CE1 3.39Å; E98-Y259 PolarHBondContact OE1-OH 3.32Å; E98-Y259 VanDerWaalsContact OE1-OH 3.08Å; E98-L263 HydrophobicContact CG-CD1 4.34Å
99F95.3Very high94.7Very high78 Ų7833.6 Ų33.634%0.34216%0.159SC..Hα-helixtrans-62.8-49.9176.1179.4-88.7000110.6C95 T96 A101 N102 E103C95-F99 HydrophobicContact CB-CB 4.3Å; C95-F99 HydrophobicContact CB-CD1 3.56Å; C95-F99 HydrophobicContact CB-CE1 4.21Å; C95-F99 HydrophobicContact CB-CG 4.19Å; T96-F99 PolarHBondContact O-N 3.09Å; T96-F99 WeakPolarHBondContact OG1-CB 3.36Å; T96-F99 PolarHBondContact OG1-N 3.23Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.18Å; F99-N102 WeakPolarHBondContact O-CB 3.24Å; F99-N102 PolarHBondContact O-N 2.94Å; F99-N102 VanDerWaalsContact O-N 3.1Å; F99-E103 HydrophobicContact CD1-CG 4.07Å; F99-E103 HydrophobicContact CE1-CG 3.68Å; F99-E103 HydrophobicContact CZ-CG 4.09Å; F99-E103 PolarHBondContact O-N 3.43Å
100Q97.2Very high94.2Very high0 Ų038.2 Ų38.20%018%0.177CC..Hα-helixtrans-60.6-44.2179.3-161.1-172.718.200111.9I91 H92 T96 P97 N102 E103 V104 A250 L264I91-Q100 HydrophobicContact CB-CG 4.33Å; I91-Q100 HydrophobicContact CG2-CG 3.77Å; I91-Q100 PolarHBondContact O-NE2 3.38Å; I91-Q100 VanDerWaalsContact O-NE2 3.16Å; H92-Q100 PolarHBondContact O-NE2 3.17Å; H92-Q100 VanDerWaalsContact O-NE2 3.08Å; T96-Q100 PolarHBondContact O-N 2.59Å; T96-Q100 VanDerWaalsContact O-N 3.12Å; P97-Q100 PolarHBondContact O-N 3.11Å; Q100-N102 VanDerWaalsContact C-N 3.26Å; Q100-N102 PolarHBondContact O-N 2.87Å; Q100-E103 PolarHBondContact O-N 3.3Å; Q100-V104 PolarHBondContact O-N 3.12Å; Q100-A250 PolarHBondContact NE2-O 3.44Å; Q100-L264 HydrophobicContact CB-CD2 4.29Å; Q100-L264 HydrophobicContact CG-CD2 3.89Å
101A96.3Very high93.3Very high3 Ų338.3 Ų38.33%0.02518%0.178CC..Hα-helixtrans-62.4-33.9176.500000112.2P97 F99 R105 L263 S267P97-A101 WeakPolarHBondContact O-CB 3.46Å; P97-A101 PolarHBondContact O-N 3.23Å; F99-A101 VanDerWaalsContact C-N 3.34Å; F99-A101 PolarHBondContact O-N 3.18Å; A101-R105 WeakPolarHBondContact O-CB 3.27Å; A101-R105 PolarHBondContact O-N 2.74Å; A101-L263 HydrophobicContact CB-CB 3.94Å; A101-S267 WeakPolarHBondContact O-CB 3.5Å; A101-S267 PolarHBondContact O-OG 3.05Å
102N94.7Very high92Very high65 Ų6539.6 Ų39.635%0.34818%0.184SC..Hα-helixtrans-70.8-39.3174.2-168.851.6000112.5E98 F99 Q100 R105 K106E98-N102 WeakPolarHBondContact O-CB 3.16Å; E98-N102 PolarHBondContact O-N 3.16Å; F99-N102 WeakPolarHBondContact O-CB 3.24Å; F99-N102 PolarHBondContact O-N 2.94Å; F99-N102 VanDerWaalsContact O-N 3.1Å; Q100-N102 VanDerWaalsContact C-N 3.26Å; Q100-N102 PolarHBondContact O-N 2.87Å; N102-R105 WeakPolarHBondContact O-CB 2.97Å; N102-R105 PolarHBondContact O-N 2.84Å; N102-K106 WeakPolarHBondContact O-CG 3.38Å; N102-K106 PolarHBondContact O-N 2.71Å
103E96.8Very high91.1Very high7 Ų739.9 Ų39.93%0.03319%0.188CC..Hα-helixtrans-60-46.8173.7-70-60.2104.600111.3A76 I91 F99 Q100 R105 K106 V107A76-E103 WeakPolarHBondContact CA-OE2 3.27Å; A76-E103 HydrophobicContact CB-CB 4.49Å; A76-E103 WeakPolarHBondContact CB-OE2 3.37Å; A76-E103 PolarHBondContact N-OE2 2.97Å; I91-E103 HydrophobicContact CD1-CB 4.36Å; I91-E103 HydrophobicContact CG1-CB 4.43Å; I91-E103 HydrophobicContact CG2-CB 3.99Å; I91-E103 HydrophobicContact CG2-CG 4.49Å; F99-E103 HydrophobicContact CD1-CG 4.07Å; F99-E103 HydrophobicContact CE1-CG 3.68Å; F99-E103 HydrophobicContact CZ-CG 4.09Å; F99-E103 PolarHBondContact O-N 3.43Å; Q100-E103 PolarHBondContact O-N 3.3Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 3.15Å; E103-K106 WeakPolarHBondContact O-CB 3.39Å; E103-K106 PolarHBondContact O-N 3.16Å; E103-K106 VanDerWaalsContact O-N 3.16Å; E103-K106 WeakPolarHBondContact OE1-CD 3.37Å; E103-K106 WeakPolarHBondContact OE1-CE 3.42Å; E103-K106 IonicContact OE1-NZ 3.2Å; E103-K106 PolarHBondContact OE1-NZ 3.23Å; E103-V107 WeakPolarHBondContact O-CG2 3.37Å; E103-V107 PolarHBondContact O-N 3.01Å; E103-V107 VanDerWaalsContact O-N 3.13Å
104V96.8Very high90.5Very high0 Ų043.1 Ų43.10%020%0.202CC..Hα-helixtrans-57-45.9173.3173.20000110.7I91 Q100 K106 V107 K108 A249 L264 V269I91-V104 HydrophobicContact CG1-CG2 4.22Å; Q100-V104 PolarHBondContact O-N 3.12Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.14Å; V104-V107 PolarHBondContact O-N 3.23Å; V104-V107 VanDerWaalsContact O-N 3.09Å; V104-K108 HydrophobicContact CG1-CG 4.11Å; V104-K108 WeakPolarHBondContact O-CG 3.43Å; V104-K108 PolarHBondContact O-N 3.02Å; V104-A249 HydrophobicContact CG2-CB 4.28Å; V104-L264 HydrophobicContact CG2-CD2 3.78Å; V104-V269 HydrophobicContact CG1-CB 4.08Å
105R93.3Very high90.3Very high86 Ų8644 Ų4433%0.32521%0.207SC..Hα-helixtrans-60.4-38.7178.9-169.1-179.8-62109.72.5112.2A101 N102 E103 R109 S267A101-R105 WeakPolarHBondContact O-CB 3.27Å; A101-R105 PolarHBondContact O-N 2.74Å; N102-R105 WeakPolarHBondContact O-CB 2.97Å; N102-R105 PolarHBondContact O-N 2.84Å; E103-R105 VanDerWaalsContact C-N 3.3Å; E103-R105 PolarHBondContact O-N 3.15Å; R105-R109 HydrophobicContact CG-CG 4.3Å; R105-R109 VanDerWaalsContact O-CB 3.23Å; R105-R109 WeakPolarHBondContact O-CB 3.03Å; R105-R109 VanDerWaalsContact O-CG 3.25Å; R105-R109 WeakPolarHBondContact O-CG 3.39Å; R105-R109 PolarHBondContact O-N 3.45Å; R105-S267 PolarHBondContact NH2-OG 3.19Å
106K92.3Very high89.9Confident98 Ų9847.6 Ų47.643%0.42623%0.228SC..Hα-helixtrans-60.6-44.9173.9-70.7173.4-174.5171.80111.2A76 N102 E103 V104 R109 Y110A76-K106 HydrophobicContact CB-CB 3.97Å; A76-K106 HydrophobicContact CB-CD 4.13Å; N102-K106 WeakPolarHBondContact O-CG 3.38Å; N102-K106 PolarHBondContact O-N 2.71Å; E103-K106 WeakPolarHBondContact O-CB 3.39Å; E103-K106 PolarHBondContact O-N 3.16Å; E103-K106 VanDerWaalsContact O-N 3.16Å; E103-K106 WeakPolarHBondContact OE1-CD 3.37Å; E103-K106 WeakPolarHBondContact OE1-CE 3.42Å; E103-K106 IonicContact OE1-NZ 3.2Å; E103-K106 PolarHBondContact OE1-NZ 3.23Å; V104-K106 VanDerWaalsContact C-N 3.3Å; V104-K106 PolarHBondContact O-N 3.14Å; K106-R109 PolarHBondContact O-N 3.1Å; K106-Y110 PolarHBondContact O-N 2.88Å
107V94.9Very high89.3Confident0 Ų048.4 Ų48.40%023%0.229CC..Hα-helixtrans-63.2-51.3178.1-175.30000111.4A76 A79 I80 E103 V104 R109 Y110 L245 C247A76-V107 HydrophobicContact CB-CG2 4.01Å; A79-V107 HydrophobicContact CB-CG2 3.86Å; I80-V107 HydrophobicContact CD1-CG2 4.5Å; I80-V107 HydrophobicContact CG1-CB 4.14Å; I80-V107 HydrophobicContact CG1-CG1 4Å; I80-V107 HydrophobicContact CG1-CG2 3.98Å; E103-V107 WeakPolarHBondContact O-CG2 3.37Å; E103-V107 PolarHBondContact O-N 3.01Å; E103-V107 VanDerWaalsContact O-N 3.13Å; V104-V107 PolarHBondContact O-N 3.23Å; V104-V107 VanDerWaalsContact O-N 3.09Å; V107-R109 PolarHBondContact O-N 3.36Å; V107-Y110 WeakPolarHBondContact O-CB 3.47Å; V107-Y110 PolarHBondContact O-N 2.86Å; V107-Y110 VanDerWaalsContact O-N 3.13Å; V107-L245 HydrophobicContact CG1-CB 4.27Å; V107-C247 HydrophobicContact CB-CB 4.13Å; V107-C247 HydrophobicContact CG1-CB 3.82Å
108K92.6Very high88.9Confident5 Ų547.7 Ų47.72%0.02223%0.225CC..Hα-helixtrans-66-22.6-178.9-60.8-59.3-63.4-177.10113.4V104 Q112 D240 Q244 L245 C247 G268 D270V104-K108 HydrophobicContact CG1-CG 4.11Å; V104-K108 WeakPolarHBondContact O-CG 3.43Å; V104-K108 PolarHBondContact O-N 3.02Å; K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-NE2 2.86Å; K108-Q112 VanDerWaalsContact O-NE2 3.15Å; K108-D240 IonicContact NZ-OD2 2.72Å; K108-D240 PolarHBondContact NZ-OD2 2.92Å; K108-Q244 PolarHBondContact O-NE2 3.25Å; K108-L245 VanDerWaalsContact CD-O 3.29Å; K108-L245 WeakPolarHBondContact CD-O 3.37Å; K108-L245 WeakPolarHBondContact CE-O 3.42Å; K108-L245 PolarHBondContact NZ-O 2.97Å; K108-C247 HydrophobicContact CD-CB 3.95Å; K108-C247 HydrophobicContact CG-CB 4.49Å; K108-G268 WeakPolarHBondContact CD-O 3.44Å; K108-G268 VanDerWaalsContact CE-O 3.27Å; K108-G268 WeakPolarHBondContact CE-O 3.47Å; K108-D270 IonicContact NZ-OD1 3.35Å; K108-D270 PolarHBondContact NZ-OD1 2.99Å; K108-D270 IonicContact NZ-OD2 3.61Å; K108-D270 PolarHBondContact NZ-OD2 2.86Å
109R87.9Confident88.6Confident118 Ų11845 Ų4545%0.44521%0.214SC..Hα-helixtrans-93-10.4175.5-69-176.5176.4-162.4-9114.4R105 K106 V107 E111 D117R105-R109 HydrophobicContact CG-CG 4.3Å; R105-R109 VanDerWaalsContact O-CB 3.23Å; R105-R109 WeakPolarHBondContact O-CB 3.03Å; R105-R109 VanDerWaalsContact O-CG 3.25Å; R105-R109 WeakPolarHBondContact O-CG 3.39Å; R105-R109 PolarHBondContact O-N 3.45Å; K106-R109 PolarHBondContact O-N 3.1Å; V107-R109 PolarHBondContact O-N 3.36Å; R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 2.81Å; R109-D117 IonicContact NH2-OD2 2.87Å
110Y85.6Confident88.4Confident98 Ų9842.5 Ų42.538%0.38421%0.205SC..Hα-helixtrans-65.6-38.5-175.5-174.9-92.7000112.7I80 L84 K106 V107 K230 L245I80-Y110 HydrophobicContact CD1-CD2 3.7Å; I80-Y110 HydrophobicContact CD1-CE2 4.43Å; I80-Y110 HydrophobicContact CD1-CG 3.92Å; I80-Y110 HydrophobicContact CG1-CD2 4.36Å; I80-Y110 HydrophobicContact CG1-CG 4.11Å; I80-Y110 HydrophobicContact CG2-CD1 3.6Å; I80-Y110 HydrophobicContact CG2-CD2 4.01Å; I80-Y110 HydrophobicContact CG2-CE1 3.73Å; I80-Y110 HydrophobicContact CG2-CE2 4.11Å; I80-Y110 HydrophobicContact CG2-CG 3.74Å; L84-Y110 HydrophobicContact CD1-CE1 3.97Å; K106-Y110 PolarHBondContact O-N 2.88Å; V107-Y110 WeakPolarHBondContact O-CB 3.47Å; V107-Y110 PolarHBondContact O-N 2.86Å; V107-Y110 VanDerWaalsContact O-N 3.13Å; Y110-K230 HydrophobicContact CD1-CD 4.36Å; Y110-K230 HydrophobicContact CE1-CD 3.78Å; Y110-K230 VanDerWaalsContact CE1-NZ 3.32Å; Y110-K230 PolarHBondContact O-NZ 3.39Å; Y110-L245 HydrophobicContact CD1-CD1 3.93Å
111E78.9Confident88.3Confident2 Ų243.1 Ų43.11%0.00921%0.208CC..SBendtrans-137.4124.3174.5-166.7-177163.100108.1R109 D227 K230 N231 K239 Q244 L245R109-E111 VanDerWaalsContact C-N 3.34Å; R109-E111 PolarHBondContact O-N 2.81Å; E111-D227 HydrophobicContact CG-CB 4.1Å; E111-K230 HydrophobicContact CG-CD 4.33Å; E111-N231 VanDerWaalsContact OE1-CG 3.25Å; E111-N231 PolarHBondContact OE1-ND2 3.44Å; E111-N231 PolarHBondContact OE1-OD1 3.27Å; E111-K239 IonicContact OE1-NZ 3.19Å; E111-K239 PolarHBondContact OE1-NZ 3.19Å; E111-K239 IonicContact OE2-NZ 2.86Å; E111-K239 PolarHBondContact OE2-NZ 2.93Å; E111-Q244 WeakPolarHBondContact O-CA 3.46Å; E111-L245 HydrophobicContact CB-CD1 4.46Å; E111-L245 HydrophobicContact CB-CG 4.18Å
112Q70.8Confident88.2Confident27 Ų2744 Ų4413%0.12622%0.215CC..  trans-138.4129.3-178.3-56-169.9-46.800107.1K108 I115 Q244K108-Q112 WeakPolarHBondContact O-CG 3.35Å; K108-Q112 PolarHBondContact O-NE2 2.86Å; K108-Q112 VanDerWaalsContact O-NE2 3.15Å; Q112-I115 HydrophobicContact CB-CG1 3.75Å; Q112-Q244 HydrophobicContact CG-CG 4.31Å
113G77.4Confident88.2Confident11 Ų1141.9 Ų41.911%0.11320%0.204CC..SBendtrans-61.6-69.6176.600000110.2
114F82.9Confident87.9Confident73 Ų7348.4 Ų48.432%0.3223%0.234SC..SBendtrans-102.9121.4168.9-67.1-83.5000109.2T116 V192 L194 I212 A221 I223F114-T116 PolarHBondContact O-N 3.45Å; F114-V192 HydrophobicContact CE1-CG1 4.25Å; F114-V192 WeakPolarHBondContact CZ-O 3.41Å; F114-L194 HydrophobicContact CD2-CD1 4.24Å; F114-L194 HydrophobicContact CE2-CB 3.8Å; F114-L194 HydrophobicContact CE2-CD1 3.94Å; F114-L194 HydrophobicContact CE2-CG 4.44Å; F114-L194 HydrophobicContact CZ-CB 4.1Å; F114-L194 HydrophobicContact CZ-CD1 4.15Å; F114-I212 HydrophobicContact CD1-CD1 3.29Å; F114-I212 HydrophobicContact CE1-CD1 3.23Å; F114-A221 HydrophobicContact CB-CB 4.49Å; F114-I223 HydrophobicContact CD1-CD1 3.79Å; F114-I223 HydrophobicContact CD1-CG1 3.89Å; F114-I223 HydrophobicContact CE1-CD1 3.56Å; F114-I223 HydrophobicContact CE1-CG1 4.2Å; F114-I223 HydrophobicContact CZ-CD1 4.34Å
115I84.8Confident87.7Confident28 Ų2851.7 Ų51.714%0.14425%0.25CS..BIsolated β-bridgetrans-87.8103.8175.2-57.2158.2000107.4Q112 P118 A221 I222Q112-I115 HydrophobicContact CB-CG1 3.75Å; I115-P118 HydrophobicContact CG2-CB 3.86Å; I115-P118 HydrophobicContact CG2-CG 4.47Å; I115-A221 CarbonylContact O-C 3.59Å; I115-A221 WeakPolarHBondContact O-CA 3.43Å; I115-A221 WeakPolarHBondContact O-CB 3.3Å; I115-I222 HydrophobicContact CB-CG2 3.68Å; I115-I222 VanDerWaalsContact CB-O 3.26Å; I115-I222 WeakPolarHBondContact CB-O 3.46Å; I115-I222 HydrophobicContact CD1-CG2 3.94Å; I115-I222 HydrophobicContact CG1-CG2 4.39Å; I115-I222 HydrophobicContact CG2-CG2 3.99Å; I115-I222 PolarHBondContact N-O 3.2Å; I115-I222 PolarHBondContact O-N 2.62Å
116T83.3Confident87.7Confident102 Ų10252.3 Ų52.363%0.62625%0.252SS*.SBendtrans-88.1-15-176.255.50000114.2F114 P118 M150F114-T116 PolarHBondContact O-N 3.45Å; T116-P118 VanDerWaalsContact C-CD 3.46Å; T116-M150 WeakPolarHBondContact O-CE 3.25Å
117D82.8Confident87.7Confident97 Ų9747.6 Ų47.652%0.51923%0.232SC..SBendtrans-13463177.5-176.641.6000110.1R109R109-D117 IonicContact NH2-OD2 2.87Å
118P86.4Confident87.5Confident13 Ų1352.8 Ų52.88%0.08425%0.251CS..  trans-69.5154.6174.130.8-35.3000111I115 T116 V120 P143 M150 L219 I222I115-P118 HydrophobicContact CG2-CB 3.86Å; I115-P118 HydrophobicContact CG2-CG 4.47Å; T116-P118 VanDerWaalsContact C-CD 3.46Å; P118-V120 HydrophobicContact CG-CG1 4.36Å; P118-V120 PolarHBondContact O-N 2.88Å; P118-P143 HydrophobicContact CB-CG 4.36Å; P118-P143 HydrophobicContact CG-CG 4.25Å; P118-M150 WeakPolarHBondContact CD-SD 3.42Å; P118-M150 HydrophobicContact CG-CE 4.14Å; P118-M150 HydrophobicContact CG-SD 3.49Å; P118-M150 WeakPolarHBondContact CG-SD 3.46Å; P118-L219 HydrophobicContact CG-CD2 4.39Å; P118-I222 HydrophobicContact CB-CG2 3.64Å; P118-I222 HydrophobicContact CG-CG2 3.89Å
119V89.1Confident87.4Confident35 Ų3554.4 Ų54.421%0.21226%0.26CS..  trans-60.7126.2162.9178.70000107.4F139 I142 P143V119-F139 HydrophobicContact CB-CE2 4.2Å; V119-F139 HydrophobicContact CB-CZ 4.24Å; V119-F139 HydrophobicContact CG2-CE2 4.21Å; V119-F139 HydrophobicContact CG2-CZ 3.77Å; V119-I142 HydrophobicContact CG1-CD1 4.26Å; V119-I142 HydrophobicContact CG1-CG2 4.39Å; V119-I142 WeakPolarHBondContact O-CG2 3.45Å; V119-P143 WeakPolarHBondContact O-CD 3.24Å
120V92.8Very high87.5Confident25 Ų2548.8 Ų48.815%0.15224%0.239CC..  trans-122151.6178.5-75.60000108.8P118 P143 T145 G148 M150 L219P118-V120 HydrophobicContact CG-CG1 4.36Å; P118-V120 PolarHBondContact O-N 2.88Å; V120-P143 WeakPolarHBondContact CA-O 3.27Å; V120-P143 HydrophobicContact CG1-CG 3.86Å; V120-T145 HydrophobicContact CG1-CG2 4.36Å; V120-G148 WeakPolarHBondContact CG2-O 3.03Å; V120-M150 HydrophobicContact CG1-CG 4.14Å; V120-M150 HydrophobicContact CG1-SD 3.51Å; V120-M150 VanDerWaalsContact CG1-SD 3.51Å; V120-M150 HydrophobicContact CG2-CG 4.22Å; V120-L219 HydrophobicContact CG1-CD2 3.72Å
121M93.9Very high87.6Confident12 Ų1247 Ų476%0.05923%0.233CC..BIsolated β-bridgetrans-134.1161.3179.4-77.3178.2175.500111.3E125 V130 A133 I142 P143 I144 T145 L175M121-E125 WeakPolarHBondContact CA-OE2 3.49Å; M121-E125 WeakPolarHBondContact CB-OE2 3.4Å; M121-E125 VanDerWaalsContact CG-OE2 3.24Å; M121-E125 WeakPolarHBondContact CG-OE2 3.09Å; M121-V130 HydrophobicContact CE-CG2 4.43Å; M121-V130 HydrophobicContact SD-CB 4.49Å; M121-V130 HydrophobicContact SD-CG2 3.54Å; M121-V130 VanDerWaalsContact SD-CG2 3.54Å; M121-A133 HydrophobicContact CE-CB 3.59Å; M121-I142 HydrophobicContact CB-CG2 4.03Å; M121-I142 HydrophobicContact CE-CD1 3.87Å; M121-I142 HydrophobicContact CG-CG2 3.83Å; M121-I142 HydrophobicContact SD-CD1 3.94Å; M121-I142 HydrophobicContact SD-CG2 3.98Å; M121-P143 PolarHBondContact N-O 3.09Å; M121-I144 HydrophobicContact CB-CD1 3.73Å; M121-I144 VanDerWaalsContact O-CA 3.3Å; M121-I144 WeakPolarHBondContact O-CA 3.36Å; M121-I144 WeakPolarHBondContact O-CG2 3.34Å; M121-T145 PolarHBondContact O-N 3.31Å; M121-L175 HydrophobicContact CB-CD1 3.9Å; M121-L175 HydrophobicContact SD-CD1 4.02Å
122S94.5Very high88Confident23 Ų2351.3 Ų51.316%0.16125%0.254CS..  trans-93.1150.3175.3177.50000110.8Q124 E125S122-Q124 PolarHBondContact O-N 2.61Å; S122-E125 PolarHBondContact N-OE2 3.46Å; S122-E125 PolarHBondContact O-N 3.19Å; S122-E125 VanDerWaalsContact O-N 3.11Å
123P93.6Very high88.8Confident19 Ų1950.5 Ų50.512%0.12325%0.251CS..THydrogen-bonded Turntrans-56-21.3174.9-26.434.6000114.7I144 T145 V155 L175 S176P123-I144 HydrophobicContact CB-CG2 4.38Å; P123-I144 HydrophobicContact CG-CG2 3.74Å; P123-T145 VanDerWaalsContact CD-O 3.32Å; P123-T145 WeakPolarHBondContact CD-O 3.37Å; P123-V155 HydrophobicContact CG-CG2 3.65Å; P123-L175 PolarHBondContact O-N 2.66Å; P123-S176 PolarHBondContact O-N 3.25Å; P123-S176 VanDerWaalsContact O-N 3.09Å
124Q92.1Very high89.2Confident144 Ų14453.1 Ų53.167%0.67326%0.26SS*.THydrogen-bonded Turntrans-93.4-8.7-176.1-45-50.736.700113.8S122S122-Q124 PolarHBondContact O-N 2.61Å
125E93Very high89.2Confident70 Ų7053.9 Ų53.933%0.32728%0.279SS..SBendtrans-67.7167.3168.2-70.3179.2116.400110M121 S122 P174 L175M121-E125 WeakPolarHBondContact CA-OE2 3.49Å; M121-E125 WeakPolarHBondContact CB-OE2 3.4Å; M121-E125 VanDerWaalsContact CG-OE2 3.24Å; M121-E125 WeakPolarHBondContact CG-OE2 3.09Å; S122-E125 PolarHBondContact N-OE2 3.46Å; S122-E125 PolarHBondContact O-N 3.19Å; S122-E125 VanDerWaalsContact O-N 3.11Å; E125-P174 WeakPolarHBondContact O-CA 3.36Å; E125-L175 HydrophobicContact CB-CD1 3.93Å; E125-L175 WeakPolarHBondContact O-CG 3.36Å; E125-L175 PolarHBondContact O-N 3.06Å
126R92.8Very high88.9Confident98 Ų9861.7 Ų61.737%0.3731%0.307SS..BIsolated β-bridgetrans-107.9158.3-173-64.4-178.7-176.7-165.5-0111.6R128 D129 N172 L173R126-R128 HydrophobicContact CB-CG 3.89Å; R126-R128 PolarHBondContact O-N 2.73Å; R126-D129 PolarHBondContact N-OD2 3.39Å; R126-D129 WeakPolarHBondContact O-CB 3.44Å; R126-D129 PolarHBondContact O-N 3.19Å; R126-N172 PolarHBondContact NH1-OD1 3.01Å; R126-L173 WeakPolarHBondContact CA-O 3.28Å
127V91.1Very high88.7Confident0 Ų061.2 Ų61.20%030%0.297CS..Hα-helixtrans-54.3-37.5174.8174.50000112.2D129 V130 F131 I163 L166 L173 L175 V178V127-D129 PolarHBondContact O-N 3.02Å; V127-V130 WeakPolarHBondContact O-CB 3.39Å; V127-V130 PolarHBondContact O-N 3.17Å; V127-V130 VanDerWaalsContact O-N 3.13Å; V127-F131 HydrophobicContact CG1-CD2 4.01Å; V127-F131 HydrophobicContact CG1-CE2 3.61Å; V127-F131 WeakPolarHBondContact O-CD2 3.37Å; V127-F131 PolarHBondContact O-N 3.34Å; V127-I163 HydrophobicContact CG1-CB 4.34Å; V127-I163 HydrophobicContact CG1-CG2 4.03Å; V127-L166 HydrophobicContact CG1-CD1 3.83Å; V127-L166 HydrophobicContact CG2-CD1 4.12Å; V127-L173 PolarHBondContact N-O 3.48Å; V127-L175 HydrophobicContact CG2-CD2 4.22Å; V127-V178 HydrophobicContact CG2-CG2 4.05Å
128R90.4Very high88.4Confident109 Ų10959.8 Ų59.841%0.41131%0.306SS..Hα-helixtrans-56.6-32.4174.472-175.7-174.2-176.3-1.6113.9R126 V130 F131 Q132 H171R126-R128 HydrophobicContact CB-CG 3.89Å; R126-R128 PolarHBondContact O-N 2.73Å; R128-V130 VanDerWaalsContact C-N 3.32Å; R128-F131 PolarHBondContact O-N 3.49Å; R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.84Å; R128-H171 HydrophobicContact CB-CB 4.44Å; R128-H171 PolarHBondContact N-O 3.35Å
129D90.6Very high88.2Confident38 Ų3863.1 Ų63.120%0.20332%0.319CS..Hα-helixtrans-73.3-33.1-177.5-54.4-40.7000109.6R126 V127 Q132 A133R126-D129 PolarHBondContact N-OD2 3.39Å; R126-D129 WeakPolarHBondContact O-CB 3.44Å; R126-D129 PolarHBondContact O-N 3.19Å; V127-D129 PolarHBondContact O-N 3.02Å; D129-Q132 PolarHBondContact O-N 2.81Å; D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 3.13Å
130V89.9Confident87.8Confident0 Ų061.7 Ų61.70%031%0.311CS..Hα-helixtrans-64.4-42169.9179.90000111.3M121 V127 R128 Q132 A133 K134 I142 I158 I163 L175M121-V130 HydrophobicContact CE-CG2 4.43Å; M121-V130 HydrophobicContact SD-CB 4.49Å; M121-V130 HydrophobicContact SD-CG2 3.54Å; M121-V130 VanDerWaalsContact SD-CG2 3.54Å; V127-V130 WeakPolarHBondContact O-CB 3.39Å; V127-V130 PolarHBondContact O-N 3.17Å; V127-V130 VanDerWaalsContact O-N 3.13Å; R128-V130 VanDerWaalsContact C-N 3.32Å; V130-Q132 VanDerWaalsContact C-N 3.34Å; V130-Q132 PolarHBondContact O-N 2.92Å; V130-A133 PolarHBondContact O-N 3.21Å; V130-K134 WeakPolarHBondContact O-CB 3.14Å; V130-K134 PolarHBondContact O-N 2.92Å; V130-I142 HydrophobicContact CG1-CD1 4.21Å; V130-I158 HydrophobicContact CG1-CG2 4.2Å; V130-I158 HydrophobicContact CG2-CD1 4.34Å; V130-I158 HydrophobicContact CG2-CG2 4.05Å; V130-I163 HydrophobicContact CG1-CD1 3.79Å; V130-L175 HydrophobicContact CG2-CD1 3.99Å; V130-L175 HydrophobicContact CG2-CD2 3.52Å; V130-L175 HydrophobicContact CG2-CG 4.42Å
131F88.5Confident87.5Confident60 Ų6060.9 Ų60.926%0.26331%0.308SS..Hα-helixtrans-63.1-39.3174.7-76.3-65000112.3V127 R128 K134 A135 I163 H171V127-F131 HydrophobicContact CG1-CD2 4.01Å; V127-F131 HydrophobicContact CG1-CE2 3.61Å; V127-F131 WeakPolarHBondContact O-CD2 3.37Å; V127-F131 PolarHBondContact O-N 3.34Å; R128-F131 PolarHBondContact O-N 3.49Å; F131-K134 PolarHBondContact O-N 3.19Å; F131-A135 PolarHBondContact O-N 2.68Å; F131-I163 HydrophobicContact CD1-CD1 4.08Å; F131-I163 HydrophobicContact CE1-CD1 3.7Å; F131-I163 HydrophobicContact CE1-CG1 4.22Å; F131-I163 HydrophobicContact CE2-CD1 4.33Å; F131-I163 HydrophobicContact CZ-CB 4.14Å; F131-I163 HydrophobicContact CZ-CD1 3.84Å; F131-I163 HydrophobicContact CZ-CG1 4.1Å; F131-H171 AromaticContact CE2-CD2 3.67Å; F131-H171 AromaticContact CE2-CE1 3.85Å; F131-H171 AromaticContact CE2-NE2 3.41Å; F131-H171 WeakPolarHBondContact CE2-NE2 3.39Å; F131-H171 AromaticContact CZ-NE2 3.92Å
132Q87.9Confident87.4Confident94 Ų9460.3 Ų60.344%0.43931%0.305SS..Hα-helixtrans-64.2-42.9173.6-70.3-177.423.400111.8R128 D129 V130 K134 A135 R136R128-Q132 WeakPolarHBondContact O-CG 3.44Å; R128-Q132 PolarHBondContact O-N 2.84Å; D129-Q132 PolarHBondContact O-N 2.81Å; V130-Q132 VanDerWaalsContact C-N 3.34Å; V130-Q132 PolarHBondContact O-N 2.92Å; Q132-K134 VanDerWaalsContact C-N 3.35Å; Q132-A135 PolarHBondContact O-N 3.1Å; Q132-R136 WeakPolarHBondContact O-CG 3.33Å; Q132-R136 PolarHBondContact O-N 3.3Å
133A86.3Confident87.3Confident9 Ų959.3 Ų59.37%0.07430%0.298CS..Hα-helixtrans-62.4-41.7174.700000111.7M121 D129 V130 A135 R136 H137 I142M121-A133 HydrophobicContact CE-CB 3.59Å; D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 3.13Å; V130-A133 PolarHBondContact O-N 3.21Å; A133-A135 PolarHBondContact O-N 3.18Å; A133-R136 PolarHBondContact O-N 3.27Å; A133-H137 WeakPolarHBondContact O-CB 3.45Å; A133-H137 PolarHBondContact O-CD2 3.2Å; A133-H137 PolarHBondContact O-N 3.45Å; A133-I142 HydrophobicContact CB-CD1 3.79Å
134K85.9Confident87.3Confident67 Ų6758.4 Ų58.429%0.29129%0.292SS..Hα-helixtrans-60-43.2174.4-176.3179.8-178.4179.40111.4V130 F131 Q132 G138 F139 C140 D164V130-K134 WeakPolarHBondContact O-CB 3.14Å; V130-K134 PolarHBondContact O-N 2.92Å; F131-K134 PolarHBondContact O-N 3.19Å; Q132-K134 VanDerWaalsContact C-N 3.35Å; K134-G138 WeakPolarHBondContact O-CA 3.48Å; K134-G138 PolarHBondContact O-N 3.25Å; K134-F139 WeakPolarHBondContact CA-O 3.17Å; K134-C140 HydrophobicContact CD-CB 4.07Å; K134-C140 HydrophobicContact CG-CB 4.27Å; K134-D164 IonicContact NZ-OD1 2.84Å; K134-D164 PolarHBondContact NZ-OD1 3.07Å
135A83.8Confident87.4Confident89 Ų8951.5 Ų51.574%0.73626%0.26SS*.Hα-helixtrans-67.2-38.6177.400000112.8F131 Q132 A133F131-A135 PolarHBondContact O-N 2.68Å; Q132-A135 PolarHBondContact O-N 3.1Å; A133-A135 PolarHBondContact O-N 3.18Å
136R79.1Confident87.5Confident192 Ų19252.1 Ų52.173%0.72527%0.265SS*.Hα-helixtrans-77.3-38.4-179.3-71.2179.1-173.9171.45.8113.5Q132 A133Q132-R136 WeakPolarHBondContact O-CG 3.33Å; Q132-R136 PolarHBondContact O-N 3.3Å; A133-R136 PolarHBondContact O-N 3.27Å
137H78.4Confident87.4Confident91 Ų9151.4 Ų51.442%0.42127%0.269SS..Hα-helixtrans-111.1-13.6-170.1-57.8-60.6000114.2A133 F139A133-H137 WeakPolarHBondContact O-CB 3.45Å; A133-H137 PolarHBondContact O-CD2 3.2Å; A133-H137 PolarHBondContact O-N 3.45Å; H137-F139 VanDerWaalsContact C-N 3.3Å; H137-F139 HydrophobicContact CB-CD1 3.86Å; H137-F139 HydrophobicContact CB-CE1 3.49Å; H137-F139 VanDerWaalsContact CB-CE1 3.49Å; H137-F139 HydrophobicContact CB-CZ 3.9Å; H137-F139 WeakPolarHBondContact O-CD1 3.48Å; H137-F139 PolarHBondContact O-N 3.14Å
138G77.4Confident87.3Confident68 Ų6852.4 Ų52.470%0.70128%0.279SS*.SBendtrans77.47.8177.700000115.2K134K134-G138 WeakPolarHBondContact O-CA 3.48Å; K134-G138 PolarHBondContact O-N 3.25Å
139F81.2Confident87.2Confident82 Ų8254 Ų5436%0.3629%0.289SS..  trans-136.4156.817763.6-100.5000111.9V119 K134 H137V119-F139 HydrophobicContact CB-CE2 4.2Å; V119-F139 HydrophobicContact CB-CZ 4.24Å; V119-F139 HydrophobicContact CG2-CE2 4.21Å; V119-F139 HydrophobicContact CG2-CZ 3.77Å; K134-F139 WeakPolarHBondContact CA-O 3.17Å; H137-F139 VanDerWaalsContact C-N 3.3Å; H137-F139 HydrophobicContact CB-CD1 3.86Å; H137-F139 HydrophobicContact CB-CE1 3.49Å; H137-F139 VanDerWaalsContact CB-CE1 3.49Å; H137-F139 HydrophobicContact CB-CZ 3.9Å; H137-F139 WeakPolarHBondContact O-CD1 3.48Å; H137-F139 PolarHBondContact O-N 3.14Å
140C80.8Confident87.2Confident5 Ų554.9 Ų54.93%0.03429%0.292CS..  trans-126.3-5.8-170.4-167.20000114.4K134 I142 I158 S160 I163K134-C140 HydrophobicContact CD-CB 4.07Å; K134-C140 HydrophobicContact CG-CB 4.27Å; C140-I142 PolarHBondContact O-N 2.9Å; C140-I158 VanDerWaalsContact O-O 3.1Å; C140-S160 WeakPolarHBondContact CB-OG 3.29Å; C140-I163 WeakPolarHBondContact SG-CD1 3.49Å
141G86.9Confident87.1Confident9 Ų957 Ų579%0.09331%0.314CS..  trans-84.491.3179.500000111.5I158 K209G141-I158 CarbonylContact C-O 3.5Å; G141-I158 WeakPolarHBondContact CA-O 3.17Å; G141-K209 WeakPolarHBondContact O-CD 3.31Å; G141-K209 PolarHBondContact O-NZ 3.11Å
142I91.3Very high87.1Confident0 Ų054.3 Ų54.30%030%0.303CS..EExtended strand (participates in β ladder)trans-111.7118.9-169.5-60.6-179.2000108.5V119 M121 V130 A133 C140 I144 I157 I158V119-I142 HydrophobicContact CG1-CD1 4.26Å; V119-I142 HydrophobicContact CG1-CG2 4.39Å; V119-I142 WeakPolarHBondContact O-CG2 3.45Å; M121-I142 HydrophobicContact CB-CG2 4.03Å; M121-I142 HydrophobicContact CE-CD1 3.87Å; M121-I142 HydrophobicContact CG-CG2 3.83Å; M121-I142 HydrophobicContact SD-CD1 3.94Å; M121-I142 HydrophobicContact SD-CG2 3.98Å; V130-I142 HydrophobicContact CG1-CD1 4.21Å; A133-I142 HydrophobicContact CB-CD1 3.79Å; C140-I142 PolarHBondContact O-N 2.9Å; I142-I144 HydrophobicContact CG2-CD1 4.46Å; I142-I157 WeakPolarHBondContact O-CG1 3.23Å; I142-I158 HydrophobicContact CB-CG2 3.9Å; I142-I158 PolarHBondContact N-O 3.4Å; I142-I158 PolarHBondContact O-N 2.91Å
143P92.8Very high87.4Confident1 Ų154.5 Ų54.51%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-66139.417125.8-32.7000111.3P118 V119 V120 M121 L154 L219 I222P118-P143 HydrophobicContact CB-CG 4.36Å; P118-P143 HydrophobicContact CG-CG 4.25Å; V119-P143 WeakPolarHBondContact O-CD 3.24Å; V120-P143 WeakPolarHBondContact CA-O 3.27Å; V120-P143 HydrophobicContact CG1-CG 3.86Å; M121-P143 PolarHBondContact N-O 3.09Å; P143-L154 HydrophobicContact CB-CD1 3.97Å; P143-L219 HydrophobicContact CB-CD2 3.69Å; P143-L219 HydrophobicContact CG-CD2 3.68Å; P143-I222 HydrophobicContact CB-CD1 4.47Å; P143-I222 HydrophobicContact CG-CD1 4.16Å
144I94.1Very high87.8Confident0 Ų054.1 Ų54.10%030%0.299CS..EExtended strand (participates in β ladder)trans-105.2122.4178.8-49.1-55.8000108.4M121 P123 I142 V155 G156 I158 L175 M179M121-I144 HydrophobicContact CB-CD1 3.73Å; M121-I144 VanDerWaalsContact O-CA 3.3Å; M121-I144 WeakPolarHBondContact O-CA 3.36Å; M121-I144 WeakPolarHBondContact O-CG2 3.34Å; P123-I144 HydrophobicContact CB-CG2 4.38Å; P123-I144 HydrophobicContact CG-CG2 3.74Å; I142-I144 HydrophobicContact CG2-CD1 4.46Å; I144-V155 HydrophobicContact CB-CG2 4.23Å; I144-V155 HydrophobicContact CG2-CG2 3.8Å; I144-V155 VanDerWaalsContact O-CG2 3.31Å; I144-V155 WeakPolarHBondContact O-CG2 3.25Å; I144-V155 PolarHBondContact O-N 3.17Å; I144-G156 PolarHBondContact N-O 3Å; I144-G156 PolarHBondContact O-N 3.27Å; I144-I158 HydrophobicContact CD1-CG2 4.19Å; I144-L175 HydrophobicContact CD1-CD1 3.85Å; I144-M179 HydrophobicContact CB-SD 3.87Å; I144-M179 HydrophobicContact CG1-CB 4.36Å; I144-M179 HydrophobicContact CG1-SD 3.9Å; I144-M179 HydrophobicContact CG2-SD 3.79Å
145T94.3Very high88.1Confident0 Ų052.5 Ų52.50%030%0.295CS..EExtended strand (participates in β ladder)trans-113.8146.6177.3520000109.5V120 M121 P123 N147 G148 K149 K153 L219V120-T145 HydrophobicContact CG1-CG2 4.36Å; M121-T145 PolarHBondContact O-N 3.31Å; P123-T145 VanDerWaalsContact CD-O 3.32Å; P123-T145 WeakPolarHBondContact CD-O 3.37Å; T145-N147 PolarHBondContact O-N 2.89Å; T145-G148 PolarHBondContact O-N 3.41Å; T145-G148 VanDerWaalsContact OG1-CA 3.24Å; T145-G148 WeakPolarHBondContact OG1-CA 3.4Å; T145-G148 PolarHBondContact OG1-N 2.84Å; T145-K149 PolarHBondContact OG1-N 2.87Å; T145-K149 VanDerWaalsContact OG1-N 3.1Å; T145-K149 PolarHBondContact OG1-O 2.84Å; T145-K153 CarbonylContact C-O 3.59Å; T145-K153 VanDerWaalsContact CA-O 3.24Å; T145-K153 WeakPolarHBondContact CA-O 3.3Å; T145-L219 HydrophobicContact CG2-CB 4.14Å; T145-L219 HydrophobicContact CG2-CD2 4.13Å
146D93.3Very high88.5Confident82 Ų8248.3 Ų48.344%0.43926%0.26SS..THydrogen-bonded Turntrans-42.2-44.4179.563.8-21.4000114.5G152 K153 V155D146-G152 WeakPolarHBondContact OD1-CA 3.49Å; D146-K153 HydrophobicContact CB-CB 4.47Å; D146-K153 PolarHBondContact N-O 2.93Å; D146-K153 PolarHBondContact OD1-N 3.23Å; D146-V155 HydrophobicContact CB-CG1 4.24Å
147N90.9Very high89.1Confident84 Ų8440 Ų4045%0.44923%0.23SC..THydrogen-bonded Turntrans-104.11.6-176.564.614.4000114.7T145 K149T145-N147 PolarHBondContact O-N 2.89Å; N147-K149 VanDerWaalsContact C-N 3.31Å; N147-K149 PolarHBondContact O-N 2.89Å; N147-K149 WeakPolarHBondContact OD1-CA 3.16Å; N147-K149 WeakPolarHBondContact OD1-CB 2.94Å; N147-K149 PolarHBondContact OD1-N 2.79Å; N147-K149 PolarHBondContact OD1-O 2.78Å
148G88.8Confident89.7Confident20 Ų2035.7 Ų35.721%0.20621%0.21CC..SBendtrans67.222.5-17500000115.4V120 T145V120-G148 WeakPolarHBondContact CG2-O 3.03Å; T145-G148 PolarHBondContact O-N 3.41Å; T145-G148 VanDerWaalsContact OG1-CA 3.24Å; T145-G148 WeakPolarHBondContact OG1-CA 3.4Å; T145-G148 PolarHBondContact OG1-N 2.84Å
149K89.9Confident90.3Very high143 Ų14334.1 Ų34.162%0.62219%0.188SC*.SBendtrans-128.2150.4-179.5-62.8-177.9-179.8178.50111.7T145 N147 G152T145-K149 PolarHBondContact OG1-N 2.87Å; T145-K149 VanDerWaalsContact OG1-N 3.1Å; T145-K149 PolarHBondContact OG1-O 2.84Å; N147-K149 VanDerWaalsContact C-N 3.31Å; N147-K149 PolarHBondContact O-N 2.89Å; N147-K149 WeakPolarHBondContact OD1-CA 3.16Å; N147-K149 WeakPolarHBondContact OD1-CB 2.94Å; N147-K149 PolarHBondContact OD1-N 2.79Å; N147-K149 PolarHBondContact OD1-O 2.78Å; K149-G152 PolarHBondContact O-N 3.42Å
150M89.7Confident90.5Very high56 Ų5632.1 Ų32.128%0.27619%0.185SC..THydrogen-bonded Turntrans-58.9140.5171.6-81.3-58.9-64.200110.9T116 P118 V120 G152 L219T116-M150 WeakPolarHBondContact O-CE 3.25Å; P118-M150 WeakPolarHBondContact CD-SD 3.42Å; P118-M150 HydrophobicContact CG-CE 4.14Å; P118-M150 HydrophobicContact CG-SD 3.49Å; P118-M150 WeakPolarHBondContact CG-SD 3.46Å; V120-M150 HydrophobicContact CG1-CG 4.14Å; V120-M150 HydrophobicContact CG1-SD 3.51Å; V120-M150 VanDerWaalsContact CG1-SD 3.51Å; V120-M150 HydrophobicContact CG2-CG 4.22Å; M150-G152 PolarHBondContact O-N 3.43Å; M150-L219 HydrophobicContact CE-CD2 4.35Å; M150-L219 HydrophobicContact CE-CG 4.2Å; M150-L219 HydrophobicContact SD-CD2 3.68Å; M150-L219 HydrophobicContact SD-CG 4.16Å
151G86.9Confident90.8Very high44 Ų4441.4 Ų41.445%0.45422%0.219SC..THydrogen-bonded Turntrans79.8-5.2-170.900000114.9S218 L219G151-S218 WeakPolarHBondContact O-CB 3.45Å; G151-S218 PolarHBondContact O-OG 3.35Å; G151-L219 WeakPolarHBondContact CA-O 3.23Å; G151-L219 PolarHBondContact N-O 2.96Å
152G90.1Very high90.7Very high4 Ų443.1 Ų43.14%0.04123%0.226CC..SBendtrans-69.4163167.700000112.4D146 K149 M150 L154 S218 L219D146-G152 WeakPolarHBondContact OD1-CA 3.49Å; K149-G152 PolarHBondContact O-N 3.42Å; M150-G152 PolarHBondContact O-N 3.43Å; G152-L154 PolarHBondContact O-N 2.86Å; G152-S218 VanDerWaalsContact O-CA 3.32Å; G152-S218 WeakPolarHBondContact O-CA 3.42Å; G152-L219 PolarHBondContact O-N 3.21Å
153K93.6Very high90.5Very high98 Ų9843.1 Ų43.143%0.42623%0.226SC..BIsolated β-bridgetrans-68.9126.8179.4-171.8178.2178-175.60109.3T145 D146 V155T145-K153 CarbonylContact C-O 3.59Å; T145-K153 VanDerWaalsContact CA-O 3.24Å; T145-K153 WeakPolarHBondContact CA-O 3.3Å; D146-K153 HydrophobicContact CB-CB 4.47Å; D146-K153 PolarHBondContact N-O 2.93Å; D146-K153 PolarHBondContact OD1-N 3.23Å; K153-V155 PolarHBondContact O-N 3.36Å
154L93.7Very high90.1Very high2 Ų247.1 Ų47.11%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-70.7119.9178.9-178.271.9000109.6P143 G152 G156 L185 V187 P211 V213 G217 L219P143-L154 HydrophobicContact CB-CD1 3.97Å; G152-L154 PolarHBondContact O-N 2.86Å; L154-G156 WeakPolarHBondContact CD1-O 3.4Å; L154-L185 HydrophobicContact CD2-CD1 4.26Å; L154-V187 HydrophobicContact CD2-CG1 3.82Å; L154-P211 HydrophobicContact CD2-CB 3.5Å; L154-P211 VanDerWaalsContact CD2-CB 3.5Å; L154-P211 HydrophobicContact CD2-CG 3.94Å; L154-V213 HydrophobicContact CB-CG1 4.11Å; L154-V213 HydrophobicContact CD2-CG1 3.82Å; L154-G217 PolarHBondContact N-O 3.4Å; L154-L219 HydrophobicContact CD1-CD1 4.37Å
155V93.9Very high89.6Confident33 Ų3356.4 Ų56.420%0.229%0.288CS..EExtended strand (participates in β ladder)trans-114-14.8-178.7-64.80000113.2P123 I144 D146 K153 M179 E182P123-V155 HydrophobicContact CG-CG2 3.65Å; I144-V155 HydrophobicContact CB-CG2 4.23Å; I144-V155 HydrophobicContact CG2-CG2 3.8Å; I144-V155 VanDerWaalsContact O-CG2 3.31Å; I144-V155 WeakPolarHBondContact O-CG2 3.25Å; I144-V155 PolarHBondContact O-N 3.17Å; D146-V155 HydrophobicContact CB-CG1 4.24Å; K153-V155 PolarHBondContact O-N 3.36Å; V155-M179 HydrophobicContact CG2-CE 4.32Å; V155-E182 PolarHBondContact O-N 3.49Å; V155-E182 VanDerWaalsContact O-N 3.15Å
156G92.1Very high89.2Confident0 Ų058.7 Ų58.70%030%0.3CS..EExtended strand (participates in β ladder)trans-178.7-179.2178.300000114I144 L154 T180I144-G156 PolarHBondContact N-O 3Å; I144-G156 PolarHBondContact O-N 3.27Å; L154-G156 WeakPolarHBondContact CD1-O 3.4Å; G156-T180 CarbonylContact C-O 3.22Å; G156-T180 WeakPolarHBondContact CA-O 3.36Å
157I91.6Very high88.9Confident18 Ų1861.7 Ų61.79%0.09231%0.309CS..EExtended strand (participates in β ladder)trans-137.9144.1167-159.7171.9000109I142 T180 L185 K209 P211 I222I142-I157 WeakPolarHBondContact O-CG1 3.23Å; I157-T180 PolarHBondContact N-O 3.28Å; I157-T180 PolarHBondContact O-N 3.09Å; I157-L185 HydrophobicContact CB-CD1 4.45Å; I157-L185 HydrophobicContact CB-CD2 4.24Å; I157-L185 HydrophobicContact CG2-CD2 3.47Å; I157-L185 VanDerWaalsContact CG2-CD2 3.47Å; I157-K209 HydrophobicContact CD1-CB 3.86Å; I157-K209 HydrophobicContact CD1-CD 4.27Å; I157-P211 HydrophobicContact CD1-CG 4.43Å; I157-I222 HydrophobicContact CD1-CD1 3.97Å
158I91.1Very high88.4Confident0 Ų065.6 Ų65.60%033%0.325CS..EExtended strand (participates in β ladder)trans-111.5144.2168.5-159.2161.6000110.1V130 C140 G141 I142 I144 D162 I163 L175 V178V130-I158 HydrophobicContact CG1-CG2 4.2Å; V130-I158 HydrophobicContact CG2-CD1 4.34Å; V130-I158 HydrophobicContact CG2-CG2 4.05Å; C140-I158 VanDerWaalsContact O-O 3.1Å; G141-I158 CarbonylContact C-O 3.5Å; G141-I158 WeakPolarHBondContact CA-O 3.17Å; I142-I158 HydrophobicContact CB-CG2 3.9Å; I142-I158 PolarHBondContact N-O 3.4Å; I142-I158 PolarHBondContact O-N 2.91Å; I144-I158 HydrophobicContact CD1-CG2 4.19Å; I158-D162 HydrophobicContact CG1-CB 4.11Å; I158-I163 HydrophobicContact CD1-CG2 3.58Å; I158-I163 HydrophobicContact CG1-CG2 4Å; I158-L175 HydrophobicContact CD1-CD2 3.58Å; I158-V178 HydrophobicContact CD1-CG1 4.27Å
159S89.2Confident88.1Confident35 Ų3572.5 Ų72.525%0.24535%0.352CS..  trans-135.2171.2-18079.20000111R161 D162S159-R161 PolarHBondContact O-N 2.98Å; S159-R161 PolarHBondContact OG-N 3.13Å; S159-D162 WeakPolarHBondContact CA-OD2 3.48Å; S159-D162 WeakPolarHBondContact CB-OD2 3.38Å; S159-D162 PolarHBondContact N-OD2 2.9Å; S159-D162 PolarHBondContact O-N 3.24Å; S159-D162 VanDerWaalsContact O-N 3.16Å; S159-D162 PolarHBondContact OG-OD2 2.98Å
160S86.4Confident87.9Confident41 Ų4168.2 Ų68.229%0.28734%0.335SS..Hα-helixtrans-57.5-35.1176.9-52.70000112.5C140 D162 I163 D164C140-S160 WeakPolarHBondContact CB-OG 3.29Å; S160-D162 PolarHBondContact O-N 3.41Å; S160-I163 PolarHBondContact O-N 2.81Å; S160-I163 VanDerWaalsContact O-N 3.15Å; S160-D164 WeakPolarHBondContact CB-OD2 3.32Å; S160-D164 VanDerWaalsContact O-CB 3.24Å; S160-D164 WeakPolarHBondContact O-CB 3.46Å; S160-D164 PolarHBondContact O-N 3.15Å
161R86.1Confident87.8Confident200 Ų20067.9 Ų67.976%0.75533%0.333SS*.Hα-helixtrans-63.6-26.9-178.2-64.5-179.6-178.2178.9-2.1113.2S159S159-R161 PolarHBondContact O-N 2.98Å; S159-R161 PolarHBondContact OG-N 3.13Å
162D86.1Confident87.9Confident44 Ų4469.9 Ų69.924%0.23533%0.333CS..Hα-helixtrans-82.5-21.9-176.6-47.2-49.1000111.1I158 S159 S160 V178I158-D162 HydrophobicContact CG1-CB 4.11Å; S159-D162 WeakPolarHBondContact CA-OD2 3.48Å; S159-D162 WeakPolarHBondContact CB-OD2 3.38Å; S159-D162 PolarHBondContact N-OD2 2.9Å; S159-D162 PolarHBondContact O-N 3.24Å; S159-D162 VanDerWaalsContact O-N 3.16Å; S159-D162 PolarHBondContact OG-OD2 2.98Å; S160-D162 PolarHBondContact O-N 3.41Å; D162-V178 HydrophobicContact CB-CG1 4.19Å; D162-V178 WeakPolarHBondContact O-CG1 3.35Å
163I86.3Confident87.9Confident1 Ų172.2 Ų72.21%0.00535%0.345CS..Hα-helixtrans-118.2-18.1-174.370.1171.6000115.1V127 V130 F131 C140 I158 S160 F165 L166 V178V127-I163 HydrophobicContact CG1-CB 4.34Å; V127-I163 HydrophobicContact CG1-CG2 4.03Å; V130-I163 HydrophobicContact CG1-CD1 3.79Å; F131-I163 HydrophobicContact CD1-CD1 4.08Å; F131-I163 HydrophobicContact CE1-CD1 3.7Å; F131-I163 HydrophobicContact CE1-CG1 4.22Å; F131-I163 HydrophobicContact CE2-CD1 4.33Å; F131-I163 HydrophobicContact CZ-CB 4.14Å; F131-I163 HydrophobicContact CZ-CD1 3.84Å; F131-I163 HydrophobicContact CZ-CG1 4.1Å; C140-I163 WeakPolarHBondContact SG-CD1 3.49Å; I158-I163 HydrophobicContact CD1-CG2 3.58Å; I158-I163 HydrophobicContact CG1-CG2 4Å; S160-I163 PolarHBondContact O-N 2.81Å; S160-I163 VanDerWaalsContact O-N 3.15Å; I163-F165 PolarHBondContact O-N 3.04Å; I163-F165 VanDerWaalsContact O-N 3.14Å; I163-L166 HydrophobicContact CB-CD1 4.08Å; I163-L166 HydrophobicContact CG2-CD1 4.08Å; I163-L166 PolarHBondContact O-N 3.15Å; I163-V178 HydrophobicContact CG2-CG1 4.28Å
164D83.4Confident87.8Confident84 Ų8469.2 Ų69.245%0.44934%0.335SS..THydrogen-bonded Turntrans-64.5-21.2-171-77.9-18.3000113.3K134 S160K134-D164 IonicContact NZ-OD1 2.84Å; K134-D164 PolarHBondContact NZ-OD1 3.07Å; S160-D164 WeakPolarHBondContact CB-OD2 3.32Å; S160-D164 VanDerWaalsContact O-CB 3.24Å; S160-D164 WeakPolarHBondContact O-CB 3.46Å; S160-D164 PolarHBondContact O-N 3.15Å
165F84.4Confident87.7Confident196 Ų19669.1 Ų69.186%0.8633%0.334SS*.THydrogen-bonded Turntrans-112.49.5179.5-61.3-68.7000114.2I163I163-F165 PolarHBondContact O-N 3.04Å; I163-F165 VanDerWaalsContact O-N 3.14Å
166L85.5Confident87.6Confident47 Ų4769.6 Ų69.625%0.24634%0.339CS..  trans-71.8144174.2-68.8177.7000110.4V127 I163 D170 V178V127-L166 HydrophobicContact CG1-CD1 3.83Å; V127-L166 HydrophobicContact CG2-CD1 4.12Å; I163-L166 HydrophobicContact CB-CD1 4.08Å; I163-L166 HydrophobicContact CG2-CD1 4.08Å; I163-L166 PolarHBondContact O-N 3.15Å; L166-D170 HydrophobicContact CB-CB 4.16Å; L166-D170 HydrophobicContact CD2-CB 4.14Å; L166-V178 HydrophobicContact CD1-CG1 3.96Å; L166-V178 HydrophobicContact CD1-CG2 4.42Å
167K86.6Confident87.4Confident145 Ų14576 Ų7663%0.6337%0.369SS*.  trans-79.7160.7174.4-62.1179.4-177.5175.10109.6E169 D170 H171K167-E169 PolarHBondContact O-N 3.43Å; K167-E169 VanDerWaalsContact O-N 3.11Å; K167-D170 PolarHBondContact N-OD2 3.23Å; K167-D170 VanDerWaalsContact N-OD2 3.14Å; K167-D170 WeakPolarHBondContact O-CB 3.36Å; K167-D170 PolarHBondContact O-N 3.42Å; K167-H171 PolarHBondContact O-CD2 2.86Å; K167-H171 VanDerWaalsContact O-CD2 3.25Å
168E81.3Confident87.3Confident166 Ų16676.4 Ų76.478%0.77637%0.372SS*.G310 helixtrans-57.3-29.7177.9-70.4-168.6157.900113.1D170 H171E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 2.97Å; E168-H171 WeakPolarHBondContact O-CB 3.3Å; E168-H171 PolarHBondContact O-N 2.82Å
169E82.6Confident87.3Confident166 Ų16677.6 Ų77.678%0.77638%0.379SS*.G310 helixtrans-62.3-34.1175.4-61172.4-154.300112.1K167 H171K167-E169 PolarHBondContact O-N 3.43Å; K167-E169 VanDerWaalsContact O-N 3.11Å; E169-H171 VanDerWaalsContact C-N 3.3Å; E169-H171 PolarHBondContact O-N 3.17Å
170D85.1Confident87.3Confident52 Ų5278 Ų7828%0.27838%0.38SS..G310 helixtrans-82.7-7.1-176.9-57.1-43.4000112.5L166 K167 E168 N172 L173L166-D170 HydrophobicContact CB-CB 4.16Å; L166-D170 HydrophobicContact CD2-CB 4.14Å; K167-D170 PolarHBondContact N-OD2 3.23Å; K167-D170 VanDerWaalsContact N-OD2 3.14Å; K167-D170 WeakPolarHBondContact O-CB 3.36Å; K167-D170 PolarHBondContact O-N 3.42Å; E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 2.97Å; D170-N172 PolarHBondContact O-N 3.43Å; D170-N172 VanDerWaalsContact O-N 3.1Å; D170-L173 HydrophobicContact CB-CD1 3.82Å; D170-L173 HydrophobicContact CB-CG 4.4Å; D170-L173 WeakPolarHBondContact O-CB 3.45Å; D170-L173 WeakPolarHBondContact O-CG 3.46Å; D170-L173 PolarHBondContact O-N 3.19Å; D170-L173 VanDerWaalsContact O-N 3.07Å
171H86.9Confident87.5Confident49 Ų4981.5 Ų81.523%0.22739%0.39CS..G310 helixtrans-65.9-14.8-179.8-68.6-178.7000113.6R128 F131 K167 E168 E169R128-H171 HydrophobicContact CB-CB 4.44Å; R128-H171 PolarHBondContact N-O 3.35Å; F131-H171 AromaticContact CE2-CD2 3.67Å; F131-H171 AromaticContact CE2-CE1 3.85Å; F131-H171 AromaticContact CE2-NE2 3.41Å; F131-H171 WeakPolarHBondContact CE2-NE2 3.39Å; F131-H171 AromaticContact CZ-NE2 3.92Å; K167-H171 PolarHBondContact O-CD2 2.86Å; K167-H171 VanDerWaalsContact O-CD2 3.25Å; E168-H171 WeakPolarHBondContact O-CB 3.3Å; E168-H171 PolarHBondContact O-N 2.82Å; E169-H171 VanDerWaalsContact C-N 3.3Å; E169-H171 PolarHBondContact O-N 3.17Å
172N89Confident87.5Confident86 Ų8676.3 Ų76.346%0.4637%0.374SS..G310 helixtrans-92.3-6.1176.4-77.7-46.8000114.2R126 D170R126-N172 PolarHBondContact NH1-OD1 3.01Å; D170-N172 PolarHBondContact O-N 3.43Å; D170-N172 VanDerWaalsContact O-N 3.1Å
173L90.4Very high87.4Confident54 Ų5481.5 Ų81.528%0.28340%0.397SS..SBendtrans-64.1146.8177.7-65.4175.3000111.1R126 V127 D170R126-L173 WeakPolarHBondContact CA-O 3.28Å; V127-L173 PolarHBondContact N-O 3.48Å; D170-L173 HydrophobicContact CB-CD1 3.82Å; D170-L173 HydrophobicContact CB-CG 4.4Å; D170-L173 WeakPolarHBondContact O-CB 3.45Å; D170-L173 WeakPolarHBondContact O-CG 3.46Å; D170-L173 PolarHBondContact O-N 3.19Å; D170-L173 VanDerWaalsContact O-N 3.07Å
174P91.9Very high87.3Confident34 Ų3486.2 Ų86.222%0.22142%0.422CS..BIsolated β-bridgetrans-68.4147.517430.3-34.2000110.8E125 S176 E177E125-P174 WeakPolarHBondContact O-CA 3.36Å; P174-S176 PolarHBondContact O-N 3.4Å; P174-S176 VanDerWaalsContact O-N 3.16Å; P174-E177 HydrophobicContact CG-CB 4.5Å; P174-E177 HydrophobicContact CG-CG 3.95Å; P174-E177 WeakPolarHBondContact CG-OE1 3.48Å; P174-E177 PolarHBondContact O-N 3.27Å
175L91.1Very high87.4Confident0 Ų083.7 Ų83.70%041%0.408CS..Hα-helixtrans-60.8-27.1-179.9-66.3179.4000112.8M121 P123 E125 V127 V130 I144 I158 E177 V178 M179M121-L175 HydrophobicContact CB-CD1 3.9Å; M121-L175 HydrophobicContact SD-CD1 4.02Å; P123-L175 PolarHBondContact O-N 2.66Å; E125-L175 HydrophobicContact CB-CD1 3.93Å; E125-L175 WeakPolarHBondContact O-CG 3.36Å; E125-L175 PolarHBondContact O-N 3.06Å; V127-L175 HydrophobicContact CG2-CD2 4.22Å; V130-L175 HydrophobicContact CG2-CD1 3.99Å; V130-L175 HydrophobicContact CG2-CD2 3.52Å; V130-L175 HydrophobicContact CG2-CG 4.42Å; I144-L175 HydrophobicContact CD1-CD1 3.85Å; I158-L175 HydrophobicContact CD1-CD2 3.58Å; L175-E177 PolarHBondContact O-N 3.11Å; L175-V178 PolarHBondContact O-N 3.41Å; L175-M179 VanDerWaalsContact O-CB 3.26Å; L175-M179 WeakPolarHBondContact O-CB 3.35Å; L175-M179 VanDerWaalsContact O-CG 3.27Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 3.23Å
176S91.5Very high87.6Confident43 Ų4377.1 Ų77.130%0.30138%0.384SS..Hα-helixtrans-57.8-27.5176.757.40000114.8P123 P174P123-S176 PolarHBondContact O-N 3.25Å; P123-S176 VanDerWaalsContact O-N 3.09Å; P174-S176 PolarHBondContact O-N 3.4Å; P174-S176 VanDerWaalsContact O-N 3.16Å
177E89.4Confident87.9Confident134 Ų13477.7 Ų77.763%0.62639%0.39SS*.Hα-helixtrans-86-21.5-179.3-71.4178.8-156.200113.2P174 L175P174-E177 HydrophobicContact CG-CB 4.5Å; P174-E177 HydrophobicContact CG-CG 3.95Å; P174-E177 WeakPolarHBondContact CG-OE1 3.48Å; P174-E177 PolarHBondContact O-N 3.27Å; L175-E177 PolarHBondContact O-N 3.11Å
178V89.6Confident88.1Confident27 Ų2770.9 Ų70.916%0.16436%0.36CS..Hα-helixtrans-111.1-27.9-171-176.70000112.4V127 I158 D162 I163 L166 L175V127-V178 HydrophobicContact CG2-CG2 4.05Å; I158-V178 HydrophobicContact CD1-CG1 4.27Å; D162-V178 HydrophobicContact CB-CG1 4.19Å; D162-V178 WeakPolarHBondContact O-CG1 3.35Å; I163-V178 HydrophobicContact CG2-CG1 4.28Å; L166-V178 HydrophobicContact CD1-CG1 3.96Å; L166-V178 HydrophobicContact CD1-CG2 4.42Å; L175-V178 PolarHBondContact O-N 3.41Å
179M90.1Very high88.7Confident26 Ų2667 Ų6713%0.12835%0.35CS..SBendtrans-66.2154.1-175.870.9-177.4-172.800113I144 V155 L175 K181I144-M179 HydrophobicContact CB-SD 3.87Å; I144-M179 HydrophobicContact CG1-CB 4.36Å; I144-M179 HydrophobicContact CG1-SD 3.9Å; I144-M179 HydrophobicContact CG2-SD 3.79Å; V155-M179 HydrophobicContact CG2-CE 4.32Å; L175-M179 VanDerWaalsContact O-CB 3.26Å; L175-M179 WeakPolarHBondContact O-CB 3.35Å; L175-M179 VanDerWaalsContact O-CG 3.27Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 3.23Å; M179-K181 PolarHBondContact O-N 3.38Å
180T89.5Confident89Confident44 Ų4461.6 Ų61.627%0.2733%0.333SS..EExtended strand (participates in β ladder)trans-71.1123.6164.3-56.30000108.7G156 I157 D184 L185G156-T180 CarbonylContact C-O 3.22Å; G156-T180 WeakPolarHBondContact CA-O 3.36Å; I157-T180 PolarHBondContact N-O 3.28Å; I157-T180 PolarHBondContact O-N 3.09Å; T180-D184 HydrophobicContact CG2-CB 3.87Å; T180-L185 HydrophobicContact CG2-CD2 3.61Å; T180-L185 HydrophobicContact CG2-CG 4.42Å
181K90.2Very high89Confident114 Ų11463 Ų6350%0.49636%0.36SS..EExtended strand (participates in β ladder)trans-73.7154.8-177.3-64.4-177.1-179.31790112.3M179 E183 D184 L185M179-K181 PolarHBondContact O-N 3.38Å; K181-E183 HydrophobicContact CB-CG 4.07Å; K181-E183 WeakPolarHBondContact CD-OE1 3.48Å; K181-E183 PolarHBondContact O-N 3.36Å; K181-E183 VanDerWaalsContact O-N 3.11Å; K181-D184 PolarHBondContact O-N 2.86Å; K181-L185 WeakPolarHBondContact O-CG 3.31Å
182E85.7Confident89.1Confident91 Ų9161.6 Ų61.643%0.42536%0.355SS..G310 helixtrans-46.4-40.5178.6-169.4-178.3171.700113.8V155 D184 L185V155-E182 PolarHBondContact O-N 3.49Å; V155-E182 VanDerWaalsContact O-N 3.15Å; E182-D184 VanDerWaalsContact C-N 3.26Å; E182-D184 PolarHBondContact O-N 3.42Å; E182-L185 WeakPolarHBondContact O-CB 3.44Å; E182-L185 PolarHBondContact O-N 2.93Å; E182-L185 VanDerWaalsContact O-N 3.11Å
183E85Confident88.9Confident153 Ų15360.9 Ų60.972%0.71535%0.354SS*.G310 helixtrans-61.7-28.4-179.261.8-167.7160.300114.6K181K181-E183 HydrophobicContact CB-CG 4.07Å; K181-E183 WeakPolarHBondContact CD-OE1 3.48Å; K181-E183 PolarHBondContact O-N 3.36Å; K181-E183 VanDerWaalsContact O-N 3.11Å
184D84.4Confident88.5Confident100 Ų10060.5 Ų60.554%0.53535%0.351SS..G310 helixtrans-97.2-1.6179.8-72.9-48.1000112.8T180 K181 E182T180-D184 HydrophobicContact CG2-CB 3.87Å; K181-D184 PolarHBondContact O-N 2.86Å; E182-D184 VanDerWaalsContact C-N 3.26Å; E182-D184 PolarHBondContact O-N 3.42Å
185L86.3Confident88.1Confident30 Ų3066 Ų6616%0.15737%0.372CS..  trans-85.7134.9-179.6-63.1-175.9000112L154 I157 T180 K181 E182 V187L154-L185 HydrophobicContact CD2-CD1 4.26Å; I157-L185 HydrophobicContact CB-CD1 4.45Å; I157-L185 HydrophobicContact CB-CD2 4.24Å; I157-L185 HydrophobicContact CG2-CD2 3.47Å; I157-L185 VanDerWaalsContact CG2-CD2 3.47Å; T180-L185 HydrophobicContact CG2-CD2 3.61Å; T180-L185 HydrophobicContact CG2-CG 4.42Å; K181-L185 WeakPolarHBondContact O-CG 3.31Å; E182-L185 WeakPolarHBondContact O-CB 3.44Å; E182-L185 PolarHBondContact O-N 2.93Å; E182-L185 VanDerWaalsContact O-N 3.11Å; L185-V187 HydrophobicContact CB-CG1 4.25Å
186V88.6Confident87.9Confident58 Ų5870.5 Ų70.535%0.35239%0.393SS..  trans-88.4120.7161.8-177.70000107.5I200 L210V186-I200 HydrophobicContact CG1-CG2 3.84Å; V186-L210 HydrophobicContact CG1-CD1 4.25Å; V186-L210 WeakPolarHBondContact O-CD1 3.43Å
187V90.9Very high87.7Confident60 Ų6068.5 Ų68.536%0.36438%0.379SS..  trans-118.4157.8177.2-60.40000110.5L154 L185 P211 V213L154-V187 HydrophobicContact CD2-CG1 3.82Å; L185-V187 HydrophobicContact CB-CG1 4.25Å; V187-P211 WeakPolarHBondContact CA-O 3.21Å; V187-P211 HydrophobicContact CG1-CB 4.29Å; V187-V213 HydrophobicContact CB-CG2 4.13Å; V187-V213 HydrophobicContact CG2-CG2 3.97Å
188A91.6Very high87.4Confident1 Ų163.5 Ų63.51%0.00836%0.356CS..EExtended strand (participates in β ladder)trans-115.3147.6172.600000111.1V192 I200 L210 P211 I212 V213A188-V192 HydrophobicContact CB-CG1 4.15Å; A188-I200 HydrophobicContact CB-CD1 4.03Å; A188-L210 HydrophobicContact CB-CD1 4.24Å; A188-L210 HydrophobicContact CB-CD2 4.06Å; A188-L210 HydrophobicContact CB-CG 4.19Å; A188-P211 PolarHBondContact N-O 3.23Å; A188-I212 HydrophobicContact CB-CG1 4.48Å; A188-I212 CarbonylContact O-C 3.49Å; A188-I212 VanDerWaalsContact O-CA 3.27Å; A188-I212 WeakPolarHBondContact O-CA 3.45Å; A188-V213 PolarHBondContact O-N 3.25Å
189P92.3Very high87.3Confident86 Ų8665.6 Ų65.656%0.55836%0.364SS*.EExtended strand (participates in β ladder)trans-72.5150.917730.2-34.8000111.9V192 V213P189-V192 WeakPolarHBondContact O-CB 3.48Å; P189-V192 WeakPolarHBondContact O-CG1 3.37Å; P189-V192 PolarHBondContact O-N 2.84Å; P189-V213 CarbonylContact C-O 3.58Å; P189-V213 WeakPolarHBondContact CA-O 3.39Å
190A89.8Confident87.1Confident51 Ų5166.7 Ų66.742%0.42137%0.37SS..THydrogen-bonded Turntrans-59140.9171.400000111.2V213 N214 V220A190-V213 PolarHBondContact N-O 3.12Å; A190-N214 HydrophobicContact CB-CB 4.49Å; A190-V220 HydrophobicContact CB-CG2 4.44Å
191G84.9Confident87Confident82 Ų8264.7 Ų64.785%0.84536%0.358SS*.THydrogen-bonded Turntrans90.6-2.7-175.700000114.9
192V88.1Confident86.6Confident20 Ų2065.1 Ų65.112%0.12136%0.362CS..  trans-60.1140.8172.568.70000111.4F114 A188 P189 E196 A197 I200 I212F114-V192 HydrophobicContact CE1-CG1 4.25Å; F114-V192 WeakPolarHBondContact CZ-O 3.41Å; A188-V192 HydrophobicContact CB-CG1 4.15Å; P189-V192 WeakPolarHBondContact O-CB 3.48Å; P189-V192 WeakPolarHBondContact O-CG1 3.37Å; P189-V192 PolarHBondContact O-N 2.84Å; V192-E196 HydrophobicContact CG2-CB 3.54Å; V192-A197 HydrophobicContact CG1-CB 4.07Å; V192-A197 HydrophobicContact CG2-CB 4.15Å; V192-I200 HydrophobicContact CG2-CD1 4.49Å; V192-I212 HydrophobicContact CG1-CD1 4.03Å
193T86.3Confident86.6Confident71 Ų7169.9 Ų69.944%0.43638%0.376SS..  trans-75.5154.9173.767.40000110.8K195 E196 A197T193-K195 PolarHBondContact O-N 3.3Å; T193-E196 WeakPolarHBondContact CB-OE2 3.5Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.12Å; T193-E196 PolarHBondContact N-OE2 3.03Å; T193-E196 PolarHBondContact O-N 3.47Å; T193-E196 WeakPolarHBondContact OG1-CB 3.44Å; T193-E196 VanDerWaalsContact OG1-CG 3.23Å; T193-E196 WeakPolarHBondContact OG1-CG 3.46Å; T193-E196 PolarHBondContact OG1-N 2.81Å; T193-E196 PolarHBondContact OG1-OE2 2.93Å; T193-A197 WeakPolarHBondContact O-CB 3.33Å; T193-A197 PolarHBondContact O-N 3.34Å
194L81.6Confident86.3Confident45 Ų4563.8 Ų63.824%0.23635%0.35CS..Hα-helixtrans-59-34.1178-170.766.4000111.7F114 N198 I223 K243F114-L194 HydrophobicContact CD2-CD1 4.24Å; F114-L194 HydrophobicContact CE2-CB 3.8Å; F114-L194 HydrophobicContact CE2-CD1 3.94Å; F114-L194 HydrophobicContact CE2-CG 4.44Å; F114-L194 HydrophobicContact CZ-CB 4.1Å; F114-L194 HydrophobicContact CZ-CD1 4.15Å; L194-N198 VanDerWaalsContact O-CB 3.29Å; L194-N198 WeakPolarHBondContact O-CB 3.22Å; L194-N198 PolarHBondContact O-N 3.29Å; L194-N198 PolarHBondContact O-ND2 3.16Å; L194-I223 HydrophobicContact CD1-CD1 4.21Å; L194-K243 HydrophobicContact CD2-CG 4.34Å
195K83.8Confident85.5Confident150 Ų15066.8 Ų66.865%0.65236%0.358SS*.Hα-helixtrans-64.6-50.3177.9-173.7-178174.4-172.70111.3T193 A197 N198 E199T193-K195 PolarHBondContact O-N 3.3Å; K195-A197 PolarHBondContact O-N 3.27Å; K195-N198 WeakPolarHBondContact O-CB 3.43Å; K195-N198 PolarHBondContact O-N 3.03Å; K195-E199 WeakPolarHBondContact O-CG 3.42Å; K195-E199 PolarHBondContact O-N 2.9Å
196E86.8Confident84.3Confident95 Ų9572.4 Ų72.444%0.44438%0.381SS..Hα-helixtrans-62.4-43.4177.2-70.5160.6158.800111.4V192 T193 N198 E199 I200V192-E196 HydrophobicContact CG2-CB 3.54Å; T193-E196 WeakPolarHBondContact CB-OE2 3.5Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.12Å; T193-E196 PolarHBondContact N-OE2 3.03Å; T193-E196 PolarHBondContact O-N 3.47Å; T193-E196 WeakPolarHBondContact OG1-CB 3.44Å; T193-E196 VanDerWaalsContact OG1-CG 3.23Å; T193-E196 WeakPolarHBondContact OG1-CG 3.46Å; T193-E196 PolarHBondContact OG1-N 2.81Å; T193-E196 PolarHBondContact OG1-OE2 2.93Å; E196-N198 VanDerWaalsContact C-N 3.28Å; E196-N198 PolarHBondContact O-N 2.96Å; E196-E199 WeakPolarHBondContact O-CB 3.44Å; E196-E199 PolarHBondContact O-N 3.48Å; E196-E199 VanDerWaalsContact O-N 3.09Å; E196-I200 WeakPolarHBondContact O-CG1 3.37Å; E196-I200 PolarHBondContact O-N 3.33Å
197A86.3Confident83.1Confident0 Ų071.6 Ų71.60%039%0.385CS..Hα-helixtrans-62.6-37.217800000112.1V192 T193 K195 I200 L201 L210 I223V192-A197 HydrophobicContact CG1-CB 4.07Å; V192-A197 HydrophobicContact CG2-CB 4.15Å; T193-A197 WeakPolarHBondContact O-CB 3.33Å; T193-A197 PolarHBondContact O-N 3.34Å; K195-A197 PolarHBondContact O-N 3.27Å; A197-I200 PolarHBondContact O-N 3.12Å; A197-L201 WeakPolarHBondContact O-CB 3.37Å; A197-L201 PolarHBondContact O-N 3.47Å; A197-L210 HydrophobicContact CB-CD2 4.09Å; A197-L210 VanDerWaalsContact O-CD2 3.28Å; A197-L210 WeakPolarHBondContact O-CD2 3.33Å; A197-I223 HydrophobicContact CB-CD1 3.26Å
198N84.1Confident82.5Confident29 Ų2970.9 Ų70.916%0.15539%0.39CS..Hα-helixtrans-65.7-38173-72.7-27.5000112.5L194 K195 E196 L201 Q202 L228L194-N198 VanDerWaalsContact O-CB 3.29Å; L194-N198 WeakPolarHBondContact O-CB 3.22Å; L194-N198 PolarHBondContact O-N 3.29Å; L194-N198 PolarHBondContact O-ND2 3.16Å; K195-N198 WeakPolarHBondContact O-CB 3.43Å; K195-N198 PolarHBondContact O-N 3.03Å; E196-N198 VanDerWaalsContact C-N 3.28Å; E196-N198 PolarHBondContact O-N 2.96Å; N198-L201 PolarHBondContact O-N 3.29Å; N198-Q202 WeakPolarHBondContact O-CB 3.25Å; N198-Q202 VanDerWaalsContact O-CG 3.26Å; N198-Q202 WeakPolarHBondContact O-CG 3.15Å; N198-Q202 PolarHBondContact O-N 3.22Å; N198-L228 HydrophobicContact CB-CD1 4.06Å; N198-L228 HydrophobicContact CB-CD2 3.91Å; N198-L228 HydrophobicContact CB-CG 4.46Å; N198-L228 VanDerWaalsContact ND2-CD2 3.34Å; N198-L228 WeakPolarHBondContact ND2-CD2 3.26Å; N198-L228 VanDerWaalsContact OD1-CD2 3.23Å; N198-L228 WeakPolarHBondContact OD1-CD2 3.4Å; N198-L228 WeakPolarHBondContact OD1-CG 3.3Å
199E87.2Confident82.3Confident72 Ų7273 Ų7334%0.33640%0.399SS..Hα-helixtrans-65-42.3173.9-70.6178.9-16000111.7K195 E196 L201 Q202 R203K195-E199 WeakPolarHBondContact O-CG 3.42Å; K195-E199 PolarHBondContact O-N 2.9Å; E196-E199 WeakPolarHBondContact O-CB 3.44Å; E196-E199 PolarHBondContact O-N 3.48Å; E196-E199 VanDerWaalsContact O-N 3.09Å; E199-L201 PolarHBondContact O-N 3.37Å; E199-Q202 PolarHBondContact O-N 3.19Å; E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 VanDerWaalsContact O-CG 3.32Å; E199-R203 WeakPolarHBondContact O-CG 3.44Å; E199-R203 PolarHBondContact O-N 2.75Å; E199-R203 IonicContact OE2-NH2 2.69Å; E199-R203 PolarHBondContact OE2-NH2 3.3Å
200I87.1Confident82.2Confident49 Ų4969 Ų6925%0.25137%0.373SS..Hα-helixtrans-59.2-48.2174.7-66.3167.5000110V186 A188 V192 E196 A197 Q202 R203 S204 L210V186-I200 HydrophobicContact CG1-CG2 3.84Å; A188-I200 HydrophobicContact CB-CD1 4.03Å; V192-I200 HydrophobicContact CG2-CD1 4.49Å; E196-I200 WeakPolarHBondContact O-CG1 3.37Å; E196-I200 PolarHBondContact O-N 3.33Å; A197-I200 PolarHBondContact O-N 3.12Å; I200-Q202 VanDerWaalsContact C-N 3.3Å; I200-Q202 PolarHBondContact O-N 3.27Å; I200-R203 PolarHBondContact O-N 3.39Å; I200-S204 WeakPolarHBondContact O-CB 3.23Å; I200-S204 PolarHBondContact O-N 2.79Å; I200-S204 PolarHBondContact O-OG 3.21Å; I200-L210 HydrophobicContact CB-CD2 4.06Å; I200-L210 HydrophobicContact CG2-CD1 3.86Å; I200-L210 HydrophobicContact CG2-CD2 3.92Å
201L85.5Confident82.3Confident1 Ų166.7 Ų66.71%0.00535%0.353CS..Hα-helixtrans-65.3-31179.8-172.565.8000113A197 N198 E199 S204 L210 I223 R225 L228A197-L201 WeakPolarHBondContact O-CB 3.37Å; A197-L201 PolarHBondContact O-N 3.47Å; N198-L201 PolarHBondContact O-N 3.29Å; E199-L201 PolarHBondContact O-N 3.37Å; L201-S204 PolarHBondContact O-OG 2.85Å; L201-L210 HydrophobicContact CB-CD2 4.34Å; L201-L210 HydrophobicContact CD1-CB 3.92Å; L201-I223 HydrophobicContact CD2-CG2 4.12Å; L201-R225 HydrophobicContact CD1-CB 4.47Å; L201-R225 HydrophobicContact CD2-CB 3.84Å; L201-R225 HydrophobicContact CD2-CG 4.38Å; L201-R225 HydrophobicContact CG-CB 4.28Å; L201-L228 HydrophobicContact CD2-CD1 3.91Å
202Q83Confident82.6Confident124 Ų12463.1 Ų63.158%0.57932%0.315SS*.Hα-helixtrans-73.2-40.3173.7-75.7176.915.500112.5N198 E199 I200N198-Q202 WeakPolarHBondContact O-CB 3.25Å; N198-Q202 VanDerWaalsContact O-CG 3.26Å; N198-Q202 WeakPolarHBondContact O-CG 3.15Å; N198-Q202 PolarHBondContact O-N 3.22Å; E199-Q202 PolarHBondContact O-N 3.19Å; I200-Q202 VanDerWaalsContact C-N 3.3Å; I200-Q202 PolarHBondContact O-N 3.27Å
203R84.8Confident82.9Confident190 Ų19063 Ų6372%0.71731%0.314SS*.Hα-helixtrans-72.3-42.3179.5-72178.2-164.8176.210.5112.3E199 I200 K205E199-R203 WeakPolarHBondContact O-CB 3.46Å; E199-R203 VanDerWaalsContact O-CG 3.32Å; E199-R203 WeakPolarHBondContact O-CG 3.44Å; E199-R203 PolarHBondContact O-N 2.75Å; E199-R203 IonicContact OE2-NH2 2.69Å; E199-R203 PolarHBondContact OE2-NH2 3.3Å; I200-R203 PolarHBondContact O-N 3.39Å; R203-K205 VanDerWaalsContact C-N 3.26Å; R203-K205 PolarHBondContact O-N 3.14Å
204S79.4Confident83.2Confident25 Ų2562 Ų6218%0.17531%0.306CS..Hα-helixtrans-58-42.1-174.9700000110.9I200 L201 K206I200-S204 WeakPolarHBondContact O-CB 3.23Å; I200-S204 PolarHBondContact O-N 2.79Å; I200-S204 PolarHBondContact O-OG 3.21Å; L201-S204 PolarHBondContact O-OG 2.85Å; S204-K206 PolarHBondContact O-N 3.41Å; S204-K206 PolarHBondContact OG-O 2.95Å
205K67.5Low83.6Confident164 Ų16465.9 Ų65.971%0.71334%0.337SS*.  trans54.4-21.4-171.8-63.4-179.4-178.8176.60114.9R203R203-K205 VanDerWaalsContact C-N 3.26Å; R203-K205 PolarHBondContact O-N 3.14Å
206K60.8Low83.9Confident147 Ų14766 Ų6664%0.63934%0.34SS*.SBendtrans-78.7125.5170.3-65.1-175.1175.9-170.50108.4S204S204-K206 PolarHBondContact O-N 3.41Å; S204-K206 PolarHBondContact OG-O 2.95Å
207G63Low84Confident42 Ų4262.2 Ų62.243%0.43333%0.326SS..  trans80.7141.6179.700000114.2
208G78Confident84.3Confident44 Ų4463.2 Ų63.245%0.45433%0.333SS..SBendtrans-84.72.1168.600000113.2R225G208-R225 VanDerWaalsContact O-CB 3.27Å; G208-R225 WeakPolarHBondContact O-CB 3.43Å; G208-R225 PolarHBondContact O-N 3.03Å
209K87.8Confident84.7Confident47 Ų4761.9 Ų61.920%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-143.9149-172-65.9-175.2173.8-172.30110.6G141 I157 I222 I223 A224G141-K209 WeakPolarHBondContact O-CD 3.31Å; G141-K209 PolarHBondContact O-NZ 3.11Å; I157-K209 HydrophobicContact CD1-CB 3.86Å; I157-K209 HydrophobicContact CD1-CD 4.27Å; K209-I222 HydrophobicContact CB-CD1 3.94Å; K209-I222 HydrophobicContact CB-CG1 4.18Å; K209-I222 HydrophobicContact CD-CD1 3.92Å; K209-I222 HydrophobicContact CG-CD1 4.42Å; K209-I223 CarbonylContact C-O 3.38Å; K209-I223 WeakPolarHBondContact CA-O 3.3Å; K209-A224 HydrophobicContact CG-CB 4.38Å
210L90.3Very high84.9Confident1 Ų161.6 Ų61.61%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-125.5105.4179.1176.365.2000109V186 A188 A197 I200 L201 I222 I223V186-L210 HydrophobicContact CG1-CD1 4.25Å; V186-L210 WeakPolarHBondContact O-CD1 3.43Å; A188-L210 HydrophobicContact CB-CD1 4.24Å; A188-L210 HydrophobicContact CB-CD2 4.06Å; A188-L210 HydrophobicContact CB-CG 4.19Å; A197-L210 HydrophobicContact CB-CD2 4.09Å; A197-L210 VanDerWaalsContact O-CD2 3.28Å; A197-L210 WeakPolarHBondContact O-CD2 3.33Å; I200-L210 HydrophobicContact CB-CD2 4.06Å; I200-L210 HydrophobicContact CG2-CD1 3.86Å; I200-L210 HydrophobicContact CG2-CD2 3.92Å; L201-L210 HydrophobicContact CB-CD2 4.34Å; L201-L210 HydrophobicContact CD1-CB 3.92Å; L210-I222 WeakPolarHBondContact O-CA 3.19Å; L210-I223 HydrophobicContact CB-CB 4.42Å; L210-I223 PolarHBondContact N-O 3.3Å; L210-I223 PolarHBondContact O-N 3.26Å
211P92.1Very high85.1Confident2 Ų259.5 Ų59.51%0.01332%0.319CS..EExtended strand (participates in β ladder)trans-68.5145.4171.3-18.532.9000111.6L154 I157 V187 A188 L219L154-P211 HydrophobicContact CD2-CB 3.5Å; L154-P211 VanDerWaalsContact CD2-CB 3.5Å; L154-P211 HydrophobicContact CD2-CG 3.94Å; I157-P211 HydrophobicContact CD1-CG 4.43Å; V187-P211 WeakPolarHBondContact CA-O 3.21Å; V187-P211 HydrophobicContact CG1-CB 4.29Å; A188-P211 PolarHBondContact N-O 3.23Å; P211-L219 HydrophobicContact CB-CD1 3.96Å
212I91.9Very high85.3Confident7 Ų759.7 Ų59.74%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-115.5123.4176.3-53.4-172.1000108.5F114 A188 V192 V220 A221 I223F114-I212 HydrophobicContact CD1-CD1 3.29Å; F114-I212 HydrophobicContact CE1-CD1 3.23Å; A188-I212 HydrophobicContact CB-CG1 4.48Å; A188-I212 CarbonylContact O-C 3.49Å; A188-I212 VanDerWaalsContact O-CA 3.27Å; A188-I212 WeakPolarHBondContact O-CA 3.45Å; V192-I212 HydrophobicContact CG1-CD1 4.03Å; I212-V220 PolarHBondContact O-N 3.44Å; I212-A221 HydrophobicContact CB-CB 4.22Å; I212-A221 WeakPolarHBondContact CB-O 3.36Å; I212-A221 HydrophobicContact CD1-CB 4.2Å; I212-A221 HydrophobicContact CG1-CB 4.46Å; I212-A221 PolarHBondContact N-O 3Å; I212-A221 PolarHBondContact O-N 2.47Å; I212-I223 HydrophobicContact CD1-CD1 3.88Å; I212-I223 HydrophobicContact CD1-CG1 4.23Å
213V93.5Very high85.5Confident18 Ų1854 Ų5411%0.10929%0.294CS..EExtended strand (participates in β ladder)trans-121.1148.2-174.2-62.30000111.5L154 V187 A188 P189 A190 S218L154-V213 HydrophobicContact CB-CG1 4.11Å; L154-V213 HydrophobicContact CD2-CG1 3.82Å; V187-V213 HydrophobicContact CB-CG2 4.13Å; V187-V213 HydrophobicContact CG2-CG2 3.97Å; A188-V213 PolarHBondContact O-N 3.25Å; P189-V213 CarbonylContact C-O 3.58Å; P189-V213 WeakPolarHBondContact CA-O 3.39Å; A190-V213 PolarHBondContact N-O 3.12Å; V213-S218 CarbonylContact C-O 3.36Å; V213-S218 WeakPolarHBondContact CA-O 3.46Å
214N93Very high85.6Confident50 Ų5045.2 Ų45.227%0.26726%0.262SS..  trans-77.8-177.3170.871.43000111.1A190 E216 G217 S218 V220A190-N214 HydrophobicContact CB-CB 4.49Å; N214-E216 PolarHBondContact O-N 2.93Å; N214-E216 WeakPolarHBondContact OD1-CA 3.42Å; N214-E216 PolarHBondContact OD1-N 3.15Å; N214-G217 PolarHBondContact O-N 3.04Å; N214-G217 VanDerWaalsContact O-N 3.12Å; N214-G217 PolarHBondContact OD1-N 3.06Å; N214-G217 VanDerWaalsContact OD1-N 3.14Å; N214-S218 PolarHBondContact N-O 2.7Å; N214-S218 WeakPolarHBondContact OD1-CB 3.37Å; N214-S218 PolarHBondContact OD1-N 3.09Å; N214-V220 HydrophobicContact CB-CG2 3.96Å
215S90.5Very high85.9Confident127 Ų12749 Ų4989%0.88827%0.272SS*.THydrogen-bonded Turntrans-61.9-19.717849.30000114.5
216E89.4Confident86.6Confident151 Ų15145 Ų4571%0.70626%0.262SS*.THydrogen-bonded Turntrans-93.2-1.5179.7-61.3178174.700112.5N214 S218N214-E216 PolarHBondContact O-N 2.93Å; N214-E216 WeakPolarHBondContact OD1-CA 3.42Å; N214-E216 PolarHBondContact OD1-N 3.15Å; E216-S218 VanDerWaalsContact C-N 3.34Å
217G88.6Confident87.7Confident16 Ų1638.6 Ų38.617%0.16523%0.234CC..SBendtrans81.410.2-176.400000114.3L154 N214L154-G217 PolarHBondContact N-O 3.4Å; N214-G217 PolarHBondContact O-N 3.04Å; N214-G217 VanDerWaalsContact O-N 3.12Å; N214-G217 PolarHBondContact OD1-N 3.06Å; N214-G217 VanDerWaalsContact OD1-N 3.14Å
218S92.8Very high88.6Confident21 Ų2138.4 Ų38.415%0.14722%0.223CC..BIsolated β-bridgetrans-78.7138.8176.1-67.60000112.2G151 G152 V213 N214 E216 V220G151-S218 WeakPolarHBondContact O-CB 3.45Å; G151-S218 PolarHBondContact O-OG 3.35Å; G152-S218 VanDerWaalsContact O-CA 3.32Å; G152-S218 WeakPolarHBondContact O-CA 3.42Å; V213-S218 CarbonylContact C-O 3.36Å; V213-S218 WeakPolarHBondContact CA-O 3.46Å; N214-S218 PolarHBondContact N-O 2.7Å; N214-S218 WeakPolarHBondContact OD1-CB 3.37Å; N214-S218 PolarHBondContact OD1-N 3.09Å; E216-S218 VanDerWaalsContact C-N 3.34Å; S218-V220 PolarHBondContact O-N 3.46Å
219L92.2Very high88.9Confident2 Ų241.6 Ų41.61%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-70.3122.6179-178.368.4000111.5P118 V120 P143 T145 M150 G151 G152 L154 P211 A221P118-L219 HydrophobicContact CG-CD2 4.39Å; V120-L219 HydrophobicContact CG1-CD2 3.72Å; P143-L219 HydrophobicContact CB-CD2 3.69Å; P143-L219 HydrophobicContact CG-CD2 3.68Å; T145-L219 HydrophobicContact CG2-CB 4.14Å; T145-L219 HydrophobicContact CG2-CD2 4.13Å; M150-L219 HydrophobicContact CE-CD2 4.35Å; M150-L219 HydrophobicContact CE-CG 4.2Å; M150-L219 HydrophobicContact SD-CD2 3.68Å; M150-L219 HydrophobicContact SD-CG 4.16Å; G151-L219 WeakPolarHBondContact CA-O 3.23Å; G151-L219 PolarHBondContact N-O 2.96Å; G152-L219 PolarHBondContact O-N 3.21Å; L154-L219 HydrophobicContact CD1-CD1 4.37Å; P211-L219 HydrophobicContact CB-CD1 3.96Å; L219-A221 WeakPolarHBondContact CD1-O 2.98Å
220V91.7Very high88.9Confident66 Ų6641 Ų4140%0.422%0.222SC..EExtended strand (participates in β ladder)trans-105.8-42.3178.2-178.60000111.5A190 I212 N214 S218A190-V220 HydrophobicContact CB-CG2 4.44Å; I212-V220 PolarHBondContact O-N 3.44Å; N214-V220 HydrophobicContact CB-CG2 3.96Å; S218-V220 PolarHBondContact O-N 3.46Å
221A90.6Very high88.6Confident5 Ų544.3 Ų44.34%0.04124%0.239CC..EExtended strand (participates in β ladder)trans-157.4170.9-179.100000111.5F114 I115 I212 L219F114-A221 HydrophobicContact CB-CB 4.49Å; I115-A221 CarbonylContact O-C 3.59Å; I115-A221 WeakPolarHBondContact O-CA 3.43Å; I115-A221 WeakPolarHBondContact O-CB 3.3Å; I212-A221 HydrophobicContact CB-CB 4.22Å; I212-A221 WeakPolarHBondContact CB-O 3.36Å; I212-A221 HydrophobicContact CD1-CB 4.2Å; I212-A221 HydrophobicContact CG1-CB 4.46Å; I212-A221 PolarHBondContact N-O 3Å; I212-A221 PolarHBondContact O-N 2.47Å; L219-A221 WeakPolarHBondContact CD1-O 2.98Å
222I89.8Confident88.3Confident5 Ų552.5 Ų52.53%0.02627%0.27CS..EExtended strand (participates in β ladder)trans-136147.3171.3-167.2167.7000110.5I115 P118 P143 I157 K209 L210I115-I222 HydrophobicContact CB-CG2 3.68Å; I115-I222 VanDerWaalsContact CB-O 3.26Å; I115-I222 WeakPolarHBondContact CB-O 3.46Å; I115-I222 HydrophobicContact CD1-CG2 3.94Å; I115-I222 HydrophobicContact CG1-CG2 4.39Å; I115-I222 HydrophobicContact CG2-CG2 3.99Å; I115-I222 PolarHBondContact N-O 3.2Å; I115-I222 PolarHBondContact O-N 2.62Å; P118-I222 HydrophobicContact CB-CG2 3.64Å; P118-I222 HydrophobicContact CG-CG2 3.89Å; P143-I222 HydrophobicContact CB-CD1 4.47Å; P143-I222 HydrophobicContact CG-CD1 4.16Å; I157-I222 HydrophobicContact CD1-CD1 3.97Å; K209-I222 HydrophobicContact CB-CD1 3.94Å; K209-I222 HydrophobicContact CB-CG1 4.18Å; K209-I222 HydrophobicContact CD-CD1 3.92Å; K209-I222 HydrophobicContact CG-CD1 4.42Å; L210-I222 WeakPolarHBondContact O-CA 3.19Å
223I88.3Confident88.2Confident3 Ų356.3 Ų56.32%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-115.4141.2172.7-65.9165.3000108.7F114 L194 A197 L201 K209 L210 I212F114-I223 HydrophobicContact CD1-CD1 3.79Å; F114-I223 HydrophobicContact CD1-CG1 3.89Å; F114-I223 HydrophobicContact CE1-CD1 3.56Å; F114-I223 HydrophobicContact CE1-CG1 4.2Å; F114-I223 HydrophobicContact CZ-CD1 4.34Å; L194-I223 HydrophobicContact CD1-CD1 4.21Å; A197-I223 HydrophobicContact CB-CD1 3.26Å; L201-I223 HydrophobicContact CD2-CG2 4.12Å; K209-I223 CarbonylContact C-O 3.38Å; K209-I223 WeakPolarHBondContact CA-O 3.3Å; L210-I223 HydrophobicContact CB-CB 4.42Å; L210-I223 PolarHBondContact N-O 3.3Å; L210-I223 PolarHBondContact O-N 3.26Å; I212-I223 HydrophobicContact CD1-CD1 3.88Å; I212-I223 HydrophobicContact CD1-CG1 4.23Å
224A86.9Confident88.1Confident6 Ų658 Ų585%0.0530%0.297CS..EExtended strand (participates in β ladder)trans-110.1137.9175.700000112.4K209 T226 D227K209-A224 HydrophobicContact CG-CB 4.38Å; A224-T226 WeakPolarHBondContact CB-OG1 3.19Å; A224-T226 PolarHBondContact O-N 2.87Å; A224-D227 PolarHBondContact O-N 3Å; A224-D227 VanDerWaalsContact O-N 3.08Å
225R84.4Confident88Confident106 Ų10660.9 Ų60.940%0.432%0.318SS..Hα-helixtrans-65.2-24.1176-171.1175.5179.3-177.21.5112.5L201 G208 D227 L228 K229L201-R225 HydrophobicContact CD1-CB 4.47Å; L201-R225 HydrophobicContact CD2-CB 3.84Å; L201-R225 HydrophobicContact CD2-CG 4.38Å; L201-R225 HydrophobicContact CG-CB 4.28Å; G208-R225 VanDerWaalsContact O-CB 3.27Å; G208-R225 WeakPolarHBondContact O-CB 3.43Å; G208-R225 PolarHBondContact O-N 3.03Å; R225-D227 PolarHBondContact O-N 3.3Å; R225-L228 WeakPolarHBondContact O-CB 3.42Å; R225-L228 PolarHBondContact O-N 2.89Å; R225-K229 PolarHBondContact O-N 3.45Å
226T83.4Confident88.1Confident79 Ų7958.5 Ų58.549%0.48530%0.295SS..Hα-helixtrans-60.9-34.5173.545.80000111.7A224 K229 K230A224-T226 WeakPolarHBondContact CB-OG1 3.19Å; A224-T226 PolarHBondContact O-N 2.87Å; T226-K229 PolarHBondContact O-N 2.95Å; T226-K230 WeakPolarHBondContact O-CG 3.34Å; T226-K230 PolarHBondContact O-N 3.42Å
227D83.1Confident88.3Confident13 Ų1352 Ų527%0.0727%0.267CS..Hα-helixtrans-73.9-34.1-178.5-57.9-27.8000110.8E111 A224 R225 K229 K230 N231E111-D227 HydrophobicContact CG-CB 4.1Å; A224-D227 PolarHBondContact O-N 3Å; A224-D227 VanDerWaalsContact O-N 3.08Å; R225-D227 PolarHBondContact O-N 3.3Å; D227-K229 PolarHBondContact O-N 3.44Å; D227-K230 PolarHBondContact O-N 3.13Å; D227-K230 IonicContact OD1-NZ 2.66Å; D227-N231 WeakPolarHBondContact O-CB 3.15Å; D227-N231 PolarHBondContact O-N 3.16Å; D227-N231 PolarHBondContact O-ND2 3.11Å
228L81.4Confident88.5Confident37 Ų3751.5 Ų51.519%0.19426%0.261CS..Hα-helixtrans-59.6-43.7167.7-83.6-178.8000113.1N198 L201 R225 N231 R232N198-L228 HydrophobicContact CB-CD1 4.06Å; N198-L228 HydrophobicContact CB-CD2 3.91Å; N198-L228 HydrophobicContact CB-CG 4.46Å; N198-L228 VanDerWaalsContact ND2-CD2 3.34Å; N198-L228 WeakPolarHBondContact ND2-CD2 3.26Å; N198-L228 VanDerWaalsContact OD1-CD2 3.23Å; N198-L228 WeakPolarHBondContact OD1-CD2 3.4Å; N198-L228 WeakPolarHBondContact OD1-CG 3.3Å; L201-L228 HydrophobicContact CD2-CD1 3.91Å; R225-L228 WeakPolarHBondContact O-CB 3.42Å; R225-L228 PolarHBondContact O-N 2.89Å; L228-N231 PolarHBondContact O-N 2.8Å; L228-R232 PolarHBondContact O-N 2.9Å
229K85.5Confident88.5Confident112 Ų11252.8 Ų52.849%0.48726%0.264SS..Hα-helixtrans-64.5-46.8177.1-71.1-175.1176.4-173.50110.9R225 T226 D227 N231 R232 D233R225-K229 PolarHBondContact O-N 3.45Å; T226-K229 PolarHBondContact O-N 2.95Å; D227-K229 PolarHBondContact O-N 3.44Å; K229-N231 VanDerWaalsContact C-N 3.33Å; K229-N231 PolarHBondContact O-N 3.04Å; K229-R232 WeakPolarHBondContact O-CB 3.26Å; K229-R232 PolarHBondContact O-N 3.2Å; K229-R232 VanDerWaalsContact O-N 3.12Å; K229-D233 WeakPolarHBondContact O-CB 3.41Å; K229-D233 PolarHBondContact O-N 3.09Å
230K86.6Confident88.5Confident35 Ų3553.6 Ų53.615%0.15227%0.268CS..Hα-helixtrans-56.6-45.3176.4-71.6170.7-176.6171.70111.8Y110 E111 T226 D227 R232 D233 F234Y110-K230 HydrophobicContact CD1-CD 4.36Å; Y110-K230 HydrophobicContact CE1-CD 3.78Å; Y110-K230 VanDerWaalsContact CE1-NZ 3.32Å; Y110-K230 PolarHBondContact O-NZ 3.39Å; E111-K230 HydrophobicContact CG-CD 4.33Å; T226-K230 WeakPolarHBondContact O-CG 3.34Å; T226-K230 PolarHBondContact O-N 3.42Å; D227-K230 PolarHBondContact O-N 3.13Å; D227-K230 IonicContact OD1-NZ 2.66Å; K230-R232 VanDerWaalsContact C-N 3.31Å; K230-R232 PolarHBondContact O-N 2.93Å; K230-D233 PolarHBondContact O-N 3.13Å; K230-F234 WeakPolarHBondContact O-CB 3.48Å; K230-F234 PolarHBondContact O-N 3.34Å
231N85.6Confident88.2Confident69 Ų6956.2 Ų56.237%0.36929%0.289SS..Hα-helixtrans-58.9-40.5176.1-84.8-70.9000113.3E111 D227 L228 K229 F234 K239E111-N231 VanDerWaalsContact OE1-CG 3.25Å; E111-N231 PolarHBondContact OE1-ND2 3.44Å; E111-N231 PolarHBondContact OE1-OD1 3.27Å; D227-N231 WeakPolarHBondContact O-CB 3.15Å; D227-N231 PolarHBondContact O-N 3.16Å; D227-N231 PolarHBondContact O-ND2 3.11Å; L228-N231 PolarHBondContact O-N 2.8Å; K229-N231 VanDerWaalsContact C-N 3.33Å; K229-N231 PolarHBondContact O-N 3.04Å; N231-F234 CarbonylContact O-C 3.57Å; N231-K239 PolarHBondContact OD1-NZ 3.38Å
232R86.1Confident87.9Confident175 Ų17562.9 Ų62.966%0.6631%0.314SS*.Hα-helixtrans-70.2-43.9177.8-177.2-163.866.1177.61.4111.5L228 K229 K230 F234L228-R232 PolarHBondContact O-N 2.9Å; K229-R232 WeakPolarHBondContact O-CB 3.26Å; K229-R232 PolarHBondContact O-N 3.2Å; K229-R232 VanDerWaalsContact O-N 3.12Å; K230-R232 VanDerWaalsContact C-N 3.31Å; K230-R232 PolarHBondContact O-N 2.93Å; R232-F234 VanDerWaalsContact C-N 3.33Å
233D88.4Confident87.7Confident87 Ų8767.9 Ų67.947%0.46534%0.335SS..Hα-helixtrans-75.6-26.1-175.6-58.3-15.3000111.3K229 K230 P235K229-D233 WeakPolarHBondContact O-CB 3.41Å; K229-D233 PolarHBondContact O-N 3.09Å; K230-D233 PolarHBondContact O-N 3.13Å; D233-P235 WeakPolarHBondContact O-CD 3.37Å
234F91.8Very high87.9Confident54 Ų5469.1 Ų69.124%0.23734%0.341CS..  trans-125.974.1179.4-61.6-74.6000112L84 K230 N231 R232 L236 A237 H456L84-F234 HydrophobicContact CB-CB 4.38Å; L84-F234 HydrophobicContact CB-CD1 3.98Å; L84-F234 HydrophobicContact CB-CD2 4.35Å; L84-F234 HydrophobicContact CB-CE1 4.35Å; L84-F234 HydrophobicContact CB-CG 3.97Å; L84-F234 HydrophobicContact CD1-CD2 4.34Å; L84-F234 HydrophobicContact CD1-CE2 4.19Å; L84-F234 HydrophobicContact CD1-CZ 4.48Å; L84-F234 HydrophobicContact CD2-CB 4.23Å; L84-F234 HydrophobicContact CD2-CD2 3.94Å; L84-F234 HydrophobicContact CD2-CG 4.13Å; L84-F234 HydrophobicContact CG-CD2 4.45Å; L84-F234 WeakPolarHBondContact O-CB 3.24Å; K230-F234 WeakPolarHBondContact O-CB 3.48Å; K230-F234 PolarHBondContact O-N 3.34Å; N231-F234 CarbonylContact O-C 3.57Å; R232-F234 VanDerWaalsContact C-N 3.33Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.16Å; F234-A237 HydrophobicContact CB-CB 4.25Å; F234-A237 WeakPolarHBondContact O-CB 3.15Å; F234-A237 PolarHBondContact O-N 2.91Å; F234-H456 AromaticContact CE1-CE1 3.96Å; F234-H456 AromaticContact CE1-ND1 3.6Å; F234-H456 AromaticContact CZ-CE1 3.81Å; F234-H456 AromaticContact CZ-ND1 3.8Å
235P90.2Very high88.2Confident110 Ų11068.8 Ų68.871%0.71434%0.338SS*.THydrogen-bonded Turntrans-69.9-23.5-175.527.6-35.5000113.8D233 A237D233-P235 WeakPolarHBondContact O-CD 3.37Å; P235-A237 VanDerWaalsContact C-N 3.33Å
236L92.9Very high88.8Confident77 Ų7764.2 Ų64.240%0.40332%0.322SS..THydrogen-bonded Turntrans-88.83.7-179.9-61.8-179.7000113.4K62 T63 G86 F234 S238 L463K62-L236 HydrophobicContact CB-CB 4.29Å; K62-L236 HydrophobicContact CB-CD2 4.45Å; T63-L236 HydrophobicContact CG2-CD1 4.42Å; G86-L236 WeakPolarHBondContact CA-O 3.48Å; F234-L236 VanDerWaalsContact C-N 3.29Å; F234-L236 PolarHBondContact O-N 3.16Å; L236-S238 PolarHBondContact O-N 3.09Å; L236-L463 HydrophobicContact CD1-CD2 3.94Å
237A94.1Very high89.4Confident15 Ų1560.4 Ų60.412%0.12430%0.298CS..  trans-57.3132.6-172.300000113.5A83 L84 F234 P235 K239 L245A83-A237 CarbonylContact O-C 3.58Å; A83-A237 VanDerWaalsContact O-CA 3.3Å; A83-A237 WeakPolarHBondContact O-CA 3.34Å; L84-A237 WeakPolarHBondContact O-CA 3.43Å; L84-A237 WeakPolarHBondContact O-CB 3.33Å; F234-A237 HydrophobicContact CB-CB 4.25Å; F234-A237 WeakPolarHBondContact O-CB 3.15Å; F234-A237 PolarHBondContact O-N 2.91Å; P235-A237 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 3.38Å; A237-L245 HydrophobicContact CB-CD2 4.43Å
238S93.8Very high90.1Very high5 Ų559.8 Ų59.84%0.03530%0.295CS..  trans-77.4113.5178.7-78.50000111A83 G86 G87 L236 L245 L246A83-S238 PolarHBondContact O-N 3.2Å; G86-S238 WeakPolarHBondContact CA-OG 3.36Å; G86-S238 PolarHBondContact O-OG 3.12Å; G87-S238 WeakPolarHBondContact O-CB 3.31Å; G87-S238 PolarHBondContact O-OG 3.4Å; L236-S238 PolarHBondContact O-N 3.09Å; S238-L245 WeakPolarHBondContact O-CA 3.34Å; S238-L246 PolarHBondContact O-N 3.45Å
239K92.5Very high90.9Very high47 Ų4758 Ų5820%0.20429%0.286CS..BIsolated β-bridgetrans-132.8149.3-173.9-59.2178.8-163.8-170.60112.5E111 N231 A237 Q244 L245E111-K239 IonicContact OE1-NZ 3.19Å; E111-K239 PolarHBondContact OE1-NZ 3.19Å; E111-K239 IonicContact OE2-NZ 2.86Å; E111-K239 PolarHBondContact OE2-NZ 2.93Å; N231-K239 PolarHBondContact OD1-NZ 3.38Å; A237-K239 PolarHBondContact O-N 3.38Å; K239-Q244 CarbonylContact C-O 3.58Å; K239-Q244 WeakPolarHBondContact CA-O 3.45Å; K239-Q244 WeakPolarHBondContact CB-O 3.47Å; K239-L245 HydrophobicContact CG-CD2 4.27Å
240D90.8Very high91.5Very high20 Ų2052.7 Ų52.711%0.10726%0.263CS..  trans-77.5179.1170.471.714.1000112.2K108 R242 K243 Q244 L246K108-D240 IonicContact NZ-OD2 2.72Å; K108-D240 PolarHBondContact NZ-OD2 2.92Å; D240-R242 PolarHBondContact O-N 3.21Å; D240-R242 VanDerWaalsContact OD1-C 3.25Å; D240-R242 VanDerWaalsContact OD1-CA 3.27Å; D240-R242 WeakPolarHBondContact OD1-CA 3.46Å; D240-R242 WeakPolarHBondContact OD1-CB 3.47Å; D240-R242 PolarHBondContact OD1-N 3.34Å; D240-R242 IonicContact OD2-NE 3.37Å; D240-R242 IonicContact OD2-NH2 3.61Å; D240-K243 PolarHBondContact O-N 3.16Å; D240-K243 PolarHBondContact OD1-N 2.71Å; D240-Q244 PolarHBondContact N-O 2.96Å; D240-Q244 PolarHBondContact OD1-N 3.06Å; D240-L246 HydrophobicContact CB-CD2 3.93Å
241S86.2Confident92Very high120 Ų12051 Ų5184%0.83926%0.255SS*.THydrogen-bonded Turntrans-60.6-25.3177.354.60000113.5K243S241-K243 VanDerWaalsContact C-N 3.29Å
242R84.2Confident92.4Very high146 Ų14647.9 Ų47.955%0.55124%0.239SC*.THydrogen-bonded Turntrans-88.66.8176.6-59.5179.2-64.6-168.4-3.7112.9D240 Q244D240-R242 PolarHBondContact O-N 3.21Å; D240-R242 VanDerWaalsContact OD1-C 3.25Å; D240-R242 VanDerWaalsContact OD1-CA 3.27Å; D240-R242 WeakPolarHBondContact OD1-CA 3.46Å; D240-R242 WeakPolarHBondContact OD1-CB 3.47Å; D240-R242 PolarHBondContact OD1-N 3.34Å; D240-R242 IonicContact OD2-NE 3.37Å; D240-R242 IonicContact OD2-NH2 3.61Å; R242-Q244 HydrophobicContact CB-CG 4.37Å; R242-Q244 PolarHBondContact O-N 2.85Å
243K86.1Confident92.8Very high110 Ų11040.1 Ų40.148%0.47821%0.211SC..SBendtrans64.121.7-176.8-53.6-61.2-177-176.30114L194 D240 S241L194-K243 HydrophobicContact CD2-CG 4.34Å; D240-K243 PolarHBondContact O-N 3.16Å; D240-K243 PolarHBondContact OD1-N 2.71Å; S241-K243 VanDerWaalsContact C-N 3.29Å
244Q91Very high92.8Very high28 Ų2838.2 Ų38.213%0.13120%0.2CC..PPolyproline II helixtrans-87.6149.8170.1-58.5179.8-39.300109.8K108 E111 Q112 K239 D240 R242K108-Q244 PolarHBondContact O-NE2 3.25Å; E111-Q244 WeakPolarHBondContact O-CA 3.46Å; Q112-Q244 HydrophobicContact CG-CG 4.31Å; K239-Q244 CarbonylContact C-O 3.58Å; K239-Q244 WeakPolarHBondContact CA-O 3.45Å; K239-Q244 WeakPolarHBondContact CB-O 3.47Å; D240-Q244 PolarHBondContact N-O 2.96Å; D240-Q244 PolarHBondContact OD1-N 3.06Å; R242-Q244 HydrophobicContact CB-CG 4.37Å; R242-Q244 PolarHBondContact O-N 2.85Å
245L94.8Very high92.7Very high0 Ų041.2 Ų41.20%022%0.218CC..BIsolated β-bridgetrans-58.8143175.3-65.7177.7000111I80 A83 L84 V107 K108 Y110 E111 A237 S238 K239I80-L245 HydrophobicContact CG2-CD1 4.11Å; A83-L245 HydrophobicContact CB-CB 3.91Å; A83-L245 HydrophobicContact CB-CD1 4.33Å; A83-L245 HydrophobicContact CB-CD2 4.08Å; A83-L245 HydrophobicContact CB-CG 4.32Å; L84-L245 HydrophobicContact CD2-CD1 4.22Å; L84-L245 HydrophobicContact CD2-CD2 4.02Å; L84-L245 HydrophobicContact CG-CD1 4.14Å; L84-L245 HydrophobicContact CG-CD2 4.41Å; V107-L245 HydrophobicContact CG1-CB 4.27Å; K108-L245 VanDerWaalsContact CD-O 3.29Å; K108-L245 WeakPolarHBondContact CD-O 3.37Å; K108-L245 WeakPolarHBondContact CE-O 3.42Å; K108-L245 PolarHBondContact NZ-O 2.97Å; Y110-L245 HydrophobicContact CD1-CD1 3.93Å; E111-L245 HydrophobicContact CB-CD1 4.46Å; E111-L245 HydrophobicContact CB-CG 4.18Å; A237-L245 HydrophobicContact CB-CD2 4.43Å; S238-L245 WeakPolarHBondContact O-CA 3.34Å; K239-L245 HydrophobicContact CG-CD2 4.27Å
246L96.2Very high92.7Very high9 Ų942.5 Ų42.55%0.04722%0.219CC..PPolyproline II helixtrans-70.5137.3172.7-67.6-177.7000110.6I59 I88 S238 D240 D270I59-L246 HydrophobicContact CG2-CD1 3.71Å; I88-L246 HydrophobicContact CD1-CB 3.91Å; I88-L246 HydrophobicContact CG1-CB 4.26Å; S238-L246 PolarHBondContact O-N 3.45Å; D240-L246 HydrophobicContact CB-CD2 3.93Å; L246-D270 WeakPolarHBondContact CA-OD2 3.31Å; L246-D270 HydrophobicContact CD2-CB 4.03Å
247C97.3Very high92.7Very high0 Ų039.3 Ų39.30%020%0.202CC..  trans-136.9130.6179-1710000111V107 K108 V269 D270V107-C247 HydrophobicContact CB-CB 4.13Å; V107-C247 HydrophobicContact CG1-CB 3.82Å; K108-C247 HydrophobicContact CD-CB 3.95Å; K108-C247 HydrophobicContact CG-CB 4.49Å; C247-V269 WeakPolarHBondContact O-CG2 3.37Å; C247-D270 PolarHBondContact N-OD2 2.85Å; C247-D270 PolarHBondContact O-N 3.38Å
248G97.6Very high92.8Very high0 Ų041.4 Ų41.40%021%0.209CC..EExtended strand (participates in β ladder)trans-104156.5171.600000112.1G89 F90 I91 V271G89-G248 PolarHBondContact O-N 3.28Å; F90-G248 CarbonylContact C-O 3.55Å; F90-G248 WeakPolarHBondContact CA-O 3.45Å; I91-G248 PolarHBondContact N-O 3.03Å; G248-V271 VanDerWaalsContact CA-O 3.24Å; G248-V271 WeakPolarHBondContact CA-O 3.45Å
249A98.2Very high92.9Very high0 Ų047.1 Ų47.10%023%0.23CC..EExtended strand (participates in β ladder)trans-138.3144.8171.200000111.1V104 L264 V269 V271 V272 V273V104-A249 HydrophobicContact CG2-CB 4.28Å; A249-L264 HydrophobicContact CB-CD1 3.87Å; A249-L264 HydrophobicContact CB-CD2 3.95Å; A249-L264 HydrophobicContact CB-CG 4.49Å; A249-V269 HydrophobicContact CB-CG2 3.87Å; A249-V271 PolarHBondContact N-O 3.03Å; A249-V271 VanDerWaalsContact N-O 3.11Å; A249-V272 CarbonylContact O-C 3.37Å; A249-V272 VanDerWaalsContact O-CA 3.29Å; A249-V272 WeakPolarHBondContact O-CA 3.24Å; A249-V273 PolarHBondContact O-N 3Å
250A97.7Very high93.1Very high0 Ų045.8 Ų45.80%022%0.224CC..EExtended strand (participates in β ladder)trans-86.6148.7169.800000111.2P69 I91 H93 Q100 V273 D275P69-A250 HydrophobicContact CB-CB 3.51Å; P69-A250 HydrophobicContact CG-CB 4.09Å; I91-A250 PolarHBondContact O-N 2.81Å; H93-A250 WeakPolarHBondContact CB-O 3.37Å; Q100-A250 PolarHBondContact NE2-O 3.44Å; A250-V273 CarbonylContact C-O 3.38Å; A250-V273 WeakPolarHBondContact CA-O 3.41Å; A250-V273 HydrophobicContact CB-CG1 3.67Å; A250-D275 HydrophobicContact CB-CB 4.19Å
251I96.9Very high93.5Very high0 Ų044.9 Ų44.90%022%0.219CC..EExtended strand (participates in β ladder)trans-139.2155.8167.862.3174.1000109.2R260 L261 L264 V273 L274 D275 I291I251-R260 HydrophobicContact CG2-CG 4.13Å; I251-L261 HydrophobicContact CD1-CB 4.4Å; I251-L261 HydrophobicContact CD1-CD1 4.2Å; I251-L264 HydrophobicContact CG2-CD1 3.53Å; I251-V273 PolarHBondContact N-O 3.16Å; I251-L274 HydrophobicContact CD1-CD2 3.49Å; I251-L274 VanDerWaalsContact CD1-CD2 3.49Å; I251-L274 HydrophobicContact CG1-CD2 3.4Å; I251-L274 VanDerWaalsContact CG1-CD2 3.4Å; I251-D275 PolarHBondContact O-N 3.12Å; I251-I291 HydrophobicContact CD1-CD1 4.09Å
252G94.6Very high94Very high3 Ų340.7 Ų40.73%0.03119%0.187CC..  trans-78.6-166.5171.500000112.4D257G252-D257 WeakPolarHBondContact CA-OD2 3.38Å; G252-D257 PolarHBondContact N-OD1 2.84Å
253T93.6Very high94.6Very high12 Ų1235.1 Ų35.17%0.07417%0.168CC..SBendtrans-111.98.4-179.656.30000113.7D257 Q284T253-D257 PolarHBondContact N-OD2 2.93Å; T253-Q284 HydrophobicContact CG2-CB 3.83Å; T253-Q284 HydrophobicContact CG2-CG 3.97Å
254H88.9Confident95.2Very high47 Ų4729.9 Ų29.922%0.21815%0.145CC..SBendtrans-86.1161.8-174.5-67.6-99.7000110.7D256 D257 M287 E435H254-D256 PolarHBondContact O-N 2.89Å; H254-D257 PolarHBondContact N-OD2 3.01Å; H254-D257 WeakPolarHBondContact O-CB 3.41Å; H254-D257 PolarHBondContact O-N 2.99Å; H254-D257 VanDerWaalsContact O-N 3.12Å; H254-M287 WeakPolarHBondContact O-CE 3.33Å; H254-E435 IonicContact CD2-OE1 3.23Å; H254-E435 IonicContact CE1-OE1 2.71Å; H254-E435 PolarHBondContact CE1-OE1 3.32Å; H254-E435 IonicContact CE1-OE2 2.76Å; H254-E435 IonicContact CG-OE1 3.82Å; H254-E435 IonicContact ND1-OE1 3.55Å; H254-E435 PolarHBondContact ND1-OE1 2.79Å; H254-E435 IonicContact ND1-OE2 3.84Å; H254-E435 IonicContact NE2-OE1 3.83Å; H254-E435 PolarHBondContact NE2-OE1 3.1Å
255N89.3Confident95.4Very high117 Ų11730.6 Ų30.663%0.62615%0.152SC*.THydrogen-bonded Turntrans-61.5-33.5179.9-82-41.4000112.3D257 K258N255-D257 PolarHBondContact O-N 3.4Å; N255-K258 VanDerWaalsContact O-CB 3.23Å; N255-K258 WeakPolarHBondContact O-CB 3.44Å; N255-K258 VanDerWaalsContact O-CG 3.27Å; N255-K258 WeakPolarHBondContact O-CG 3.34Å; N255-K258 PolarHBondContact O-N 3.4Å; N255-K258 VanDerWaalsContact O-N 3.09Å; N255-K258 PolarHBondContact OD1-NZ 3.11Å
256D89.7Confident95.4Very high136 Ų13637.5 Ų37.573%0.72718%0.184SC*.THydrogen-bonded Turntrans-67.1-24.6178.9-60-18.8000112.4H254 K258 Y259H254-D256 PolarHBondContact O-N 2.89Å; D256-K258 PolarHBondContact O-N 3.35Å; D256-Y259 PolarHBondContact O-N 3.04Å
257D94.1Very high95.4Very high11 Ų1137.7 Ų37.76%0.05919%0.186CC..Hα-helixtrans-67.1-14.1174.7-67.8-59.9000112.5G252 T253 H254 N255 R260 L261 M287G252-D257 WeakPolarHBondContact CA-OD2 3.38Å; G252-D257 PolarHBondContact N-OD1 2.84Å; T253-D257 PolarHBondContact N-OD2 2.93Å; H254-D257 PolarHBondContact N-OD2 3.01Å; H254-D257 WeakPolarHBondContact O-CB 3.41Å; H254-D257 PolarHBondContact O-N 2.99Å; H254-D257 VanDerWaalsContact O-N 3.12Å; N255-D257 PolarHBondContact O-N 3.4Å; D257-R260 WeakPolarHBondContact O-CB 3.44Å; D257-R260 PolarHBondContact O-N 2.95Å; D257-R260 IonicContact OD1-NE 3.88Å; D257-L261 WeakPolarHBondContact O-CB 3.3Å; D257-L261 PolarHBondContact O-N 3.46Å; D257-M287 HydrophobicContact CB-CE 4.26Å
258K95.7Very high95.2Very high59 Ų5938.5 Ų38.526%0.25720%0.195SC..Hα-helixtrans-65.2-39.1172.5-64.5175.7173162.70111.9N255 D256 L261 D262 M287 Y290N255-K258 VanDerWaalsContact O-CB 3.23Å; N255-K258 WeakPolarHBondContact O-CB 3.44Å; N255-K258 VanDerWaalsContact O-CG 3.27Å; N255-K258 WeakPolarHBondContact O-CG 3.34Å; N255-K258 PolarHBondContact O-N 3.4Å; N255-K258 VanDerWaalsContact O-N 3.09Å; N255-K258 PolarHBondContact OD1-NZ 3.11Å; D256-K258 PolarHBondContact O-N 3.35Å; K258-L261 WeakPolarHBondContact O-CB 3.46Å; K258-L261 PolarHBondContact O-N 2.85Å; K258-D262 VanDerWaalsContact O-CG 3.27Å; K258-D262 PolarHBondContact O-N 2.96Å; K258-D262 VanDerWaalsContact O-N 3.11Å; K258-M287 HydrophobicContact CG-CE 4.03Å; K258-M287 HydrophobicContact CG-SD 4.2Å; K258-Y290 HydrophobicContact CB-CE1 4.03Å; K258-Y290 HydrophobicContact CD-CD1 4.3Å; K258-Y290 HydrophobicContact CD-CE1 3.87Å; K258-Y290 HydrophobicContact CD-CE2 4.18Å; K258-Y290 HydrophobicContact CG-CD1 4.1Å; K258-Y290 HydrophobicContact CG-CE1 3.59Å
259Y96.4Very high95.2Very high124 Ų12439 Ų3949%0.48620%0.198SC..Hα-helixtrans-68.1-41.1175.1171.8-107.7000111P97 E98 D256 L261 D262 L263P97-Y259 HydrophobicContact CB-CD1 4.28Å; P97-Y259 HydrophobicContact CB-CE1 4.18Å; P97-Y259 HydrophobicContact CG-CD1 4.28Å; P97-Y259 HydrophobicContact CG-CE1 4.41Å; E98-Y259 WeakPolarHBondContact OE1-CE1 3.39Å; E98-Y259 PolarHBondContact OE1-OH 3.32Å; E98-Y259 VanDerWaalsContact OE1-OH 3.08Å; D256-Y259 PolarHBondContact O-N 3.04Å; Y259-L261 PolarHBondContact O-N 3.25Å; Y259-D262 PolarHBondContact O-N 3.3Å; Y259-L263 HydrophobicContact CD1-CD1 4.37Å; Y259-L263 HydrophobicContact CE1-CD1 3.68Å; Y259-L263 HydrophobicContact CE1-CG 4.43Å; Y259-L263 HydrophobicContact CE2-CD1 4.35Å; Y259-L263 HydrophobicContact CE2-CG 4.32Å; Y259-L263 PolarHBondContact O-N 3.18Å
260R96.9Very high95.1Very high20 Ų2040.3 Ų40.38%0.07520%0.204CC..Hα-helixtrans-57.5-47.5172.6176.6-175.2-66.9-78.3-2.3111.8C95 T96 P97 I251 D257 D262 L263 L264C95-R260 PolarHBondContact O-NH1 3.22Å; C95-R260 PolarHBondContact O-NH2 2.89Å; T96-R260 PolarHBondContact O-NH1 2.94Å; P97-R260 HydrophobicContact CB-CB 4.08Å; P97-R260 HydrophobicContact CB-CG 4.31Å; P97-R260 HydrophobicContact CG-CB 4.2Å; I251-R260 HydrophobicContact CG2-CG 4.13Å; D257-R260 WeakPolarHBondContact O-CB 3.44Å; D257-R260 PolarHBondContact O-N 2.95Å; D257-R260 IonicContact OD1-NE 3.88Å; R260-D262 VanDerWaalsContact C-N 3.32Å; R260-D262 PolarHBondContact O-N 3.41Å; R260-L263 PolarHBondContact O-N 3.18Å; R260-L264 HydrophobicContact CG-CD1 3.95Å; R260-L264 HydrophobicContact CG-CG 4.42Å; R260-L264 VanDerWaalsContact O-CG 3.27Å; R260-L264 WeakPolarHBondContact O-CG 3.41Å; R260-L264 PolarHBondContact O-N 2.56Å
261L97.4Very high95.1Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-56.1-46.2176.5173.570.8000111.7I251 D257 K258 Y259 L263 L264 V265 V272 Y290 I291 Y295 L298I251-L261 HydrophobicContact CD1-CB 4.4Å; I251-L261 HydrophobicContact CD1-CD1 4.2Å; D257-L261 WeakPolarHBondContact O-CB 3.3Å; D257-L261 PolarHBondContact O-N 3.46Å; K258-L261 WeakPolarHBondContact O-CB 3.46Å; K258-L261 PolarHBondContact O-N 2.85Å; Y259-L261 PolarHBondContact O-N 3.25Å; L261-L263 VanDerWaalsContact C-N 3.32Å; L261-L263 PolarHBondContact O-N 3.16Å; L261-L264 PolarHBondContact O-N 3.43Å; L261-L264 VanDerWaalsContact O-N 3.14Å; L261-V265 HydrophobicContact CD1-CG2 4.06Å; L261-V265 HydrophobicContact CG-CG2 4.31Å; L261-V265 VanDerWaalsContact O-CG2 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.41Å; L261-V265 PolarHBondContact O-N 3.38Å; L261-V272 HydrophobicContact CD1-CG1 4.14Å; L261-V272 HydrophobicContact CD1-CG2 4.48Å; L261-Y290 HydrophobicContact CD2-CE1 4.2Å; L261-I291 HydrophobicContact CD2-CD1 4.39Å; L261-I291 HydrophobicContact CD2-CG1 3.62Å; L261-Y295 HydrophobicContact CD2-CD2 4.02Å; L261-Y295 HydrophobicContact CD2-CE2 3.95Å; L261-Y295 HydrophobicContact CG-CD2 4.33Å; L261-Y295 HydrophobicContact CG-CE2 4.08Å; L261-L298 HydrophobicContact CD1-CD2 3.8Å
262D97.5Very high95.2Very high33 Ų3340.3 Ų40.318%0.17620%0.204CC..Hα-helixtrans-59.3-43.5-179.4-69.5-15000111.6K258 Y259 R260 V265 Q266 K294 Y295K258-D262 VanDerWaalsContact O-CG 3.27Å; K258-D262 PolarHBondContact O-N 2.96Å; K258-D262 VanDerWaalsContact O-N 3.11Å; Y259-D262 PolarHBondContact O-N 3.3Å; R260-D262 VanDerWaalsContact C-N 3.32Å; R260-D262 PolarHBondContact O-N 3.41Å; D262-V265 PolarHBondContact O-N 3.23Å; D262-Q266 WeakPolarHBondContact O-CB 3.44Å; D262-Q266 VanDerWaalsContact O-CG 3.22Å; D262-Q266 WeakPolarHBondContact O-CG 3.28Å; D262-Q266 PolarHBondContact O-N 3.1Å; D262-K294 WeakPolarHBondContact OD1-CE 3.42Å; D262-K294 IonicContact OD1-NZ 3.43Å; D262-K294 PolarHBondContact OD1-NZ 3.1Å; D262-K294 IonicContact OD2-NZ 3.49Å; D262-K294 PolarHBondContact OD2-NZ 3.06Å; D262-Y295 WeakPolarHBondContact OD1-CE2 3.21Å; D262-Y295 PolarHBondContact OD1-OH 3.33Å
263L97.3Very high95.3Very high28 Ų2840.1 Ų40.115%0.14720%0.203CC..Hα-helixtrans-65.7-38175.5-67.5179.4000112.9P97 E98 A101 Y259 R260 L261 Q266 S267P97-L263 HydrophobicContact CB-CD1 3.77Å; E98-L263 HydrophobicContact CG-CD1 4.34Å; A101-L263 HydrophobicContact CB-CB 3.94Å; Y259-L263 HydrophobicContact CD1-CD1 4.37Å; Y259-L263 HydrophobicContact CE1-CD1 3.68Å; Y259-L263 HydrophobicContact CE1-CG 4.43Å; Y259-L263 HydrophobicContact CE2-CD1 4.35Å; Y259-L263 HydrophobicContact CE2-CG 4.32Å; Y259-L263 PolarHBondContact O-N 3.18Å; R260-L263 PolarHBondContact O-N 3.18Å; L261-L263 VanDerWaalsContact C-N 3.32Å; L261-L263 PolarHBondContact O-N 3.16Å; L263-Q266 PolarHBondContact O-N 2.92Å; L263-S267 WeakPolarHBondContact O-CB 3.39Å; L263-S267 PolarHBondContact O-N 3.22Å; L263-S267 PolarHBondContact O-OG 3.31Å
264L97.4Very high95.5Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-66.8-42.1178.4-68.4170.1000111.8Q100 V104 A249 I251 R260 L261 S267 G268 V269Q100-L264 HydrophobicContact CB-CD2 4.29Å; Q100-L264 HydrophobicContact CG-CD2 3.89Å; V104-L264 HydrophobicContact CG2-CD2 3.78Å; A249-L264 HydrophobicContact CB-CD1 3.87Å; A249-L264 HydrophobicContact CB-CD2 3.95Å; A249-L264 HydrophobicContact CB-CG 4.49Å; I251-L264 HydrophobicContact CG2-CD1 3.53Å; R260-L264 HydrophobicContact CG-CD1 3.95Å; R260-L264 HydrophobicContact CG-CG 4.42Å; R260-L264 VanDerWaalsContact O-CG 3.27Å; R260-L264 WeakPolarHBondContact O-CG 3.41Å; R260-L264 PolarHBondContact O-N 2.56Å; L261-L264 PolarHBondContact O-N 3.43Å; L261-L264 VanDerWaalsContact O-N 3.14Å; L264-S267 CarbonylContact O-C 3.49Å; L264-S267 PolarHBondContact O-N 3.04Å; L264-G268 PolarHBondContact O-N 2.89Å; L264-G268 VanDerWaalsContact O-N 3.15Å; L264-V269 HydrophobicContact CB-CB 4.32Å; L264-V269 HydrophobicContact CB-CG1 3.93Å; L264-V269 WeakPolarHBondContact O-CG1 3.26Å; L264-V269 PolarHBondContact O-N 2.78Å; L264-V269 VanDerWaalsContact O-N 3.09Å
265V96.9Very high95.8Very high43 Ų4337.4 Ų37.426%0.26119%0.19SC..Hα-helixtrans-62.9-44.6175.5174.70000110.2L261 D262 S267 G268 Y295 L298L261-V265 HydrophobicContact CD1-CG2 4.06Å; L261-V265 HydrophobicContact CG-CG2 4.31Å; L261-V265 VanDerWaalsContact O-CG2 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.41Å; L261-V265 PolarHBondContact O-N 3.38Å; D262-V265 PolarHBondContact O-N 3.23Å; V265-S267 VanDerWaalsContact C-N 3.26Å; V265-S267 PolarHBondContact O-N 3.13Å; V265-G268 WeakPolarHBondContact O-CA 3.4Å; V265-G268 PolarHBondContact O-N 2.93Å; V265-Y295 HydrophobicContact CB-CE1 4.38Å; V265-Y295 HydrophobicContact CG1-CD1 3.95Å; V265-Y295 HydrophobicContact CG1-CE1 3.78Å; V265-Y295 HydrophobicContact CG2-CD1 4.44Å; V265-Y295 HydrophobicContact CG2-CD2 4.01Å; V265-Y295 HydrophobicContact CG2-CE1 4.4Å; V265-Y295 HydrophobicContact CG2-CE2 3.95Å; V265-Y295 HydrophobicContact CG2-CG 4.25Å; V265-L298 HydrophobicContact CG2-CD2 3.92Å
266Q94.9Very high96Very high146 Ų14631.9 Ų31.968%0.68216%0.16SC*.Hα-helixtrans-61.1-34.7174.5-72.1171.81900112.8D262 L263 G268D262-Q266 WeakPolarHBondContact O-CB 3.44Å; D262-Q266 VanDerWaalsContact O-CG 3.22Å; D262-Q266 WeakPolarHBondContact O-CG 3.28Å; D262-Q266 PolarHBondContact O-N 3.1Å; L263-Q266 PolarHBondContact O-N 2.92Å; Q266-G268 PolarHBondContact O-N 3.08Å
267S94.3Very high96Very high12 Ų1226 Ų268%0.08413%0.13CC..THydrogen-bonded Turntrans-73.7-8.6173-79.50000114.2A101 R105 L263 L264 V265A101-S267 WeakPolarHBondContact O-CB 3.5Å; A101-S267 PolarHBondContact O-OG 3.05Å; R105-S267 PolarHBondContact NH2-OG 3.19Å; L263-S267 WeakPolarHBondContact O-CB 3.39Å; L263-S267 PolarHBondContact O-N 3.22Å; L263-S267 PolarHBondContact O-OG 3.31Å; L264-S267 CarbonylContact O-C 3.49Å; L264-S267 PolarHBondContact O-N 3.04Å; V265-S267 VanDerWaalsContact C-N 3.26Å; V265-S267 PolarHBondContact O-N 3.13Å
268G93.9Very high95.9Very high18 Ų1828.1 Ų28.119%0.18614%0.139CC..THydrogen-bonded Turntrans83.835.3176.700000114.5K108 L264 V265 Q266K108-G268 WeakPolarHBondContact CD-O 3.44Å; K108-G268 VanDerWaalsContact CE-O 3.27Å; K108-G268 WeakPolarHBondContact CE-O 3.47Å; L264-G268 PolarHBondContact O-N 2.89Å; L264-G268 VanDerWaalsContact O-N 3.15Å; V265-G268 WeakPolarHBondContact O-CA 3.4Å; V265-G268 PolarHBondContact O-N 2.93Å; Q266-G268 PolarHBondContact O-N 3.08Å
269V97.2Very high95.9Very high11 Ų1125.3 Ų25.37%0.06713%0.127CC..  trans-59.1139.3170.273.60000110.6V104 C247 A249 L264 V271 V272 L298V104-V269 HydrophobicContact CG1-CB 4.08Å; C247-V269 WeakPolarHBondContact O-CG2 3.37Å; A249-V269 HydrophobicContact CB-CG2 3.87Å; L264-V269 HydrophobicContact CB-CB 4.32Å; L264-V269 HydrophobicContact CB-CG1 3.93Å; L264-V269 WeakPolarHBondContact O-CG1 3.26Å; L264-V269 PolarHBondContact O-N 2.78Å; L264-V269 VanDerWaalsContact O-N 3.09Å; V269-V271 WeakPolarHBondContact CG2-O 3.29Å; V269-V272 HydrophobicContact CG1-CG1 3.96Å; V269-V272 HydrophobicContact CG2-CG1 4.37Å; V269-L298 HydrophobicContact CG1-CD1 4.16Å
270D97Very high95.9Very high26 Ų2621.7 Ų21.714%0.13912%0.116CC..SBendtrans-91-31.6-177.8-55.1-78.6000112.2I59 K108 L246 C247I59-D270 HydrophobicContact CD1-CB 4.36Å; K108-D270 IonicContact NZ-OD1 3.35Å; K108-D270 PolarHBondContact NZ-OD1 2.99Å; K108-D270 IonicContact NZ-OD2 3.61Å; K108-D270 PolarHBondContact NZ-OD2 2.86Å; L246-D270 WeakPolarHBondContact CA-OD2 3.31Å; L246-D270 HydrophobicContact CD2-CB 4.03Å; C247-D270 PolarHBondContact N-OD2 2.85Å; C247-D270 PolarHBondContact O-N 3.38Å
271V97.5Very high95.8Very high0 Ų021.7 Ų21.70%012%0.119CC..EExtended strand (participates in β ladder)trans-149.9139.4-176.2590000111.2L55 T56 I59 I88 F90 G248 A249 V269 Q299 I301L55-V271 HydrophobicContact CD2-CG1 4.1Å; T56-V271 HydrophobicContact CG2-CG2 3.94Å; I59-V271 HydrophobicContact CD1-CB 4Å; I88-V271 HydrophobicContact CD1-CG1 3.67Å; F90-V271 HydrophobicContact CE1-CG1 3.82Å; F90-V271 HydrophobicContact CE1-CG2 4.31Å; F90-V271 HydrophobicContact CZ-CG1 3.82Å; F90-V271 HydrophobicContact CZ-CG2 4.41Å; G248-V271 VanDerWaalsContact CA-O 3.24Å; G248-V271 WeakPolarHBondContact CA-O 3.45Å; A249-V271 PolarHBondContact N-O 3.03Å; A249-V271 VanDerWaalsContact N-O 3.11Å; V269-V271 WeakPolarHBondContact CG2-O 3.29Å; V271-Q299 WeakPolarHBondContact CA-O 3.41Å; V271-Q299 HydrophobicContact CB-CB 4.28Å; V271-Q299 HydrophobicContact CG2-CB 4.1Å; V271-I301 HydrophobicContact CG2-CD1 3.67Å; V271-I301 HydrophobicContact CG2-CG1 3.61Å
272V98.2Very high95.8Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-114.5141175.6-64.10000111.2A249 L261 V269 I291 L298 Q299 V300 I301A249-V272 CarbonylContact O-C 3.37Å; A249-V272 VanDerWaalsContact O-CA 3.29Å; A249-V272 WeakPolarHBondContact O-CA 3.24Å; L261-V272 HydrophobicContact CD1-CG1 4.14Å; L261-V272 HydrophobicContact CD1-CG2 4.48Å; V269-V272 HydrophobicContact CG1-CG1 3.96Å; V269-V272 HydrophobicContact CG2-CG1 4.37Å; V272-I291 HydrophobicContact CG2-CD1 4.45Å; V272-L298 HydrophobicContact CG1-CD2 4.12Å; V272-L298 HydrophobicContact CG2-CD2 3.88Å; V272-L298 HydrophobicContact CG2-CG 4.33Å; V272-Q299 PolarHBondContact N-O 3.18Å; V272-V300 HydrophobicContact CG2-CG1 4.39Å; V272-V300 HydrophobicContact CG2-CG2 4.08Å; V272-I301 PolarHBondContact O-N 3.4Å
273V97.9Very high95.7Very high0 Ų030.9 Ų30.90%016%0.161CC..EExtended strand (participates in β ladder)trans-109.4126.4171.264.80000109.9P69 F90 A249 A250 I251 D275 I301P69-V273 HydrophobicContact CG-CG1 4.27Å; F90-V273 HydrophobicContact CD1-CB 4.03Å; F90-V273 HydrophobicContact CD1-CG1 3.56Å; F90-V273 HydrophobicContact CE1-CB 4.02Å; F90-V273 HydrophobicContact CE1-CG1 4.08Å; F90-V273 HydrophobicContact CG-CG1 4.23Å; A249-V273 PolarHBondContact O-N 3Å; A250-V273 CarbonylContact C-O 3.38Å; A250-V273 WeakPolarHBondContact CA-O 3.41Å; A250-V273 HydrophobicContact CB-CG1 3.67Å; I251-V273 PolarHBondContact N-O 3.16Å; V273-D275 PolarHBondContact O-N 3.17Å; V273-I301 WeakPolarHBondContact CA-O 3.41Å; V273-I301 HydrophobicContact CB-CB 4.12Å; V273-I301 HydrophobicContact CG2-CB 4.03Å; V273-I301 HydrophobicContact CG2-CG2 4.04Å
274L97.8Very high95.7Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-79.2106.8169.9-58.9-175.8000107.6I251 Q284 M287 I288 I291 V300 I301 G303I251-L274 HydrophobicContact CD1-CD2 3.49Å; I251-L274 VanDerWaalsContact CD1-CD2 3.49Å; I251-L274 HydrophobicContact CG1-CD2 3.4Å; I251-L274 VanDerWaalsContact CG1-CD2 3.4Å; L274-Q284 HydrophobicContact CB-CG 3.98Å; L274-Q284 HydrophobicContact CD1-CG 3.53Å; L274-Q284 HydrophobicContact CG-CG 4.39Å; L274-M287 HydrophobicContact CD1-CB 4.35Å; L274-M287 HydrophobicContact CD1-CG 4.26Å; L274-M287 HydrophobicContact CD2-CG 3.96Å; L274-I288 HydrophobicContact CD1-CD1 4.16Å; L274-I288 HydrophobicContact CD1-CG1 3.37Å; L274-I291 HydrophobicContact CD2-CD1 3.93Å; L274-V300 HydrophobicContact CD1-CG1 4.29Å; L274-V300 HydrophobicContact CG-CG1 4.26Å; L274-I301 PolarHBondContact N-O 3.22Å; L274-G303 VanDerWaalsContact O-O 3.05Å
275D94.9Very high95.7Very high2 Ų230.8 Ų30.81%0.01116%0.161CC..  trans-94.5102.4-173.2-167.335.2000110.5H93 A250 I251 V273 R323 R431H93-D275 IonicContact NE2-OD2 2.75Å; A250-D275 HydrophobicContact CB-CB 4.19Å; I251-D275 PolarHBondContact O-N 3.12Å; V273-D275 PolarHBondContact O-N 3.17Å; D275-R323 IonicContact OD1-CZ 2.91Å; D275-R323 IonicContact OD1-NH1 2.76Å; D275-R323 PolarHBondContact OD1-NH1 3.17Å; D275-R323 IonicContact OD1-NH2 2.73Å; D275-R431 IonicContact OD1-CZ 3.81Å; D275-R431 IonicContact OD1-NE 3.84Å; D275-R431 IonicContact OD1-NH1 3.39Å; D275-R431 PolarHBondContact OD1-NH1 3.29Å; D275-R431 IonicContact OD1-NH2 2.76Å; D275-R431 WeakPolarHBondContact OD2-CD 3.45Å; D275-R431 IonicContact OD2-CZ 2.69Å; D275-R431 IonicContact OD2-NE 3.46Å; D275-R431 IonicContact OD2-NH1 3.21Å; D275-R431 PolarHBondContact OD2-NH1 2.98Å
276S92.4Very high95.8Very high1 Ų132.7 Ų32.71%0.00717%0.17CC..  trans-132.1146.5173.4-175.50000110.6Q278 G303 N304S276-Q278 VanDerWaalsContact C-N 3.26Å; S276-Q278 PolarHBondContact O-N 3.29Å; S276-Q278 PolarHBondContact OG-O 2.96Å; S276-G303 PolarHBondContact N-O 3.32Å; S276-N304 PolarHBondContact O-N 3.15Å
277S89.4Confident95.9Very high13 Ų1326 Ų269%0.09114%0.139CC..SBendtrans-59.1-38.717353.80000112.3R431S277-R431 WeakPolarHBondContact CB-O 3.12Å; S277-R431 PolarHBondContact N-O 3.2Å; S277-R431 PolarHBondContact OG-O 3.39Å
278Q93.8Very high96.1Very high55 Ų5525.5 Ų25.526%0.25714%0.135SC..SBendtrans-137.599.4176.6-161.4-69.689.200108.8S276 N280 M326S276-Q278 VanDerWaalsContact C-N 3.26Å; S276-Q278 PolarHBondContact O-N 3.29Å; S276-Q278 PolarHBondContact OG-O 2.96Å; Q278-N280 PolarHBondContact NE2-O 2.58Å; Q278-N280 PolarHBondContact O-N 2.85Å; Q278-N280 VanDerWaalsContact OE1-CB 3.23Å; Q278-M326 HydrophobicContact CB-CE 4.13Å; Q278-M326 HydrophobicContact CB-SD 4.24Å; Q278-M326 HydrophobicContact CG-CE 4.31Å; Q278-M326 HydrophobicContact CG-SD 4.11Å
279G93.8Very high96.2Very high0 Ų030 Ų300%015%0.149CC..  trans-78.8-10.3-165.600000116.8S281 Q284 G303 N304G279-S281 VanDerWaalsContact C-N 3.26Å; G279-S281 PolarHBondContact O-N 3.49Å; G279-Q284 WeakPolarHBondContact O-CB 3.39Å; G279-Q284 VanDerWaalsContact O-CD 3.31Å; G279-Q284 PolarHBondContact O-NE2 3.26Å; G279-G303 WeakPolarHBondContact CA-O 3.27Å; G279-N304 PolarHBondContact N-O 2.84Å
280N96.6Very high96.3Very high48 Ų4832.4 Ų32.426%0.25716%0.157SC..  trans-81.775175.9-174.741.8000110.4Q278 Q310 N313Q278-N280 PolarHBondContact NE2-O 2.58Å; Q278-N280 PolarHBondContact O-N 2.85Å; Q278-N280 VanDerWaalsContact OE1-CB 3.23Å; N280-Q310 HydrophobicContact CB-CB 3.83Å; N280-Q310 HydrophobicContact CB-CG 3.57Å; N280-N313 WeakPolarHBondContact OD1-CB 3.37Å; N280-N313 PolarHBondContact OD1-ND2 3.3Å
281S96.5Very high96.3Very high19 Ų1931.1 Ų31.113%0.13315%0.151CC..SBendtrans-129.5154.8176.475.50000110.6G279 F283 Q284 I285G279-S281 VanDerWaalsContact C-N 3.26Å; G279-S281 PolarHBondContact O-N 3.49Å; S281-F283 PolarHBondContact O-N 3.03Å; S281-Q284 PolarHBondContact O-N 3.4Å; S281-Q284 PolarHBondContact OG-N 3.16Å; S281-Q284 VanDerWaalsContact OG-N 3.16Å; S281-I285 WeakPolarHBondContact O-CG1 3.38Å; S281-I285 PolarHBondContact O-N 3.11Å
282I96.1Very high96.3Very high104 Ų10433.5 Ų33.553%0.53316%0.161SC..Hα-helixtrans-60.7-33.1175.6-16957.5000111.6I285 N286I282-I285 PolarHBondContact O-N 2.92Å; I282-N286 VanDerWaalsContact O-CB 3.3Å; I282-N286 WeakPolarHBondContact O-CB 3.17Å; I282-N286 PolarHBondContact O-N 3.14Å; I282-N286 PolarHBondContact O-ND2 3.42Å
283F96.1Very high96.3Very high122 Ų12241.4 Ų41.454%0.53520%0.198SC..Hα-helixtrans-62.6-48.5177.4-56.3-73.3000111.4S281 N286 M287S281-F283 PolarHBondContact O-N 3.03Å; F283-N286 PolarHBondContact O-N 3.02Å; F283-M287 WeakPolarHBondContact O-CB 3.49Å; F283-M287 PolarHBondContact O-N 3.18Å
284Q97.1Very high96.3Very high0 Ų045.4 Ų45.40%022%0.215CC..Hα-helixtrans-66.7-44.1178.8-163.4170.8137.300111.6T253 L274 G279 S281 N286 M287 I288 G303T253-Q284 HydrophobicContact CG2-CB 3.83Å; T253-Q284 HydrophobicContact CG2-CG 3.97Å; L274-Q284 HydrophobicContact CB-CG 3.98Å; L274-Q284 HydrophobicContact CD1-CG 3.53Å; L274-Q284 HydrophobicContact CG-CG 4.39Å; G279-Q284 WeakPolarHBondContact O-CB 3.39Å; G279-Q284 VanDerWaalsContact O-CD 3.31Å; G279-Q284 PolarHBondContact O-NE2 3.26Å; S281-Q284 PolarHBondContact O-N 3.4Å; S281-Q284 PolarHBondContact OG-N 3.16Å; S281-Q284 VanDerWaalsContact OG-N 3.16Å; Q284-N286 VanDerWaalsContact C-N 3.32Å; Q284-N286 PolarHBondContact O-N 3.39Å; Q284-M287 PolarHBondContact O-N 3.29Å; Q284-M287 VanDerWaalsContact O-N 3.16Å; Q284-I288 HydrophobicContact CG-CD1 4.09Å; Q284-I288 HydrophobicContact CG-CG1 4.49Å; Q284-I288 WeakPolarHBondContact O-CD1 3.3Å; Q284-I288 VanDerWaalsContact O-CG1 3.24Å; Q284-I288 WeakPolarHBondContact O-CG1 3.47Å; Q284-I288 PolarHBondContact O-N 2.73Å; Q284-G303 PolarHBondContact NE2-O 2.89Å; Q284-G303 PolarHBondContact OE1-O 3.03Å
285I97.8Very high96.2Very high27 Ų2747.8 Ų47.814%0.13823%0.225CC..Hα-helixtrans-58.4-45.1178.2-69.7167.4000111.1S281 I282 I288 K289 N313 L314 A317S281-I285 WeakPolarHBondContact O-CG1 3.38Å; S281-I285 PolarHBondContact O-N 3.11Å; I282-I285 PolarHBondContact O-N 2.92Å; I285-I288 PolarHBondContact O-N 3.17Å; I285-K289 WeakPolarHBondContact O-CG 3.43Å; I285-K289 PolarHBondContact O-N 3.3Å; I285-K289 VanDerWaalsContact O-N 3.16Å; I285-N313 HydrophobicContact CD1-CB 4.22Å; I285-L314 HydrophobicContact CG1-CD2 4.08Å; I285-A317 HydrophobicContact CG2-CB 4.01Å
286N97.6Very high96.3Very high83 Ų8351.4 Ų51.444%0.44425%0.248SC..Hα-helixtrans-67.9-37.4177.7-70.8-13.9000112I282 F283 Q284 K289 Y290I282-N286 VanDerWaalsContact O-CB 3.3Å; I282-N286 WeakPolarHBondContact O-CB 3.17Å; I282-N286 PolarHBondContact O-N 3.14Å; I282-N286 PolarHBondContact O-ND2 3.42Å; F283-N286 PolarHBondContact O-N 3.02Å; Q284-N286 VanDerWaalsContact C-N 3.32Å; Q284-N286 PolarHBondContact O-N 3.39Å; N286-K289 PolarHBondContact O-N 3.14Å; N286-Y290 WeakPolarHBondContact O-CB 3.34Å; N286-Y290 PolarHBondContact O-N 3.02Å
287M97.8Very high96.4Very high6 Ų657.8 Ų57.83%0.0328%0.282CS..Hα-helixtrans-64.4-42.6175.4-173.962.782.700111.6H254 D257 K258 L274 F283 Q284 K289 Y290 I291H254-M287 WeakPolarHBondContact O-CE 3.33Å; D257-M287 HydrophobicContact CB-CE 4.26Å; K258-M287 HydrophobicContact CG-CE 4.03Å; K258-M287 HydrophobicContact CG-SD 4.2Å; L274-M287 HydrophobicContact CD1-CB 4.35Å; L274-M287 HydrophobicContact CD1-CG 4.26Å; L274-M287 HydrophobicContact CD2-CG 3.96Å; F283-M287 WeakPolarHBondContact O-CB 3.49Å; F283-M287 PolarHBondContact O-N 3.18Å; Q284-M287 PolarHBondContact O-N 3.29Å; Q284-M287 VanDerWaalsContact O-N 3.16Å; M287-K289 PolarHBondContact O-N 3.24Å; M287-Y290 PolarHBondContact O-N 2.89Å; M287-Y290 HydrophobicContact SD-CD1 4.05Å; M287-I291 HydrophobicContact CG-CD1 3.91Å; M287-I291 HydrophobicContact CG-CG1 4.4Å; M287-I291 VanDerWaalsContact O-CG1 3.23Å; M287-I291 WeakPolarHBondContact O-CG1 3.35Å; M287-I291 PolarHBondContact O-N 3.01Å; M287-I291 HydrophobicContact SD-CD1 4.43Å; M287-I291 HydrophobicContact SD-CG1 4.42Å
288I97.8Very high96.8Very high0 Ų058 Ų580%028%0.282CS..Hα-helixtrans-57.4-51.6175.6-65.6157000109.8L274 Q284 I285 Y290 I291 K292 L314 A317 V319L274-I288 HydrophobicContact CD1-CD1 4.16Å; L274-I288 HydrophobicContact CD1-CG1 3.37Å; Q284-I288 HydrophobicContact CG-CD1 4.09Å; Q284-I288 HydrophobicContact CG-CG1 4.49Å; Q284-I288 WeakPolarHBondContact O-CD1 3.3Å; Q284-I288 VanDerWaalsContact O-CG1 3.24Å; Q284-I288 WeakPolarHBondContact O-CG1 3.47Å; Q284-I288 PolarHBondContact O-N 2.73Å; I285-I288 PolarHBondContact O-N 3.17Å; I288-Y290 VanDerWaalsContact C-N 3.34Å; I288-Y290 PolarHBondContact O-N 3.3Å; I288-I291 PolarHBondContact O-N 3.19Å; I288-K292 HydrophobicContact CG2-CG 4.35Å; I288-K292 WeakPolarHBondContact O-CG 3.32Å; I288-K292 PolarHBondContact O-N 2.9Å; I288-L314 HydrophobicContact CD1-CD2 3.82Å; I288-A317 HydrophobicContact CB-CB 4.25Å; I288-A317 HydrophobicContact CD1-CB 4.15Å; I288-A317 HydrophobicContact CG2-CB 4.07Å; I288-A317 WeakPolarHBondContact CG2-O 3.43Å; I288-V319 HydrophobicContact CD1-CG1 3.38Å; I288-V319 HydrophobicContact CG1-CG1 3.85Å; I288-V319 HydrophobicContact CG2-CG1 3.92Å
289K97.9Very high96.9Very high114 Ų11455.6 Ų55.650%0.49627%0.271SS..Hα-helixtrans-58.1-45.7178.8-72.2175.3177.7-178.80111.9I285 N286 M287 I291 K292 E293I285-K289 WeakPolarHBondContact O-CG 3.43Å; I285-K289 PolarHBondContact O-N 3.3Å; I285-K289 VanDerWaalsContact O-N 3.16Å; N286-K289 PolarHBondContact O-N 3.14Å; M287-K289 PolarHBondContact O-N 3.24Å; K289-I291 PolarHBondContact O-N 3.39Å; K289-K292 PolarHBondContact O-N 3.39Å; K289-E293 WeakPolarHBondContact O-CB 3.4Å; K289-E293 PolarHBondContact O-N 3.03Å
290Y97.9Very high97.1Very high60 Ų6055.6 Ų55.624%0.23527%0.271CS..Hα-helixtrans-59-44.3176.3171.9-97000112.3K258 L261 N286 M287 I288 E293 K294K258-Y290 HydrophobicContact CB-CE1 4.03Å; K258-Y290 HydrophobicContact CD-CD1 4.3Å; K258-Y290 HydrophobicContact CD-CE1 3.87Å; K258-Y290 HydrophobicContact CD-CE2 4.18Å; K258-Y290 HydrophobicContact CG-CD1 4.1Å; K258-Y290 HydrophobicContact CG-CE1 3.59Å; L261-Y290 HydrophobicContact CD2-CE1 4.2Å; N286-Y290 WeakPolarHBondContact O-CB 3.34Å; N286-Y290 PolarHBondContact O-N 3.02Å; M287-Y290 PolarHBondContact O-N 2.89Å; M287-Y290 HydrophobicContact SD-CD1 4.05Å; I288-Y290 VanDerWaalsContact C-N 3.34Å; I288-Y290 PolarHBondContact O-N 3.3Å; Y290-E293 PolarHBondContact O-N 3.2Å; Y290-K294 HydrophobicContact CE1-CD 4.22Å; Y290-K294 HydrophobicContact CE2-CD 4.32Å; Y290-K294 WeakPolarHBondContact O-CB 3.35Å; Y290-K294 PolarHBondContact O-N 2.76Å; Y290-K294 WeakPolarHBondContact OH-CD 3.35Å; Y290-K294 PolarHBondContact OH-NZ 3Å; Y290-K294 VanDerWaalsContact OH-NZ 3.15Å
291I97.6Very high97.2Very high0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-63.8-47.7177.7-64.4164.2000110.5I251 L261 V272 L274 M287 I288 K289 E293 K294 Y295 L298 V300I251-I291 HydrophobicContact CD1-CD1 4.09Å; L261-I291 HydrophobicContact CD2-CD1 4.39Å; L261-I291 HydrophobicContact CD2-CG1 3.62Å; V272-I291 HydrophobicContact CG2-CD1 4.45Å; L274-I291 HydrophobicContact CD2-CD1 3.93Å; M287-I291 HydrophobicContact CG-CD1 3.91Å; M287-I291 HydrophobicContact CG-CG1 4.4Å; M287-I291 VanDerWaalsContact O-CG1 3.23Å; M287-I291 WeakPolarHBondContact O-CG1 3.35Å; M287-I291 PolarHBondContact O-N 3.01Å; M287-I291 HydrophobicContact SD-CD1 4.43Å; M287-I291 HydrophobicContact SD-CG1 4.42Å; I288-I291 PolarHBondContact O-N 3.19Å; K289-I291 PolarHBondContact O-N 3.39Å; I291-E293 VanDerWaalsContact C-N 3.28Å; I291-E293 PolarHBondContact O-N 3.36Å; I291-K294 PolarHBondContact O-N 2.97Å; I291-Y295 CarbonylContact O-C 3.58Å; I291-Y295 WeakPolarHBondContact O-CA 3.11Å; I291-Y295 PolarHBondContact O-N 2.93Å; I291-L298 HydrophobicContact CG2-CD2 3.91Å; I291-V300 HydrophobicContact CB-CG2 4.14Å; I291-V300 HydrophobicContact CD1-CG1 4.33Å; I291-V300 HydrophobicContact CD1-CG2 4.41Å; I291-V300 HydrophobicContact CG2-CG2 3.43Å; I291-V300 VanDerWaalsContact CG2-CG2 3.43Å
292K97.4Very high97.3Very high49 Ų4952.4 Ų52.421%0.21325%0.253CS..Hα-helixtrans-66.8-28.8-178.9-61.7-52.6-63.1-176.80112.7I288 K289 P296 L298 V300 D320I288-K292 HydrophobicContact CG2-CG 4.35Å; I288-K292 WeakPolarHBondContact O-CG 3.32Å; I288-K292 PolarHBondContact O-N 2.9Å; K289-K292 PolarHBondContact O-N 3.39Å; K292-P296 PolarHBondContact NZ-O 3.4Å; K292-P296 VanDerWaalsContact NZ-O 3.16Å; K292-P296 WeakPolarHBondContact O-CA 3.49Å; K292-L298 PolarHBondContact NZ-O 2.95Å; K292-V300 HydrophobicContact CD-CG2 4.03Å; K292-D320 IonicContact NZ-OD1 3.29Å; K292-D320 IonicContact NZ-OD2 3.53Å; K292-D320 PolarHBondContact NZ-OD2 3.42Å
293E97.6Very high97.2Very high167 Ų16747.5 Ų47.578%0.7823%0.227SC*.Hα-helixtrans-73.1-47.4174-175.2179.7174.400111.9K289 Y290 I291K289-E293 WeakPolarHBondContact O-CB 3.4Å; K289-E293 PolarHBondContact O-N 3.03Å; Y290-E293 PolarHBondContact O-N 3.2Å; I291-E293 VanDerWaalsContact C-N 3.28Å; I291-E293 PolarHBondContact O-N 3.36Å
294K97.8Very high97.2Very high83 Ų8341.9 Ų41.936%0.36120%0.203SC..Hα-helixtrans-79.2-37.4-175.8-169.6174.9-177-176.30113.3D262 Y290 I291D262-K294 WeakPolarHBondContact OD1-CE 3.42Å; D262-K294 IonicContact OD1-NZ 3.43Å; D262-K294 PolarHBondContact OD1-NZ 3.1Å; D262-K294 IonicContact OD2-NZ 3.49Å; D262-K294 PolarHBondContact OD2-NZ 3.06Å; Y290-K294 HydrophobicContact CE1-CD 4.22Å; Y290-K294 HydrophobicContact CE2-CD 4.32Å; Y290-K294 WeakPolarHBondContact O-CB 3.35Å; Y290-K294 PolarHBondContact O-N 2.76Å; Y290-K294 WeakPolarHBondContact OH-CD 3.35Å; Y290-K294 PolarHBondContact OH-NZ 3Å; Y290-K294 VanDerWaalsContact OH-NZ 3.15Å; I291-K294 PolarHBondContact O-N 2.97Å
295Y97.4Very high97.2Very high50 Ų5042 Ų4220%0.19620%0.203CC..  trans-132.973.2-175.4-56.9-62.6000110L261 D262 V265 I291 D297 L298L261-Y295 HydrophobicContact CD2-CD2 4.02Å; L261-Y295 HydrophobicContact CD2-CE2 3.95Å; L261-Y295 HydrophobicContact CG-CD2 4.33Å; L261-Y295 HydrophobicContact CG-CE2 4.08Å; D262-Y295 WeakPolarHBondContact OD1-CE2 3.21Å; D262-Y295 PolarHBondContact OD1-OH 3.33Å; V265-Y295 HydrophobicContact CB-CE1 4.38Å; V265-Y295 HydrophobicContact CG1-CD1 3.95Å; V265-Y295 HydrophobicContact CG1-CE1 3.78Å; V265-Y295 HydrophobicContact CG2-CD1 4.44Å; V265-Y295 HydrophobicContact CG2-CD2 4.01Å; V265-Y295 HydrophobicContact CG2-CE1 4.4Å; V265-Y295 HydrophobicContact CG2-CE2 3.95Å; V265-Y295 HydrophobicContact CG2-CG 4.25Å; I291-Y295 CarbonylContact O-C 3.58Å; I291-Y295 WeakPolarHBondContact O-CA 3.11Å; I291-Y295 PolarHBondContact O-N 2.93Å; Y295-D297 VanDerWaalsContact C-N 3.25Å; Y295-D297 PolarHBondContact O-N 2.98Å; Y295-L298 WeakPolarHBondContact O-CB 3.17Å; Y295-L298 PolarHBondContact O-N 2.9Å; Y295-L298 VanDerWaalsContact O-N 3.08Å
296P95.6Very high97.1Very high78 Ų7841 Ų4151%0.50620%0.199SC..THydrogen-bonded Turntrans-59.9-34.2-172.622.4-33.8000113.7K292K292-P296 PolarHBondContact NZ-O 3.4Å; K292-P296 VanDerWaalsContact NZ-O 3.16Å; K292-P296 WeakPolarHBondContact O-CA 3.49Å
297D94.9Very high97.1Very high135 Ų13539.4 Ų39.472%0.72219%0.192SC*.THydrogen-bonded Turntrans-77.1-21.8-179.4-60.1-37.4000113Y295 Q299Y295-D297 VanDerWaalsContact C-N 3.25Å; Y295-D297 PolarHBondContact O-N 2.98Å; D297-Q299 PolarHBondContact O-N 3.42Å; D297-Q299 PolarHBondContact O-NE2 3.35Å
298L97.1Very high97.1Very high17 Ų1740.8 Ų40.89%0.08920%0.204CC..SBendtrans-67.3131-179.1-175.466.3000110.1L261 V265 V269 V272 I291 K292 Y295L261-L298 HydrophobicContact CD1-CD2 3.8Å; V265-L298 HydrophobicContact CG2-CD2 3.92Å; V269-L298 HydrophobicContact CG1-CD1 4.16Å; V272-L298 HydrophobicContact CG1-CD2 4.12Å; V272-L298 HydrophobicContact CG2-CD2 3.88Å; V272-L298 HydrophobicContact CG2-CG 4.33Å; I291-L298 HydrophobicContact CG2-CD2 3.91Å; K292-L298 PolarHBondContact NZ-O 2.95Å; Y295-L298 WeakPolarHBondContact O-CB 3.17Å; Y295-L298 PolarHBondContact O-N 2.9Å; Y295-L298 VanDerWaalsContact O-N 3.08Å
299Q97.5Very high97.1Very high5 Ų544 Ų442%0.02323%0.231CC..EExtended strand (participates in β ladder)trans-83.3130.8178.3-59.4-64-73.100110.4T56 I59 V271 V272 D297 D320T56-Q299 HydrophobicContact CG2-CB 4.01Å; T56-Q299 PolarHBondContact OG1-OE1 3.34Å; I59-Q299 HydrophobicContact CD1-CB 4Å; I59-Q299 HydrophobicContact CD1-CG 3.71Å; I59-Q299 HydrophobicContact CG1-CG 4.04Å; V271-Q299 WeakPolarHBondContact CA-O 3.41Å; V271-Q299 HydrophobicContact CB-CB 4.28Å; V271-Q299 HydrophobicContact CG2-CB 4.1Å; V272-Q299 PolarHBondContact N-O 3.18Å; D297-Q299 PolarHBondContact O-N 3.42Å; D297-Q299 PolarHBondContact O-NE2 3.35Å; Q299-D320 WeakPolarHBondContact CA-OD2 3.15Å
300V98.1Very high97.1Very high0 Ų039.6 Ų39.60%021%0.212CC..EExtended strand (participates in β ladder)trans-121.3127.2-175.3-173.70000111.5V272 L274 I291 K292 D320 A321V272-V300 HydrophobicContact CG2-CG1 4.39Å; V272-V300 HydrophobicContact CG2-CG2 4.08Å; L274-V300 HydrophobicContact CD1-CG1 4.29Å; L274-V300 HydrophobicContact CG-CG1 4.26Å; I291-V300 HydrophobicContact CB-CG2 4.14Å; I291-V300 HydrophobicContact CD1-CG1 4.33Å; I291-V300 HydrophobicContact CD1-CG2 4.41Å; I291-V300 HydrophobicContact CG2-CG2 3.43Å; I291-V300 VanDerWaalsContact CG2-CG2 3.43Å; K292-V300 HydrophobicContact CD-CG2 4.03Å; V300-D320 PolarHBondContact N-OD2 2.9Å; V300-D320 PolarHBondContact O-N 3.26Å; V300-A321 PolarHBondContact O-N 3.32Å
301I98.2Very high97.1Very high1 Ų136.7 Ų36.71%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-102.7118.8173.3-49-174.1000108.7L55 T56 F90 V271 V272 V273 L274 A321 R323 I363L55-I301 HydrophobicContact CD1-CD1 4.4Å; L55-I301 HydrophobicContact CG-CD1 4.45Å; T56-I301 HydrophobicContact CG2-CD1 4.47Å; T56-I301 HydrophobicContact CG2-CG1 4.27Å; F90-I301 HydrophobicContact CE1-CD1 3.94Å; F90-I301 HydrophobicContact CE2-CD1 4.48Å; F90-I301 HydrophobicContact CZ-CD1 3.5Å; F90-I301 VanDerWaalsContact CZ-CD1 3.5Å; V271-I301 HydrophobicContact CG2-CD1 3.67Å; V271-I301 HydrophobicContact CG2-CG1 3.61Å; V272-I301 PolarHBondContact O-N 3.4Å; V273-I301 WeakPolarHBondContact CA-O 3.41Å; V273-I301 HydrophobicContact CB-CB 4.12Å; V273-I301 HydrophobicContact CG2-CB 4.03Å; V273-I301 HydrophobicContact CG2-CG2 4.04Å; L274-I301 PolarHBondContact N-O 3.22Å; I301-A321 WeakPolarHBondContact CA-O 3.4Å; I301-A321 HydrophobicContact CB-CB 4.48Å; I301-A321 HydrophobicContact CG1-CB 4.08Å; I301-A321 HydrophobicContact CG2-CB 4.2Å; I301-R323 HydrophobicContact CG2-CB 4.06Å; I301-I363 HydrophobicContact CD1-CD1 3.74Å; I301-I363 HydrophobicContact CG2-CD1 4.19Å
302G97.5Very high97.1Very high0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-95.4143.1176.400000112.4A321 L322 R323G302-A321 PolarHBondContact N-O 3.29Å; G302-L322 CarbonylContact O-C 3.6Å; G302-L322 WeakPolarHBondContact O-CA 3.47Å; G302-R323 PolarHBondContact O-N 3.1Å
303G94.3Very high97.1Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans172.3178.9178.300000114.9L274 S276 G279 Q284L274-G303 VanDerWaalsContact O-O 3.05Å; S276-G303 PolarHBondContact N-O 3.32Å; G279-G303 WeakPolarHBondContact CA-O 3.27Å; Q284-G303 PolarHBondContact NE2-O 2.89Å; Q284-G303 PolarHBondContact OE1-O 3.03Å
304N95.9Very high97.1Very high5 Ų533.6 Ų33.63%0.02719%0.188CC..EExtended strand (participates in β ladder)cis-88.7146.9-3.1-7327000112.1S276 G279 R323 G325 D365S276-N304 PolarHBondContact O-N 3.15Å; G279-N304 PolarHBondContact N-O 2.84Å; N304-R323 WeakPolarHBondContact CA-O 3.5Å; N304-R323 WeakPolarHBondContact OD1-CD 3.42Å; N304-R323 WeakPolarHBondContact OD1-CG 3.22Å; N304-R323 PolarHBondContact OD1-NE 3.16Å; N304-G325 WeakPolarHBondContact CB-O 3.42Å; N304-G325 PolarHBondContact ND2-O 2.95Å; N304-D365 PolarHBondContact ND2-OD2 3.33Å
305V97.3Very high97.1Very high1 Ų130.3 Ų30.31%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-126.1154.2175.5-58.20000111.5Q310 A311 L314 L322 R323 V324 G325 V351V305-Q310 HydrophobicContact CB-CB 3.81Å; V305-Q310 HydrophobicContact CG1-CB 3.69Å; V305-A311 HydrophobicContact CG2-CB 4.47Å; V305-L314 HydrophobicContact CG1-CD1 3.48Å; V305-L314 VanDerWaalsContact CG1-CD1 3.48Å; V305-L314 HydrophobicContact CG1-CG 4.33Å; V305-L322 HydrophobicContact CG2-CD2 4.48Å; V305-R323 PolarHBondContact N-O 3.44Å; V305-V324 HydrophobicContact CG2-CG2 3.93Å; V305-V324 VanDerWaalsContact O-CA 3.27Å; V305-V324 WeakPolarHBondContact O-CA 3.3Å; V305-V324 WeakPolarHBondContact O-CG1 3.46Å; V305-G325 PolarHBondContact O-N 2.93Å; V305-V351 HydrophobicContact CG2-CG1 4.25Å
306V96.9Very high97.2Very high8 Ų832.3 Ų32.35%0.04819%0.188CC..  trans-131.91.6176.8-69.10000113.8M326 R342 A347V306-M326 HydrophobicContact CG1-CB 3.49Å; V306-M326 VanDerWaalsContact CG1-CB 3.49Å; V306-M326 VanDerWaalsContact CG1-N 3.35Å; V306-R342 HydrophobicContact CB-CB 3.95Å; V306-R342 HydrophobicContact CG1-CB 4.39Å; V306-R342 HydrophobicContact CG2-CB 4.34Å; V306-R342 VanDerWaalsContact O-CD 3.31Å; V306-R342 WeakPolarHBondContact O-CD 3.37Å; V306-R342 PolarHBondContact O-NH1 3.45Å; V306-A347 HydrophobicContact CB-CB 4.19Å; V306-A347 HydrophobicContact CG1-CB 4.3Å
307T97.3Very high97.3Very high48 Ų4829 Ų2929%0.29417%0.168SC..SBendtrans-137.5154.4-178.6670000112.3A309 Q310 A311T307-A309 VanDerWaalsContact C-N 3.26Å; T307-A309 PolarHBondContact O-N 3.5Å; T307-Q310 VanDerWaalsContact N-OE1 3.1Å; T307-Q310 PolarHBondContact O-N 3.33Å; T307-Q310 VanDerWaalsContact OG1-CG 3.25Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.25Å; T307-Q310 PolarHBondContact OG1-N 2.72Å; T307-Q310 PolarHBondContact OG1-OE1 3.04Å; T307-A311 PolarHBondContact O-N 3.31Å
308A96.8Very high97.3Very high35 Ų3523.9 Ų23.929%0.28915%0.146SC..Hα-helixtrans-63.3-31.3175.600000112.7A311 K312 Y354A308-A311 PolarHBondContact O-N 2.97Å; A308-K312 WeakPolarHBondContact O-CB 3.29Å; A308-K312 PolarHBondContact O-N 3.27Å; A308-Y354 HydrophobicContact CB-CD2 4.38Å; A308-Y354 HydrophobicContact CB-CG 4.12Å
309A97.5Very high97.3Very high68 Ų6823 Ų2356%0.56214%0.142SC*.Hα-helixtrans-64.8-44.7177.200000112.1T307 K312 N313T307-A309 VanDerWaalsContact C-N 3.26Å; T307-A309 PolarHBondContact O-N 3.5Å; A309-K312 PolarHBondContact O-N 3.21Å; A309-N313 PolarHBondContact O-N 2.68Å
310Q97.9Very high97.4Very high21 Ų2123.4 Ų23.410%0.09814%0.144CC..Hα-helixtrans-64.3-43.8173.6-66.3168-50.700111N280 V305 T307 K312 N313 L314N280-Q310 HydrophobicContact CB-CB 3.83Å; N280-Q310 HydrophobicContact CB-CG 3.57Å; V305-Q310 HydrophobicContact CB-CB 3.81Å; V305-Q310 HydrophobicContact CG1-CB 3.69Å; T307-Q310 VanDerWaalsContact N-OE1 3.1Å; T307-Q310 PolarHBondContact O-N 3.33Å; T307-Q310 VanDerWaalsContact OG1-CG 3.25Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.25Å; T307-Q310 PolarHBondContact OG1-N 2.72Å; T307-Q310 PolarHBondContact OG1-OE1 3.04Å; Q310-K312 VanDerWaalsContact C-N 3.33Å; Q310-K312 PolarHBondContact O-N 2.81Å; Q310-N313 PolarHBondContact O-N 2.95Å; Q310-L314 PolarHBondContact O-N 3.24Å
311A97.7Very high97.3Very high0 Ų023.4 Ų23.40%014%0.144CC..Hα-helixtrans-58.1-44.2177.600000111.9V305 T307 A308 N313 L314 I315 L322 V351 Y354V305-A311 HydrophobicContact CG2-CB 4.47Å; T307-A311 PolarHBondContact O-N 3.31Å; A308-A311 PolarHBondContact O-N 2.97Å; A311-N313 PolarHBondContact O-N 3.04Å; A311-L314 PolarHBondContact O-N 3.35Å; A311-I315 WeakPolarHBondContact O-CB 3.02Å; A311-I315 WeakPolarHBondContact O-CG1 3.38Å; A311-I315 PolarHBondContact O-N 3.02Å; A311-L322 HydrophobicContact CB-CD1 3.66Å; A311-V351 HydrophobicContact CB-CG1 3.81Å; A311-Y354 HydrophobicContact CB-CD1 4.34Å
312K98.1Very high97.3Very high90 Ų9023.3 Ų23.339%0.39114%0.144SC..Hα-helixtrans-52.6-52.2175.3176.8176.8-173.4-53.90111.9A308 A309 Q310 L314 I315 D316 Y354A308-K312 WeakPolarHBondContact O-CB 3.29Å; A308-K312 PolarHBondContact O-N 3.27Å; A309-K312 PolarHBondContact O-N 3.21Å; Q310-K312 VanDerWaalsContact C-N 3.33Å; Q310-K312 PolarHBondContact O-N 2.81Å; K312-L314 VanDerWaalsContact C-N 3.32Å; K312-L314 PolarHBondContact O-N 3.39Å; K312-I315 PolarHBondContact O-N 2.72Å; K312-D316 WeakPolarHBondContact CG-OD2 3.32Å; K312-D316 IonicContact NZ-OD2 3.8Å; K312-D316 PolarHBondContact NZ-OD2 2.67Å; K312-D316 WeakPolarHBondContact O-CB 3.43Å; K312-D316 PolarHBondContact O-N 3.32Å; K312-Y354 HydrophobicContact CB-CE1 3.75Å; K312-Y354 WeakPolarHBondContact CB-OH 3.49Å; K312-Y354 WeakPolarHBondContact CD-OH 3.42Å; K312-Y354 HydrophobicContact CG-CE1 4.42Å; K312-Y354 WeakPolarHBondContact CG-OH 3.48Å
313N98.2Very high97.3Very high61 Ų6123.4 Ų23.433%0.32614%0.144SC..Hα-helixtrans-62.8-38.8-175.9-67.2-12.2000112.6N280 I285 A309 Q310 A311 A317N280-N313 WeakPolarHBondContact OD1-CB 3.37Å; N280-N313 PolarHBondContact OD1-ND2 3.3Å; I285-N313 HydrophobicContact CD1-CB 4.22Å; A309-N313 PolarHBondContact O-N 2.68Å; Q310-N313 PolarHBondContact O-N 2.95Å; A311-N313 PolarHBondContact O-N 3.04Å; N313-A317 WeakPolarHBondContact O-CB 3.17Å; N313-A317 PolarHBondContact O-N 2.91Å; N313-A317 VanDerWaalsContact O-N 3.1Å
314L98.1Very high97.4Very high0 Ų023.4 Ų23.40%014%0.144CC..Hα-helixtrans-72.4-39.8177.3-60.8-170.3000111.8I285 I288 V305 Q310 A311 K312 A317 G318 V319 L322I285-L314 HydrophobicContact CG1-CD2 4.08Å; I288-L314 HydrophobicContact CD1-CD2 3.82Å; V305-L314 HydrophobicContact CG1-CD1 3.48Å; V305-L314 VanDerWaalsContact CG1-CD1 3.48Å; V305-L314 HydrophobicContact CG1-CG 4.33Å; Q310-L314 PolarHBondContact O-N 3.24Å; A311-L314 PolarHBondContact O-N 3.35Å; K312-L314 VanDerWaalsContact C-N 3.32Å; K312-L314 PolarHBondContact O-N 3.39Å; L314-A317 WeakPolarHBondContact O-CB 2.97Å; L314-A317 PolarHBondContact O-N 2.86Å; L314-G318 PolarHBondContact O-N 2.97Å; L314-V319 HydrophobicContact CB-CG1 4.13Å; L314-V319 HydrophobicContact CB-CG2 4.2Å; L314-V319 WeakPolarHBondContact O-CG1 3.23Å; L314-V319 WeakPolarHBondContact O-CG2 3.49Å; L314-V319 PolarHBondContact O-N 3.29Å; L314-L322 HydrophobicContact CB-CD2 3.87Å; L314-L322 HydrophobicContact CD1-CD2 4.1Å
315I97.9Very high97.4Very high13 Ų1323.2 Ų23.27%0.06714%0.144CC..Hα-helixtrans-60-47.9174.3-70172.1000110.5A311 K312 A317 G318 V319 L322 Y354 A355 F358 V360A311-I315 WeakPolarHBondContact O-CB 3.02Å; A311-I315 WeakPolarHBondContact O-CG1 3.38Å; A311-I315 PolarHBondContact O-N 3.02Å; K312-I315 PolarHBondContact O-N 2.72Å; I315-A317 PolarHBondContact O-N 3.43Å; I315-G318 PolarHBondContact O-N 3.47Å; I315-V319 HydrophobicContact CG1-CG2 4.33Å; I315-L322 HydrophobicContact CD1-CD1 3.82Å; I315-L322 HydrophobicContact CG1-CD1 3.98Å; I315-L322 HydrophobicContact CG1-CG 4.44Å; I315-Y354 HydrophobicContact CD1-CD1 4.13Å; I315-Y354 HydrophobicContact CD1-CE1 4.07Å; I315-A355 HydrophobicContact CD1-CB 4.19Å; I315-F358 HydrophobicContact CD1-CD2 4.2Å; I315-F358 HydrophobicContact CG2-CB 3.99Å; I315-F358 HydrophobicContact CG2-CD1 4.15Å; I315-F358 HydrophobicContact CG2-CD2 4.16Å; I315-F358 HydrophobicContact CG2-CG 3.83Å; I315-V360 HydrophobicContact CD1-CB 4.3Å; I315-V360 HydrophobicContact CD1-CG1 4.49Å; I315-V360 HydrophobicContact CD1-CG2 4.26Å; I315-V360 HydrophobicContact CG1-CB 4.39Å; I315-V360 HydrophobicContact CG1-CG1 4.25Å; I315-V360 HydrophobicContact CG1-CG2 4.05Å; I315-V360 HydrophobicContact CG2-CG2 4.24Å
316D97.7Very high97.2Very high92 Ų9223.9 Ų23.949%0.49215%0.147SC..Hα-helixtrans-63.3-28.7178-66.7-12.6000112K312 G318K312-D316 WeakPolarHBondContact CG-OD2 3.32Å; K312-D316 IonicContact NZ-OD2 3.8Å; K312-D316 PolarHBondContact NZ-OD2 2.67Å; K312-D316 WeakPolarHBondContact O-CB 3.43Å; K312-D316 PolarHBondContact O-N 3.32Å; D316-G318 VanDerWaalsContact C-N 3.25Å; D316-G318 PolarHBondContact O-N 3.45Å
317A97.4Very high96.7Very high10 Ų1024.2 Ų24.28%0.08315%0.151CC..Hα-helixtrans-73-16.7174.300000113.4I285 I288 N313 L314 I315I285-A317 HydrophobicContact CG2-CB 4.01Å; I288-A317 HydrophobicContact CB-CB 4.25Å; I288-A317 HydrophobicContact CD1-CB 4.15Å; I288-A317 HydrophobicContact CG2-CB 4.07Å; I288-A317 WeakPolarHBondContact CG2-O 3.43Å; N313-A317 WeakPolarHBondContact O-CB 3.17Å; N313-A317 PolarHBondContact O-N 2.91Å; N313-A317 VanDerWaalsContact O-N 3.1Å; L314-A317 WeakPolarHBondContact O-CB 2.97Å; L314-A317 PolarHBondContact O-N 2.86Å; I315-A317 PolarHBondContact O-N 3.43Å
318G96.8Very high96.2Very high26 Ų2623.1 Ų23.127%0.26815%0.146SC..THydrogen-bonded Turntrans106.224.6174.700000115.6L314 I315 D316L314-G318 PolarHBondContact O-N 2.97Å; I315-G318 PolarHBondContact O-N 3.47Å; D316-G318 VanDerWaalsContact C-N 3.25Å; D316-G318 PolarHBondContact O-N 3.45Å
319V97.3Very high95.7Very high0 Ų022.7 Ų22.70%015%0.145CC..  trans-65.4148.5174.5-59.10000112.3I288 L314 I315 L322I288-V319 HydrophobicContact CD1-CG1 3.38Å; I288-V319 HydrophobicContact CG1-CG1 3.85Å; I288-V319 HydrophobicContact CG2-CG1 3.92Å; L314-V319 HydrophobicContact CB-CG1 4.13Å; L314-V319 HydrophobicContact CB-CG2 4.2Å; L314-V319 WeakPolarHBondContact O-CG1 3.23Å; L314-V319 WeakPolarHBondContact O-CG2 3.49Å; L314-V319 PolarHBondContact O-N 3.29Å; I315-V319 HydrophobicContact CG1-CG2 4.33Å; V319-L322 HydrophobicContact CG2-CD2 3.87Å; V319-L322 HydrophobicContact CG2-CG 4.33Å
320D97.7Very high95Very high12 Ų1222.8 Ų22.86%0.06414%0.141CC..SBendtrans-94.8-17.5178.5-59.3-62.8000112.5K57 K292 Q299 V300 P361K57-D320 PolarHBondContact N-O 3.01Å; K292-D320 IonicContact NZ-OD1 3.29Å; K292-D320 IonicContact NZ-OD2 3.53Å; K292-D320 PolarHBondContact NZ-OD2 3.42Å; Q299-D320 WeakPolarHBondContact CA-OD2 3.15Å; V300-D320 PolarHBondContact N-OD2 2.9Å; V300-D320 PolarHBondContact O-N 3.26Å; D320-P361 WeakPolarHBondContact O-CD 3.33Å
321A97.5Very high94.3Very high0 Ų022.7 Ų22.70%014%0.141CC..EExtended strand (participates in β ladder)trans-155.6165169.600000111.6L55 T56 V300 I301 G302 P361L55-A321 VanDerWaalsContact O-CB 3.26Å; L55-A321 WeakPolarHBondContact O-CB 3.27Å; T56-A321 HydrophobicContact CG2-CB 4.26Å; V300-A321 PolarHBondContact O-N 3.32Å; I301-A321 WeakPolarHBondContact CA-O 3.4Å; I301-A321 HydrophobicContact CB-CB 4.48Å; I301-A321 HydrophobicContact CG1-CB 4.08Å; I301-A321 HydrophobicContact CG2-CB 4.2Å; G302-A321 PolarHBondContact N-O 3.29Å; A321-P361 WeakPolarHBondContact CA-O 3.25Å; A321-P361 HydrophobicContact CB-CB 4.36Å
322L97.7Very high93.8Very high0 Ų024.3 Ų24.30%015%0.152CC..EExtended strand (participates in β ladder)trans-117.4134.2176.5-71.1172.7000112G302 V305 A311 L314 I315 V319 V324 V351 A355 V360 P361 V362 I363G302-L322 CarbonylContact O-C 3.6Å; G302-L322 WeakPolarHBondContact O-CA 3.47Å; V305-L322 HydrophobicContact CG2-CD2 4.48Å; A311-L322 HydrophobicContact CB-CD1 3.66Å; L314-L322 HydrophobicContact CB-CD2 3.87Å; L314-L322 HydrophobicContact CD1-CD2 4.1Å; I315-L322 HydrophobicContact CD1-CD1 3.82Å; I315-L322 HydrophobicContact CG1-CD1 3.98Å; I315-L322 HydrophobicContact CG1-CG 4.44Å; V319-L322 HydrophobicContact CG2-CD2 3.87Å; V319-L322 HydrophobicContact CG2-CG 4.33Å; L322-V324 HydrophobicContact CB-CG2 4.47Å; L322-V351 HydrophobicContact CD1-CG1 3.98Å; L322-A355 HydrophobicContact CD1-CB 4.12Å; L322-V360 HydrophobicContact CD1-CG1 4.3Å; L322-V360 HydrophobicContact CG-CG1 3.98Å; L322-P361 PolarHBondContact N-O 2.78Å; L322-V362 HydrophobicContact CB-CG2 4.34Å; L322-V362 WeakPolarHBondContact O-CA 3.36Å; L322-I363 PolarHBondContact O-N 3.2Å
323R97.4Very high93.3Very high1 Ų122 Ų220%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-97.7119.4168.6-177178.4174.5-167.71.9110D275 I301 G302 N304 V305 D365 M387D275-R323 IonicContact OD1-CZ 2.91Å; D275-R323 IonicContact OD1-NH1 2.76Å; D275-R323 PolarHBondContact OD1-NH1 3.17Å; D275-R323 IonicContact OD1-NH2 2.73Å; I301-R323 HydrophobicContact CG2-CB 4.06Å; G302-R323 PolarHBondContact O-N 3.1Å; N304-R323 WeakPolarHBondContact CA-O 3.5Å; N304-R323 WeakPolarHBondContact OD1-CD 3.42Å; N304-R323 WeakPolarHBondContact OD1-CG 3.22Å; N304-R323 PolarHBondContact OD1-NE 3.16Å; V305-R323 PolarHBondContact N-O 3.44Å; R323-D365 HydrophobicContact CG-CB 4Å; R323-D365 IonicContact CZ-OD2 3.77Å; R323-D365 IonicContact NE-OD2 3.33Å; R323-D365 PolarHBondContact NE-OD2 3.04Å; R323-D365 IonicContact NH2-OD1 3.83Å; R323-D365 IonicContact NH2-OD2 2.58Å; R323-D365 PolarHBondContact NH2-OD2 3.29Å; R323-M387 PolarHBondContact NE-SD 3.47Å; R323-M387 PolarHBondContact NH2-SD 3.4Å; R323-M387 VanDerWaalsContact NH2-SD 3.4Å
324V97Very high92.7Very high0 Ų019.2 Ų19.20%013%0.129CC..EExtended strand (participates in β ladder)trans-114.1125.8-170.7178.20000111V305 L322 Q344 A347 V348 V351 V362 I363 D365V305-V324 HydrophobicContact CG2-CG2 3.93Å; V305-V324 VanDerWaalsContact O-CA 3.27Å; V305-V324 WeakPolarHBondContact O-CA 3.3Å; V305-V324 WeakPolarHBondContact O-CG1 3.46Å; L322-V324 HydrophobicContact CB-CG2 4.47Å; V324-Q344 PolarHBondContact O-NE2 3.18Å; V324-A347 HydrophobicContact CG1-CB 4.07Å; V324-V348 HydrophobicContact CG1-CG2 4.1Å; V324-V351 HydrophobicContact CG1-CB 4.34Å; V324-V351 HydrophobicContact CG1-CG2 4.26Å; V324-V351 HydrophobicContact CG2-CB 3.93Å; V324-V351 HydrophobicContact CG2-CG1 3.5Å; V324-V351 HydrophobicContact CG2-CG2 4.33Å; V324-V362 HydrophobicContact CB-CG1 4.05Å; V324-V362 HydrophobicContact CG2-CG1 3.49Å; V324-V362 VanDerWaalsContact CG2-CG1 3.49Å; V324-I363 PolarHBondContact N-O 2.7Å; V324-D365 PolarHBondContact O-N 3.44Å
325G94.5Very high92.2Very high2 Ų223 Ų232%0.02115%0.147CC..  trans140.8132.2173.600000113.5N304 V305N304-G325 WeakPolarHBondContact CB-O 3.42Å; N304-G325 PolarHBondContact ND2-O 2.95Å; V305-G325 PolarHBondContact O-N 2.93Å
326M93.9Very high91.7Very high15 Ų1530 Ų307%0.07418%0.179CC..SBendtrans-143.9122.7178.3-176.1-178.917500108.9Q278 V306 S328 T334 Q335 C340Q278-M326 HydrophobicContact CB-CE 4.13Å; Q278-M326 HydrophobicContact CB-SD 4.24Å; Q278-M326 HydrophobicContact CG-CE 4.31Å; Q278-M326 HydrophobicContact CG-SD 4.11Å; V306-M326 HydrophobicContact CG1-CB 3.49Å; V306-M326 VanDerWaalsContact CG1-CB 3.49Å; V306-M326 VanDerWaalsContact CG1-N 3.35Å; M326-S328 PolarHBondContact O-N 2.87Å; M326-T334 HydrophobicContact CE-CG2 3.84Å; M326-Q335 PolarHBondContact O-NE2 2.9Å; M326-C340 HydrophobicContact CE-CB 3.96Å
327G87.1Confident91.2Very high14 Ų1428.7 Ų28.714%0.14417%0.174CC..SBendtrans74.84.8178.700000116.2Q335G327-Q335 PolarHBondContact O-NE2 3.31Å
328S86.5Confident90.7Very high25 Ų2532 Ų3218%0.17519%0.19CC..  trans-94-8.2-178.156.20000114.2M326 Q344 D365 G367M326-S328 PolarHBondContact O-N 2.87Å; S328-Q344 PolarHBondContact OG-OE1 3.18Å; S328-D365 PolarHBondContact OG-O 2.98Å; S328-G367 WeakPolarHBondContact O-CA 3.4Å; S328-G367 PolarHBondContact O-N 2.93Å
329G85.1Confident90.4Very high26 Ų2635.2 Ų35.227%0.26821%0.214SC..SBendtrans-67.2148.5178.500000112.3I331 C332G329-I331 PolarHBondContact O-N 2.94Å; G329-C332 PolarHBondContact O-N 3.3Å
330S83.3Confident90.2Very high70 Ų7038 Ų3849%0.4923%0.233SC..THydrogen-bonded Turntrans-63.8-9.2-174.562.60000115.6S390S330-S390 WeakPolarHBondContact OG-CB 3.29Å
331I84.4Confident90Very high19 Ų1939 Ų3910%0.09725%0.246CC..THydrogen-bonded Turntrans-1268.1-178.463.9-163.6000111.5M70 G329 Y413 G415 G444 V445M70-I331 HydrophobicContact CE-CD1 3.47Å; M70-I331 VanDerWaalsContact CE-CD1 3.47Å; G329-I331 PolarHBondContact O-N 2.94Å; I331-Y413 HydrophobicContact CD1-CD1 4.24Å; I331-Y413 HydrophobicContact CD1-CE1 3.6Å; I331-Y413 HydrophobicContact CD1-CE2 4Å; I331-Y413 VanDerWaalsContact CD1-CZ 3.45Å; I331-Y413 HydrophobicContact CG1-CE1 4.39Å; I331-Y413 HydrophobicContact CG2-CD1 3.6Å; I331-Y413 HydrophobicContact CG2-CE1 3.46Å; I331-Y413 VanDerWaalsContact CG2-CE1 3.46Å; I331-G415 VanDerWaalsContact CD1-N 3.29Å; I331-G444 CarbonylContact O-C 3.45Å; I331-G444 WeakPolarHBondContact O-CA 3.42Å; I331-V445 HydrophobicContact CB-CG2 3.98Å; I331-V445 HydrophobicContact CG2-CG2 4.38Å; I331-V445 PolarHBondContact O-N 3.01Å
332C86.4Confident89.9Confident34 Ų3441.8 Ų41.823%0.2326%0.256CS..BIsolated β-bridgetrans-101.1127-176.4-169.60000108.8G329 T334 Q443G329-C332 PolarHBondContact O-N 3.3Å; C332-T334 PolarHBondContact SG-OG1 3.44Å; C332-Q443 PolarHBondContact SG-O 3.48Å
333I87.1Confident89.8Confident42 Ų4243.7 Ų43.722%0.21527%0.269CS..  trans-112.117.6177.658.7172.1000111.1Q335 E336 V337 Q443 V445I333-Q335 VanDerWaalsContact C-N 3.27Å; I333-Q335 PolarHBondContact O-N 3.33Å; I333-E336 HydrophobicContact CB-CB 4.44Å; I333-E336 WeakPolarHBondContact O-CB 3.34Å; I333-E336 PolarHBondContact O-N 2.85Å; I333-V337 HydrophobicContact CB-CG2 4.35Å; I333-V337 HydrophobicContact CD1-CG2 3.82Å; I333-V337 HydrophobicContact CG1-CG2 3.99Å; I333-V337 WeakPolarHBondContact O-CG2 3.4Å; I333-V337 PolarHBondContact O-N 3.32Å; I333-Q443 VanDerWaalsContact CG1-C 3.44Å; I333-Q443 PolarHBondContact N-O 3.15Å; I333-V445 HydrophobicContact CD1-CG1 4.23Å; I333-V445 HydrophobicContact CG2-CG1 4.02Å
334T86.1Confident89.7Confident3 Ų344 Ų442%0.01827%0.27CS..Hα-helixtrans-56.9-37.5179.5-61.40000112.7M326 C332 E336 L338 Q443M326-T334 HydrophobicContact CE-CG2 3.84Å; C332-T334 PolarHBondContact SG-OG1 3.44Å; T334-E336 VanDerWaalsContact C-N 3.32Å; T334-E336 PolarHBondContact O-N 2.76Å; T334-L338 HydrophobicContact CG2-CB 4.22Å; T334-L338 HydrophobicContact CG2-CD1 4.16Å; T334-L338 HydrophobicContact CG2-CG 4.37Å; T334-L338 WeakPolarHBondContact O-CA 3.43Å; T334-L338 WeakPolarHBondContact O-CB 3.41Å; T334-L338 PolarHBondContact O-N 3.11Å; T334-Q443 PolarHBondContact N-O 2.73Å; T334-Q443 PolarHBondContact OG1-OE1 3.4Å
335Q88Confident89.6Confident80 Ų8044 Ų4437%0.37427%0.27SS..Hα-helixtrans-67.7-34.9177.7-71.6-177.927.100112.2M326 G327 I333 A339M326-Q335 PolarHBondContact O-NE2 2.9Å; G327-Q335 PolarHBondContact O-NE2 3.31Å; I333-Q335 VanDerWaalsContact C-N 3.27Å; I333-Q335 PolarHBondContact O-N 3.33Å; Q335-A339 VanDerWaalsContact O-CA 3.26Å; Q335-A339 WeakPolarHBondContact O-CA 3.43Å; Q335-A339 PolarHBondContact O-N 3.42Å
336E86.4Confident89.7Confident159 Ų15944 Ų4474%0.74327%0.27SS*.Hα-helixtrans-72.8-47.4178.4-176.6-177.1167.300111I333 T334I333-E336 HydrophobicContact CB-CB 4.44Å; I333-E336 WeakPolarHBondContact O-CB 3.34Å; I333-E336 PolarHBondContact O-N 2.85Å; T334-E336 VanDerWaalsContact C-N 3.32Å; T334-E336 PolarHBondContact O-N 2.76Å
337V86.7Confident89.8Confident64 Ų6443.2 Ų43.239%0.38827%0.266SS..Hα-helixtrans-86.1-39.2-171-179.20000112.7I333 V441I333-V337 HydrophobicContact CB-CG2 4.35Å; I333-V337 HydrophobicContact CD1-CG2 3.82Å; I333-V337 HydrophobicContact CG1-CG2 3.99Å; I333-V337 WeakPolarHBondContact O-CG2 3.4Å; I333-V337 PolarHBondContact O-N 3.32Å; V337-V441 HydrophobicContact CG1-CG1 3.38Å
338L88.1Confident90.2Very high80 Ų8042.6 Ų42.642%0.41926%0.259SS..Hα-helixtrans-104-2.8-177.5-61.5-165.9000114.1T334 C340 Q443T334-L338 HydrophobicContact CG2-CB 4.22Å; T334-L338 HydrophobicContact CG2-CD1 4.16Å; T334-L338 HydrophobicContact CG2-CG 4.37Å; T334-L338 WeakPolarHBondContact O-CA 3.43Å; T334-L338 WeakPolarHBondContact O-CB 3.41Å; T334-L338 PolarHBondContact O-N 3.11Å; L338-C340 HydrophobicContact CB-CB 4.39Å; L338-C340 PolarHBondContact O-N 3.24Å; L338-Q443 HydrophobicContact CD1-CG 4.17Å; L338-Q443 VanDerWaalsContact CD1-OE1 3.31Å; L338-Q443 HydrophobicContact CG-CG 4.28Å
339A90.9Very high90.7Very high94 Ų9442.5 Ų42.578%0.77726%0.255SS*.  trans5323.7-174.900000113.8Q335Q335-A339 VanDerWaalsContact O-CA 3.26Å; Q335-A339 WeakPolarHBondContact O-CA 3.43Å; Q335-A339 PolarHBondContact O-N 3.42Å
340C93Very high91.2Very high57 Ų5744.2 Ų44.239%0.38526%0.255SS..  trans-122.1127.2-175.7-1650000110.7M326 L338M326-C340 HydrophobicContact CE-CB 3.96Å; L338-C340 HydrophobicContact CB-CB 4.39Å; L338-C340 PolarHBondContact O-N 3.24Å
341G93.2Very high91.9Very high33 Ų3340.9 Ų40.934%0.3423%0.232SC..  trans156.7-168.5178.600000111.1
342R95.1Very high92.4Very high59 Ų5940 Ų4022%0.22323%0.228CC..  trans-156.2147.2177.6-166176.2-166.7169.213.5110.7V306 Q344 A347V306-R342 HydrophobicContact CB-CB 3.95Å; V306-R342 HydrophobicContact CG1-CB 4.39Å; V306-R342 HydrophobicContact CG2-CB 4.34Å; V306-R342 VanDerWaalsContact O-CD 3.31Å; V306-R342 WeakPolarHBondContact O-CD 3.37Å; V306-R342 PolarHBondContact O-NH1 3.45Å; R342-Q344 PolarHBondContact O-N 3.19Å; R342-A347 HydrophobicContact CB-CB 4.27Å; R342-A347 HydrophobicContact CG-CB 4.35Å
343P95.8Very high92.7Very high41 Ų4141 Ų4127%0.26623%0.229SC..  trans-51.7124.9166.9-31.940.7000111.7L30 T31 A345 T346 A347L30-P343 WeakPolarHBondContact O-CB 3.38Å; T31-P343 HydrophobicContact CG2-CB 3.97Å; P343-A345 PolarHBondContact O-N 2.84Å; P343-T346 PolarHBondContact O-N 3.4Å; P343-A347 PolarHBondContact O-N 2.82Å
344Q95.2Very high93.2Very high6 Ų640.9 Ų40.93%0.02823%0.226CC..Hα-helixtrans-63.3-41.5-162.1-173.666.712.900113.3Y32 V324 S328 R342 T346 A347 V348 D365Y32-Q344 HydrophobicContact CE2-CB 4.11Å; Y32-Q344 HydrophobicContact CE2-CG 3.78Å; Y32-Q344 VanDerWaalsContact OH-CG 3.27Å; Y32-Q344 WeakPolarHBondContact OH-CG 3.21Å; V324-Q344 PolarHBondContact O-NE2 3.18Å; S328-Q344 PolarHBondContact OG-OE1 3.18Å; R342-Q344 PolarHBondContact O-N 3.19Å; Q344-T346 VanDerWaalsContact C-N 3.31Å; Q344-T346 PolarHBondContact O-N 3.35Å; Q344-A347 WeakPolarHBondContact O-CB 3.23Å; Q344-A347 PolarHBondContact O-N 2.81Å; Q344-V348 HydrophobicContact CG-CG2 4.38Å; Q344-V348 WeakPolarHBondContact O-CG2 3.24Å; Q344-V348 PolarHBondContact O-N 3.01Å; Q344-D365 PolarHBondContact NE2-O 3.25Å
345A95.3Very high93.6Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-62.2-42.5-179.800000111.1F24 L30 Y32 F35 P343 V348 Y349 L380F24-A345 HydrophobicContact CE1-CB 4.38Å; F24-A345 HydrophobicContact CZ-CB 4.45Å; L30-A345 WeakPolarHBondContact O-CB 3.49Å; L30-A345 PolarHBondContact O-N 2.94Å; Y32-A345 HydrophobicContact CD1-CB 3.82Å; Y32-A345 HydrophobicContact CE1-CB 4Å; F35-A345 HydrophobicContact CE1-CB 3.74Å; F35-A345 HydrophobicContact CZ-CB 4.39Å; P343-A345 PolarHBondContact O-N 2.84Å; A345-V348 PolarHBondContact O-N 2.93Å; A345-Y349 WeakPolarHBondContact O-CB 3.49Å; A345-Y349 PolarHBondContact O-N 2.83Å; A345-L380 HydrophobicContact CB-CD1 3.65Å
346T96.1Very high93.8Very high2 Ų241.5 Ų41.51%0.01223%0.225CC..Hα-helixtrans-64.9-39.9175.3-54.70000112.3F24 L30 P343 Q344 K350F24-T346 HydrophobicContact CD1-CG2 4.2Å; L30-T346 PolarHBondContact N-OG1 2.91Å; L30-T346 PolarHBondContact O-N 2.66Å; L30-T346 VanDerWaalsContact O-N 3.16Å; L30-T346 PolarHBondContact O-OG1 3.45Å; P343-T346 PolarHBondContact O-N 3.4Å; Q344-T346 VanDerWaalsContact C-N 3.31Å; Q344-T346 PolarHBondContact O-N 3.35Å; T346-K350 HydrophobicContact CG2-CD 4.33Å; T346-K350 HydrophobicContact CG2-CG 4.5Å; T346-K350 WeakPolarHBondContact O-CG 3.23Å; T346-K350 PolarHBondContact O-N 2.92Å; T346-K350 VanDerWaalsContact O-N 3.11Å
347A96.3Very high94.2Very high0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-62.2-49.5176.600000111.4V306 V324 R342 P343 Q344 V351V306-A347 HydrophobicContact CB-CB 4.19Å; V306-A347 HydrophobicContact CG1-CB 4.3Å; V324-A347 HydrophobicContact CG1-CB 4.07Å; R342-A347 HydrophobicContact CB-CB 4.27Å; R342-A347 HydrophobicContact CG-CB 4.35Å; P343-A347 PolarHBondContact O-N 2.82Å; Q344-A347 WeakPolarHBondContact O-CB 3.23Å; Q344-A347 PolarHBondContact O-N 2.81Å; A347-V351 WeakPolarHBondContact O-CB 3.39Å; A347-V351 VanDerWaalsContact O-CG2 3.27Å; A347-V351 WeakPolarHBondContact O-CG2 3.31Å; A347-V351 PolarHBondContact O-N 3.46Å
348V96.3Very high94.6Very high0 Ų042.6 Ų42.60%022%0.218CC..Hα-helixtrans-60-49.2178.4171.20000110.9V324 Q344 A345 S352 A364 L380 A382V324-V348 HydrophobicContact CG1-CG2 4.1Å; Q344-V348 HydrophobicContact CG-CG2 4.38Å; Q344-V348 WeakPolarHBondContact O-CG2 3.24Å; Q344-V348 PolarHBondContact O-N 3.01Å; A345-V348 PolarHBondContact O-N 2.93Å; V348-S352 WeakPolarHBondContact O-CB 3.37Å; V348-S352 PolarHBondContact O-N 3.08Å; V348-S352 PolarHBondContact O-OG 2.91Å; V348-A364 HydrophobicContact CG2-CB 3.7Å; V348-L380 HydrophobicContact CG1-CB 4.32Å; V348-A382 HydrophobicContact CG1-CB 4.05Å
349Y95.9Very high94.8Very high23 Ų2343.8 Ų43.89%0.0923%0.231CC..Hα-helixtrans-57.9-54.3-179.8176.5-99.7000112.1G20 Q21 F24 A345 V351 S352 E353 L380 M485G20-Y349 VanDerWaalsContact C-OH 3.3Å; Q21-Y349 WeakPolarHBondContact CA-OH 3.23Å; Q21-Y349 PolarHBondContact N-OH 3.38Å; F24-Y349 HydrophobicContact CB-CD1 3.53Å; F24-Y349 HydrophobicContact CB-CE1 3.59Å; F24-Y349 HydrophobicContact CB-CG 4.34Å; F24-Y349 HydrophobicContact CD1-CD1 4.27Å; F24-Y349 HydrophobicContact CD1-CG 4.43Å; F24-Y349 AromaticContact CD2-CD1 3.61Å; F24-Y349 HydrophobicContact CD2-CD1 3.61Å; F24-Y349 AromaticContact CD2-CD2 3.78Å; F24-Y349 HydrophobicContact CD2-CD2 3.78Å; F24-Y349 AromaticContact CD2-CE1 3.92Å; F24-Y349 HydrophobicContact CD2-CE1 3.92Å; F24-Y349 HydrophobicContact CD2-CE2 4.07Å; F24-Y349 AromaticContact CD2-CG 3.54Å; F24-Y349 HydrophobicContact CD2-CG 3.54Å; F24-Y349 HydrophobicContact CE2-CD1 4.44Å; F24-Y349 HydrophobicContact CE2-CD2 4.03Å; F24-Y349 AromaticContact CE2-CG 3.94Å; F24-Y349 HydrophobicContact CE2-CG 3.94Å; F24-Y349 AromaticContact CG-CD1 3.53Å; F24-Y349 HydrophobicContact CG-CD1 3.53Å; F24-Y349 AromaticContact CG-CE1 3.97Å; F24-Y349 HydrophobicContact CG-CE1 3.97Å; F24-Y349 AromaticContact CG-CG 3.84Å; F24-Y349 HydrophobicContact CG-CG 3.84Å; A345-Y349 WeakPolarHBondContact O-CB 3.49Å; A345-Y349 PolarHBondContact O-N 2.83Å; Y349-V351 PolarHBondContact O-N 3.33Å; Y349-S352 PolarHBondContact O-N 2.73Å; Y349-E353 WeakPolarHBondContact O-CB 3.19Å; Y349-E353 PolarHBondContact O-N 2.81Å; Y349-L380 HydrophobicContact CD2-CD2 4.21Å; Y349-M485 HydrophobicContact CD2-SD 4.24Å; Y349-M485 HydrophobicContact CE2-SD 3.73Å
350K96.2Very high95.1Very high62 Ų6239.5 Ų39.527%0.2720%0.195SC..Hα-helixtrans-69.6-34.3-175.1-63-163.8-168.6-164.20113.1F24 T346 Y354F24-K350 PolarHBondContact O-NZ 2.89Å; T346-K350 HydrophobicContact CG2-CD 4.33Å; T346-K350 HydrophobicContact CG2-CG 4.5Å; T346-K350 WeakPolarHBondContact O-CG 3.23Å; T346-K350 PolarHBondContact O-N 2.92Å; T346-K350 VanDerWaalsContact O-N 3.11Å; K350-Y354 PolarHBondContact O-N 2.76Å
351V96.7Very high95.2Very high0 Ų037.1 Ų37.10%018%0.179CC..Hα-helixtrans-72.1-41175.8175.60000110.8V305 A311 L322 V324 A347 Y349 Y354 A355 V362V305-V351 HydrophobicContact CG2-CG1 4.25Å; A311-V351 HydrophobicContact CB-CG1 3.81Å; L322-V351 HydrophobicContact CD1-CG1 3.98Å; V324-V351 HydrophobicContact CG1-CB 4.34Å; V324-V351 HydrophobicContact CG1-CG2 4.26Å; V324-V351 HydrophobicContact CG2-CB 3.93Å; V324-V351 HydrophobicContact CG2-CG1 3.5Å; V324-V351 HydrophobicContact CG2-CG2 4.33Å; A347-V351 WeakPolarHBondContact O-CB 3.39Å; A347-V351 VanDerWaalsContact O-CG2 3.27Å; A347-V351 WeakPolarHBondContact O-CG2 3.31Å; A347-V351 PolarHBondContact O-N 3.46Å; Y349-V351 PolarHBondContact O-N 3.33Å; V351-Y354 PolarHBondContact O-N 2.87Å; V351-A355 VanDerWaalsContact O-CB 3.24Å; V351-A355 WeakPolarHBondContact O-CB 3.47Å; V351-A355 PolarHBondContact O-N 3.08Å; V351-V362 HydrophobicContact CG1-CG2 4.14Å
352S95.2Very high95.3Very high1 Ų135.5 Ų35.51%0.00716%0.163CC..Hα-helixtrans-65.7-39.7178.4-54.50000112.3V348 Y349 Y354 A355 R356 V362 G381V348-S352 WeakPolarHBondContact O-CB 3.37Å; V348-S352 PolarHBondContact O-N 3.08Å; V348-S352 PolarHBondContact O-OG 2.91Å; Y349-S352 PolarHBondContact O-N 2.73Å; S352-Y354 VanDerWaalsContact C-N 3.26Å; S352-Y354 PolarHBondContact O-N 3.16Å; S352-A355 PolarHBondContact O-N 3.25Å; S352-R356 WeakPolarHBondContact O-CB 3.44Å; S352-R356 PolarHBondContact O-N 3.24Å; S352-V362 WeakPolarHBondContact OG-CG1 3.49Å; S352-G381 WeakPolarHBondContact CB-O 3.35Å; S352-G381 PolarHBondContact OG-O 2.83Å
353E94.1Very high95.4Very high54 Ų5432.7 Ų32.725%0.25215%0.152SC..Hα-helixtrans-60.7-34176.4-167.4-84.7133.600112.7Y349 R356 R357Y349-E353 WeakPolarHBondContact O-CB 3.19Å; Y349-E353 PolarHBondContact O-N 2.81Å; E353-R356 VanDerWaalsContact O-CG 3.3Å; E353-R356 WeakPolarHBondContact O-CG 3.33Å; E353-R356 PolarHBondContact O-NE 3.47Å; E353-R356 IonicContact OE1-CZ 3.67Å; E353-R356 IonicContact OE1-NH2 2.89Å; E353-R356 PolarHBondContact OE1-NH2 3.12Å; E353-R357 IonicContact OE1-CZ 2.73Å; E353-R357 IonicContact OE1-NE 2.72Å; E353-R357 IonicContact OE1-NH2 2.67Å; E353-R357 PolarHBondContact OE1-NH2 2.91Å; E353-R357 IonicContact OE2-NH2 3.96Å
354Y95.9Very high95.4Very high40 Ų4030.8 Ų30.816%0.15714%0.14CC..Hα-helixtrans-79.1-49.3172.9-175.5-94.9000112A308 A311 K312 I315 K350 V351 S352 R356 R357 F358A308-Y354 HydrophobicContact CB-CD2 4.38Å; A308-Y354 HydrophobicContact CB-CG 4.12Å; A311-Y354 HydrophobicContact CB-CD1 4.34Å; K312-Y354 HydrophobicContact CB-CE1 3.75Å; K312-Y354 WeakPolarHBondContact CB-OH 3.49Å; K312-Y354 WeakPolarHBondContact CD-OH 3.42Å; K312-Y354 HydrophobicContact CG-CE1 4.42Å; K312-Y354 WeakPolarHBondContact CG-OH 3.48Å; I315-Y354 HydrophobicContact CD1-CD1 4.13Å; I315-Y354 HydrophobicContact CD1-CE1 4.07Å; K350-Y354 PolarHBondContact O-N 2.76Å; V351-Y354 PolarHBondContact O-N 2.87Å; S352-Y354 VanDerWaalsContact C-N 3.26Å; S352-Y354 PolarHBondContact O-N 3.16Å; Y354-R356 VanDerWaalsContact C-N 3.3Å; Y354-R356 PolarHBondContact O-N 3.31Å; Y354-R357 WeakPolarHBondContact O-CB 3.39Å; Y354-R357 WeakPolarHBondContact O-CG 3.41Å; Y354-R357 PolarHBondContact O-N 2.86Å; Y354-R357 VanDerWaalsContact O-N 3.16Å; Y354-F358 HydrophobicContact CD1-CE2 4.29Å; Y354-F358 HydrophobicContact CE1-CD2 4.2Å; Y354-F358 AromaticContact CE1-CE2 3.62Å; Y354-F358 HydrophobicContact CE1-CE2 3.62Å; Y354-F358 HydrophobicContact CE2-CE2 4.24Å; Y354-F358 AromaticContact CZ-CE2 3.59Å
355A95.4Very high95.3Very high0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-63-32.3-173.800000113.4I315 L322 V351 S352 R357 F358 C359 V360 V362I315-A355 HydrophobicContact CD1-CB 4.19Å; L322-A355 HydrophobicContact CD1-CB 4.12Å; V351-A355 VanDerWaalsContact O-CB 3.24Å; V351-A355 WeakPolarHBondContact O-CB 3.47Å; V351-A355 PolarHBondContact O-N 3.08Å; S352-A355 PolarHBondContact O-N 3.25Å; A355-R357 PolarHBondContact O-N 3.02Å; A355-R357 VanDerWaalsContact O-N 3.17Å; A355-F358 PolarHBondContact O-N 2.85Å; A355-C359 PolarHBondContact O-N 2.84Å; A355-V360 HydrophobicContact CB-CB 4.33Å; A355-V360 WeakPolarHBondContact CB-O 3.47Å; A355-V360 PolarHBondContact O-N 2.69Å; A355-V362 HydrophobicContact CB-CG2 3.71Å
356R92.5Very high94.9Very high97 Ų9732 Ų3237%0.36615%0.15SC..G310 helixtrans-57.6-29.9176.673.7-172.5172.6157.30.4113.2S352 E353 Y354 F358 C359 Y486S352-R356 WeakPolarHBondContact O-CB 3.44Å; S352-R356 PolarHBondContact O-N 3.24Å; E353-R356 VanDerWaalsContact O-CG 3.3Å; E353-R356 WeakPolarHBondContact O-CG 3.33Å; E353-R356 PolarHBondContact O-NE 3.47Å; E353-R356 IonicContact OE1-CZ 3.67Å; E353-R356 IonicContact OE1-NH2 2.89Å; E353-R356 PolarHBondContact OE1-NH2 3.12Å; Y354-R356 VanDerWaalsContact C-N 3.3Å; Y354-R356 PolarHBondContact O-N 3.31Å; R356-F358 PolarHBondContact O-N 3.1Å; R356-F358 VanDerWaalsContact O-N 3.13Å; R356-C359 PolarHBondContact O-N 3.43Å; R356-C359 VanDerWaalsContact O-N 3.12Å; R356-Y486 VanDerWaalsContact CD-CZ 3.49Å
357R94.3Very high94.4Very high160 Ų16033 Ų3360%0.60416%0.16SC*.G310 helixtrans-64.1-18179.6-57.9179.6-172.2-160.20.3112.5E353 Y354 A355E353-R357 IonicContact OE1-CZ 2.73Å; E353-R357 IonicContact OE1-NE 2.72Å; E353-R357 IonicContact OE1-NH2 2.67Å; E353-R357 PolarHBondContact OE1-NH2 2.91Å; E353-R357 IonicContact OE2-NH2 3.96Å; Y354-R357 WeakPolarHBondContact O-CB 3.39Å; Y354-R357 WeakPolarHBondContact O-CG 3.41Å; Y354-R357 PolarHBondContact O-N 2.86Å; Y354-R357 VanDerWaalsContact O-N 3.16Å; A355-R357 PolarHBondContact O-N 3.02Å; A355-R357 VanDerWaalsContact O-N 3.17Å
358F95.5Very high94.1Very high86 Ų8633.5 Ų33.538%0.37716%0.163SC..G310 helixtrans-117.39.3-179.3-56.4-85000112.5I315 Y354 A355 R356 V360I315-F358 HydrophobicContact CD1-CD2 4.2Å; I315-F358 HydrophobicContact CG2-CB 3.99Å; I315-F358 HydrophobicContact CG2-CD1 4.15Å; I315-F358 HydrophobicContact CG2-CD2 4.16Å; I315-F358 HydrophobicContact CG2-CG 3.83Å; Y354-F358 HydrophobicContact CD1-CE2 4.29Å; Y354-F358 HydrophobicContact CE1-CD2 4.2Å; Y354-F358 AromaticContact CE1-CE2 3.62Å; Y354-F358 HydrophobicContact CE1-CE2 3.62Å; Y354-F358 HydrophobicContact CE2-CE2 4.24Å; Y354-F358 AromaticContact CZ-CE2 3.59Å; A355-F358 PolarHBondContact O-N 2.85Å; R356-F358 PolarHBondContact O-N 3.1Å; R356-F358 VanDerWaalsContact O-N 3.13Å; F358-V360 HydrophobicContact CB-CG2 3.9Å; F358-V360 PolarHBondContact O-N 3.43Å
359C92.3Very high93.6Very high104 Ų10439.1 Ų39.170%0.70319%0.189SC*.THydrogen-bonded Turntrans52.936-174-55.10000113A355 R356 P361A355-C359 PolarHBondContact O-N 2.84Å; R356-C359 PolarHBondContact O-N 3.43Å; R356-C359 VanDerWaalsContact O-N 3.12Å; C359-P361 WeakPolarHBondContact O-CD 3.39Å
360V96.1Very high93.3Very high4 Ų440.7 Ų40.72%0.02420%0.201CC..  trans-96.7116.4178.8176.40000109K57 I315 L322 A355 F358K57-V360 VanDerWaalsContact CE-CG2 3.48Å; I315-V360 HydrophobicContact CD1-CB 4.3Å; I315-V360 HydrophobicContact CD1-CG1 4.49Å; I315-V360 HydrophobicContact CD1-CG2 4.26Å; I315-V360 HydrophobicContact CG1-CB 4.39Å; I315-V360 HydrophobicContact CG1-CG1 4.25Å; I315-V360 HydrophobicContact CG1-CG2 4.05Å; I315-V360 HydrophobicContact CG2-CG2 4.24Å; L322-V360 HydrophobicContact CD1-CG1 4.3Å; L322-V360 HydrophobicContact CG-CG1 3.98Å; A355-V360 HydrophobicContact CB-CB 4.33Å; A355-V360 WeakPolarHBondContact CB-O 3.47Å; A355-V360 PolarHBondContact O-N 2.69Å; F358-V360 HydrophobicContact CB-CG2 3.9Å; F358-V360 PolarHBondContact O-N 3.43Å
361P95.6Very high93.1Very high7 Ų738.5 Ų38.55%0.04519%0.193CC..  trans-62.7146.6176.7-27.638.8000113.6A54 D320 A321 L322 C359 S383A54-P361 HydrophobicContact CB-CG 4.39Å; A54-P361 VanDerWaalsContact O-CB 3.25Å; A54-P361 WeakPolarHBondContact O-CB 3.4Å; A54-P361 WeakPolarHBondContact O-CG 3.29Å; D320-P361 WeakPolarHBondContact O-CD 3.33Å; A321-P361 WeakPolarHBondContact CA-O 3.25Å; A321-P361 HydrophobicContact CB-CB 4.36Å; L322-P361 PolarHBondContact N-O 2.78Å; C359-P361 WeakPolarHBondContact O-CD 3.39Å; P361-S383 WeakPolarHBondContact CA-OG 3.45Å
362V96.1Very high92.9Very high0 Ų040 Ų400%021%0.208CC..EExtended strand (participates in β ladder)trans-114.1132.2176.1170.20000111.5L322 V324 V351 S352 A355 A382 S383L322-V362 HydrophobicContact CB-CG2 4.34Å; L322-V362 WeakPolarHBondContact O-CA 3.36Å; V324-V362 HydrophobicContact CB-CG1 4.05Å; V324-V362 HydrophobicContact CG2-CG1 3.49Å; V324-V362 VanDerWaalsContact CG2-CG1 3.49Å; V351-V362 HydrophobicContact CG1-CG2 4.14Å; S352-V362 WeakPolarHBondContact OG-CG1 3.49Å; A355-V362 HydrophobicContact CB-CG2 3.71Å; V362-A382 CarbonylContact O-C 3.49Å; V362-S383 PolarHBondContact N-OG 2.93Å; V362-S383 PolarHBondContact O-N 3.47Å
363I96.6Very high92.9Very high0 Ų040.3 Ų40.30%021%0.21CC..EExtended strand (participates in β ladder)trans-104.8123.4175-55.6-169.7000108.6L55 I301 L322 V324 A385 M387L55-I363 HydrophobicContact CD1-CD1 3.7Å; I301-I363 HydrophobicContact CD1-CD1 3.74Å; I301-I363 HydrophobicContact CG2-CD1 4.19Å; L322-I363 PolarHBondContact O-N 3.2Å; V324-I363 PolarHBondContact N-O 2.7Å; I363-A385 CarbonylContact C-O 3.54Å; I363-A385 WeakPolarHBondContact CA-O 3.39Å; I363-A385 HydrophobicContact CB-CB 4.15Å; I363-A385 HydrophobicContact CD1-CB 4.09Å; I363-A385 HydrophobicContact CG1-CB 3.88Å; I363-A385 HydrophobicContact CG2-CB 3.68Å; I363-A385 VanDerWaalsContact CG2-O 3.29Å; I363-A385 WeakPolarHBondContact CG2-O 3.38Å; I363-M387 HydrophobicContact CG2-CB 3.87Å; I363-M387 HydrophobicContact CG2-CE 4.38Å
364A95.8Very high93Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-88.2114.3175.300000109.9V348 I368 A377 A382 A385 V386 M387V348-A364 HydrophobicContact CG2-CB 3.7Å; A364-I368 HydrophobicContact CB-CD1 4.44Å; A364-A377 HydrophobicContact CB-CB 4.06Å; A364-A382 HydrophobicContact CB-CB 4.22Å; A364-A385 PolarHBondContact N-O 2.7Å; A364-V386 WeakPolarHBondContact O-CA 3.4Å; A364-M387 PolarHBondContact O-N 3.06Å
365D93.8Very high92.9Very high19 Ų1936.1 Ų36.110%0.10219%0.193CC..EExtended strand (participates in β ladder)trans-113.8122.2-177.5179.527.9000111.6N304 R323 V324 S328 Q344 M387N304-D365 PolarHBondContact ND2-OD2 3.33Å; R323-D365 HydrophobicContact CG-CB 4Å; R323-D365 IonicContact CZ-OD2 3.77Å; R323-D365 IonicContact NE-OD2 3.33Å; R323-D365 PolarHBondContact NE-OD2 3.04Å; R323-D365 IonicContact NH2-OD1 3.83Å; R323-D365 IonicContact NH2-OD2 2.58Å; R323-D365 PolarHBondContact NH2-OD2 3.29Å; V324-D365 PolarHBondContact O-N 3.44Å; S328-D365 PolarHBondContact OG-O 2.98Å; Q344-D365 PolarHBondContact NE2-O 3.25Å; D365-M387 HydrophobicContact CB-CB 4.07Å; D365-M387 HydrophobicContact CB-SD 4.43Å
366G85.8Confident92.9Very high13 Ų1337 Ų3713%0.13420%0.197CC..SBendtrans89.1162.4178.800000115.2I368G366-I368 VanDerWaalsContact C-N 3.29Å; G366-I368 WeakPolarHBondContact O-CD1 3.18Å; G366-I368 PolarHBondContact O-N 2.91Å
367G85.9Confident93Very high23 Ų2332.4 Ų32.424%0.23718%0.179CC..  trans77.13.7177.700000116.1Y32 S328 H373Y32-G367 WeakPolarHBondContact CD2-O 3.36Å; S328-G367 WeakPolarHBondContact O-CA 3.4Å; S328-G367 PolarHBondContact O-N 2.93Å; G367-H373 PolarHBondContact O-ND1 3.1Å
368I89.8Confident93.1Very high10 Ų1024.9 Ų24.95%0.05115%0.151CC..  trans-101.8118.1-171.8-62.4142.8000109.1Y32 A364 G366 H373 I374 V386 L391Y32-I368 HydrophobicContact CD2-CG1 4.5Å; Y32-I368 HydrophobicContact CE2-CD1 4.45Å; Y32-I368 HydrophobicContact CE2-CG1 3.8Å; A364-I368 HydrophobicContact CB-CD1 4.44Å; G366-I368 VanDerWaalsContact C-N 3.29Å; G366-I368 WeakPolarHBondContact O-CD1 3.18Å; G366-I368 PolarHBondContact O-N 2.91Å; I368-H373 HydrophobicContact CB-CB 4.27Å; I368-H373 HydrophobicContact CG1-CB 4.24Å; I368-H373 HydrophobicContact CG2-CB 3.94Å; I368-I374 HydrophobicContact CG2-CD1 4.43Å; I368-I374 HydrophobicContact CG2-CG1 3.55Å; I368-V386 HydrophobicContact CB-CG1 3.95Å; I368-V386 HydrophobicContact CD1-CB 4.05Å; I368-V386 HydrophobicContact CD1-CG1 3.18Å; I368-V386 HydrophobicContact CD1-CG2 4.11Å; I368-V386 HydrophobicContact CG1-CG1 3.85Å; I368-V386 HydrophobicContact CG2-CG1 3.55Å; I368-L391 HydrophobicContact CG2-CD1 3.79Å
369Q86.3Confident93Very high119 Ų11920.8 Ų20.856%0.55613%0.133SC*.  trans-119.7-22.4-174.9-62.8175.7-13.500112.7H373 L391Q369-H373 PolarHBondContact N-ND1 3.15Å; Q369-L391 WeakPolarHBondContact O-CD2 3.36Å
370T89.7Confident93.1Very high56 Ų5615.9 Ų15.934%0.34410%0.1SC..SBendtrans-142.1162.9-172.165.90000110.2G372 H373 I374T370-G372 PolarHBondContact O-N 3.45Å; T370-G372 PolarHBondContact OG1-N 3.29Å; T370-H373 PolarHBondContact O-N 3.47Å; T370-H373 PolarHBondContact OG1-CD2 3.24Å; T370-H373 VanDerWaalsContact OG1-CD2 3.27Å; T370-H373 PolarHBondContact OG1-N 3.29Å; T370-I374 PolarHBondContact O-N 3.45Å
371V92Very high92.6Very high16 Ų1615.7 Ų15.710%0.09710%0.098CC..Hα-helixtrans-55.1-37.1171177.50000111.3H373 I374 A375 Y461 L462V371-H373 VanDerWaalsContact C-N 3.3Å; V371-H373 PolarHBondContact O-N 3.12Å; V371-I374 WeakPolarHBondContact O-CA 3.49Å; V371-I374 VanDerWaalsContact O-CB 3.3Å; V371-I374 WeakPolarHBondContact O-CB 3.46Å; V371-I374 PolarHBondContact O-N 2.93Å; V371-A375 PolarHBondContact O-N 2.75Å; V371-Y461 HydrophobicContact CG2-CE1 3.92Å; V371-L462 HydrophobicContact CG2-CD2 3.61Å
372G93.2Very high92Very high31 Ų3115.3 Ų15.332%0.3210%0.096SC..Hα-helixtrans-60.6-36175.900000113.3T370 I374 A375 K376T370-G372 PolarHBondContact O-N 3.45Å; T370-G372 PolarHBondContact OG1-N 3.29Å; G372-I374 VanDerWaalsContact C-N 3.32Å; G372-A375 PolarHBondContact O-N 3.48Å; G372-K376 WeakPolarHBondContact O-CB 3.18Å; G372-K376 VanDerWaalsContact O-CG 3.26Å; G372-K376 WeakPolarHBondContact O-CG 3.43Å; G372-K376 PolarHBondContact O-N 3.33Å
373H94.8Very high90.6Very high8 Ų816.4 Ų16.44%0.03710%0.104CC..Hα-helixtrans-69.1-34.6174.6-64.7-171.9000111.4Y32 N33 G367 I368 Q369 T370 V371 A377Y32-H373 HydrophobicContact CD2-CB 4.1Å; Y32-H373 HydrophobicContact CG-CB 4.23Å; N33-H373 PolarHBondContact OD1-NE2 2.73Å; G367-H373 PolarHBondContact O-ND1 3.1Å; I368-H373 HydrophobicContact CB-CB 4.27Å; I368-H373 HydrophobicContact CG1-CB 4.24Å; I368-H373 HydrophobicContact CG2-CB 3.94Å; Q369-H373 PolarHBondContact N-ND1 3.15Å; T370-H373 PolarHBondContact O-N 3.47Å; T370-H373 PolarHBondContact OG1-CD2 3.24Å; T370-H373 VanDerWaalsContact OG1-CD2 3.27Å; T370-H373 PolarHBondContact OG1-N 3.29Å; V371-H373 VanDerWaalsContact C-N 3.3Å; V371-H373 PolarHBondContact O-N 3.12Å; H373-A377 WeakPolarHBondContact O-CB 3.07Å; H373-A377 PolarHBondContact O-N 2.65Å
374I94.6Very high88.9Confident0 Ų016.4 Ų16.40%010%0.104CC..Hα-helixtrans-62.3-53174.8-59.2178.1000109.5F65 I368 T370 V371 G372 K376 A377 L378 V386 M388 L462F65-I374 HydrophobicContact CE1-CD1 4.05Å; F65-I374 HydrophobicContact CE1-CG2 4Å; I368-I374 HydrophobicContact CG2-CD1 4.43Å; I368-I374 HydrophobicContact CG2-CG1 3.55Å; T370-I374 PolarHBondContact O-N 3.45Å; V371-I374 WeakPolarHBondContact O-CA 3.49Å; V371-I374 VanDerWaalsContact O-CB 3.3Å; V371-I374 WeakPolarHBondContact O-CB 3.46Å; V371-I374 PolarHBondContact O-N 2.93Å; G372-I374 VanDerWaalsContact C-N 3.32Å; I374-K376 VanDerWaalsContact C-N 3.31Å; I374-K376 PolarHBondContact O-N 2.87Å; I374-A377 PolarHBondContact O-N 2.73Å; I374-L378 HydrophobicContact CG2-CD1 3.87Å; I374-L378 HydrophobicContact CG2-CG 4.46Å; I374-L378 WeakPolarHBondContact O-CG 3.28Å; I374-L378 PolarHBondContact O-N 3.46Å; I374-V386 HydrophobicContact CB-CG2 4.24Å; I374-V386 HydrophobicContact CD1-CG1 4.46Å; I374-V386 HydrophobicContact CG1-CB 4.37Å; I374-V386 HydrophobicContact CG1-CG1 3.82Å; I374-V386 HydrophobicContact CG1-CG2 4.39Å; I374-V386 HydrophobicContact CG2-CB 4.28Å; I374-V386 HydrophobicContact CG2-CG2 3.86Å; I374-M388 HydrophobicContact CD1-SD 4Å; I374-L462 HydrophobicContact CD1-CD2 4.23Å
375A94.6Very high87.3Confident6 Ų616.4 Ų16.45%0.0510%0.104CC..Hα-helixtrans-57-44178.800000111.9V371 G372 L378 A379V371-A375 PolarHBondContact O-N 2.75Å; G372-A375 PolarHBondContact O-N 3.48Å; A375-L378 PolarHBondContact O-N 2.85Å; A375-A379 WeakPolarHBondContact O-CB 3.26Å; A375-A379 PolarHBondContact O-N 3.36Å
376K95.7Very high86.4Confident19 Ų1915.5 Ų15.58%0.08310%0.099CC..Hα-helixtrans-62.6-46.1175.4-72177.9-167-175.70112.8Y32 F35 I37 G372 I374 L378 A379 L380Y32-K376 HydrophobicContact CD1-CB 4.1Å; Y32-K376 WeakPolarHBondContact O-CD 3.32Å; Y32-K376 WeakPolarHBondContact O-CE 3.39Å; Y32-K376 PolarHBondContact O-NZ 2.87Å; F35-K376 HydrophobicContact CE2-CB 4.36Å; F35-K376 HydrophobicContact CE2-CD 4.12Å; F35-K376 HydrophobicContact CE2-CG 4.12Å; F35-K376 HydrophobicContact CZ-CB 4.05Å; F35-K376 HydrophobicContact CZ-CD 4.06Å; F35-K376 HydrophobicContact CZ-CG 4.2Å; F35-K376 WeakPolarHBondContact O-CE 3.45Å; F35-K376 PolarHBondContact O-NZ 2.93Å; I37-K376 HydrophobicContact CD1-CG 4.08Å; I37-K376 HydrophobicContact CG1-CG 4.37Å; G372-K376 WeakPolarHBondContact O-CB 3.18Å; G372-K376 VanDerWaalsContact O-CG 3.26Å; G372-K376 WeakPolarHBondContact O-CG 3.43Å; G372-K376 PolarHBondContact O-N 3.33Å; I374-K376 VanDerWaalsContact C-N 3.31Å; I374-K376 PolarHBondContact O-N 2.87Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.42Å; K376-A379 PolarHBondContact O-N 3.32Å; K376-L380 VanDerWaalsContact O-CG 3.25Å; K376-L380 WeakPolarHBondContact O-CG 3.44Å; K376-L380 PolarHBondContact O-N 3.42Å
377A95.5Very high86.4Confident0 Ų015 Ų150%09%0.093CC..Hα-helixtrans-60.1-43.2177.900000111.9Y32 A364 H373 I374 L380 A382 V386Y32-A377 HydrophobicContact CE1-CB 3.8Å; A364-A377 HydrophobicContact CB-CB 4.06Å; H373-A377 WeakPolarHBondContact O-CB 3.07Å; H373-A377 PolarHBondContact O-N 2.65Å; I374-A377 PolarHBondContact O-N 2.73Å; A377-L380 PolarHBondContact O-N 3.27Å; A377-A382 WeakPolarHBondContact O-CB 3.22Å; A377-A382 PolarHBondContact O-N 3.39Å; A377-V386 HydrophobicContact CB-CG2 3.92Å
378L94.6Very high86.4Confident2 Ų214 Ų141%0.018%0.082CC..Hα-helixtrans-64.9-43.3177.3-66.8172000112P64 I374 A375 K376 L380 G381 T466 L478 L481P64-L378 HydrophobicContact CB-CD1 4.3Å; P64-L378 HydrophobicContact CB-CD2 3.97Å; P64-L378 HydrophobicContact CG-CD1 3.91Å; P64-L378 HydrophobicContact CG-CD2 4.49Å; I374-L378 HydrophobicContact CG2-CD1 3.87Å; I374-L378 HydrophobicContact CG2-CG 4.46Å; I374-L378 WeakPolarHBondContact O-CG 3.28Å; I374-L378 PolarHBondContact O-N 3.46Å; A375-L378 PolarHBondContact O-N 2.85Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.42Å; L378-L380 VanDerWaalsContact C-N 3.29Å; L378-L380 PolarHBondContact O-N 3.39Å; L378-G381 PolarHBondContact O-N 3.16Å; L378-T466 HydrophobicContact CD1-CG2 3.84Å; L378-L478 HydrophobicContact CB-CD2 4.3Å; L378-L478 HydrophobicContact CD1-CD1 4.42Å; L378-L478 HydrophobicContact CD1-CD2 3.91Å; L378-L478 HydrophobicContact CD2-CD1 4.45Å; L378-L481 HydrophobicContact CB-CD2 4.3Å
379A94.1Very high86.3Confident0 Ų014.1 Ų14.10%09%0.086CC..Hα-helixtrans-62.5-35176.900000112.9I37 A375 K376 G381 L481 M485 L490I37-A379 HydrophobicContact CD1-CB 3.45Å; I37-A379 VanDerWaalsContact CD1-CB 3.45Å; A375-A379 WeakPolarHBondContact O-CB 3.26Å; A375-A379 PolarHBondContact O-N 3.36Å; K376-A379 PolarHBondContact O-N 3.32Å; A379-G381 PolarHBondContact O-N 3.26Å; A379-L481 HydrophobicContact CB-CD1 4.13Å; A379-L481 HydrophobicContact CB-CD2 4.11Å; A379-L481 HydrophobicContact CB-CG 4.2Å; A379-M485 WeakPolarHBondContact O-CB 3.41Å; A379-M485 VanDerWaalsContact O-CG 3.3Å; A379-M485 WeakPolarHBondContact O-CG 3.27Å; A379-L490 HydrophobicContact CB-CD2 4.12Å
380L93.8Very high86.3Confident0 Ų09.5 Ų9.50%07%0.067CC..THydrogen-bonded Turntrans-74.93.4178.8-69-177.7000114.9F24 F35 A345 V348 Y349 K376 A377 L378 M485 F492F24-L380 HydrophobicContact CD2-CD2 4.48Å; F24-L380 HydrophobicContact CE2-CD1 4.39Å; F24-L380 HydrophobicContact CE2-CD2 3.35Å; F24-L380 HydrophobicContact CE2-CG 4.5Å; F24-L380 HydrophobicContact CZ-CD1 3.8Å; F24-L380 HydrophobicContact CZ-CD2 3.62Å; F24-L380 HydrophobicContact CZ-CG 4.37Å; F35-L380 HydrophobicContact CE1-CD1 4.2Å; F35-L380 HydrophobicContact CE2-CD2 4.39Å; F35-L380 HydrophobicContact CZ-CD1 3.65Å; F35-L380 HydrophobicContact CZ-CD2 4.22Å; F35-L380 HydrophobicContact CZ-CG 4.1Å; A345-L380 HydrophobicContact CB-CD1 3.65Å; V348-L380 HydrophobicContact CG1-CB 4.32Å; Y349-L380 HydrophobicContact CD2-CD2 4.21Å; K376-L380 VanDerWaalsContact O-CG 3.25Å; K376-L380 WeakPolarHBondContact O-CG 3.44Å; K376-L380 PolarHBondContact O-N 3.42Å; A377-L380 PolarHBondContact O-N 3.27Å; L378-L380 VanDerWaalsContact C-N 3.29Å; L378-L380 PolarHBondContact O-N 3.39Å; L380-M485 VanDerWaalsContact C-CE 3.45Å; L380-M485 WeakPolarHBondContact O-CE 3.4Å; L380-F492 HydrophobicContact CD2-CE1 4.03Å; L380-F492 HydrophobicContact CD2-CZ 4.16Å
381G85.9Confident86.1Confident0 Ų07.4 Ų7.40%05%0.053CC..THydrogen-bonded Turntrans108.40.4173.800000114.9S352 L378 A379 S383S352-G381 WeakPolarHBondContact CB-O 3.35Å; S352-G381 PolarHBondContact OG-O 2.83Å; L378-G381 PolarHBondContact O-N 3.16Å; A379-G381 PolarHBondContact O-N 3.26Å; G381-S383 PolarHBondContact O-N 2.93Å; G381-S383 VanDerWaalsContact O-N 3.14Å
382A82.6Confident86Confident0 Ų06.6 Ų6.60%05%0.049CC..  trans-57.1123.4169.100000109V348 V362 A364 A377 R482V348-A382 HydrophobicContact CG1-CB 4.05Å; V362-A382 CarbonylContact O-C 3.49Å; A364-A382 HydrophobicContact CB-CB 4.22Å; A377-A382 WeakPolarHBondContact O-CB 3.22Å; A377-A382 PolarHBondContact O-N 3.39Å; A382-R482 PolarHBondContact O-NH1 2.85Å
383S68.7Low85.8Confident22 Ų225.2 Ų5.215%0.1543%0.034CC..  trans-79.5-29.1-167.5-59.10000112S53 P361 V362 G381 R482S53-S383 VanDerWaalsContact CB-O 3.3Å; S53-S383 WeakPolarHBondContact CB-O 3.09Å; P361-S383 WeakPolarHBondContact CA-OG 3.45Å; V362-S383 PolarHBondContact N-OG 2.93Å; V362-S383 PolarHBondContact O-N 3.47Å; G381-S383 PolarHBondContact O-N 2.93Å; G381-S383 VanDerWaalsContact O-N 3.14Å; S383-R482 PolarHBondContact O-NH1 3.12Å
384T59.6Low85.2Confident0 Ų04.8 Ų4.80%03%0.032CC..SBendtrans-152.8-26.1-165.6-4.10000119.8S53 A54 L55 M61 P64S53-T384 VanDerWaalsContact CB-CG2 3.41Å; S53-T384 WeakPolarHBondContact O-CG2 3.36Å; S53-T384 VanDerWaalsContact OG-CG2 3.31Å; S53-T384 WeakPolarHBondContact OG-CG2 3.33Å; A54-T384 VanDerWaalsContact C-OG1 3.27Å; A54-T384 VanDerWaalsContact O-CB 3.26Å; A54-T384 WeakPolarHBondContact O-CB 3.35Å; A54-T384 WeakPolarHBondContact O-CG2 3.49Å; A54-T384 PolarHBondContact O-OG1 3.26Å; L55-T384 VanDerWaalsContact CA-CG2 3.41Å; L55-T384 WeakPolarHBondContact CA-OG1 3.47Å; L55-T384 HydrophobicContact CB-CG2 4.15Å; M61-T384 HydrophobicContact CE-CG2 3.88Å; P64-T384 CarbonylContact C-O 3.56Å; P64-T384 VanDerWaalsContact C-O 3.22Å; P64-T384 WeakPolarHBondContact CA-O 3.34Å; P64-T384 VanDerWaalsContact CB-O 3.3Å; P64-T384 WeakPolarHBondContact CB-O 3.29Å
385A62.1Low85.1Confident0 Ų04.8 Ų4.80%03%0.032CC..EExtended strand (participates in β ladder)trans-153.4110.2-159.300000109.8L55 P64 V66 I363 A364 M387L55-A385 HydrophobicContact CD1-CB 4.35Å; P64-A385 WeakPolarHBondContact O-CA 3.48Å; V66-A385 HydrophobicContact CB-CB 3.88Å; V66-A385 HydrophobicContact CG2-CB 3.18Å; I363-A385 CarbonylContact C-O 3.54Å; I363-A385 WeakPolarHBondContact CA-O 3.39Å; I363-A385 HydrophobicContact CB-CB 4.15Å; I363-A385 HydrophobicContact CD1-CB 4.09Å; I363-A385 HydrophobicContact CG1-CB 3.88Å; I363-A385 HydrophobicContact CG2-CB 3.68Å; I363-A385 VanDerWaalsContact CG2-O 3.29Å; I363-A385 WeakPolarHBondContact CG2-O 3.38Å; A364-A385 PolarHBondContact N-O 2.7Å; A385-M387 PolarHBondContact O-N 3.5Å
386V75.8Confident84.9Confident0 Ų07.3 Ų7.30%05%0.049CC..EExtended strand (participates in β ladder)trans-77.6103.6154.4166.10000105.1P64 V66 A364 I368 I374 A377 M388P64-V386 PolarHBondContact O-N 3.07Å; V66-V386 PolarHBondContact N-O 2.9Å; A364-V386 WeakPolarHBondContact O-CA 3.4Å; I368-V386 HydrophobicContact CB-CG1 3.95Å; I368-V386 HydrophobicContact CD1-CB 4.05Å; I368-V386 HydrophobicContact CD1-CG1 3.18Å; I368-V386 HydrophobicContact CD1-CG2 4.11Å; I368-V386 HydrophobicContact CG1-CG1 3.85Å; I368-V386 HydrophobicContact CG2-CG1 3.55Å; I374-V386 HydrophobicContact CB-CG2 4.24Å; I374-V386 HydrophobicContact CD1-CG1 4.46Å; I374-V386 HydrophobicContact CG1-CB 4.37Å; I374-V386 HydrophobicContact CG1-CG1 3.82Å; I374-V386 HydrophobicContact CG1-CG2 4.39Å; I374-V386 HydrophobicContact CG2-CB 4.28Å; I374-V386 HydrophobicContact CG2-CG2 3.86Å; A377-V386 HydrophobicContact CB-CG2 3.92Å; V386-M388 HydrophobicContact CG1-CG 3.62Å; V386-M388 HydrophobicContact CG1-SD 4.27Å; V386-M388 PolarHBondContact O-N 3.35Å
387M84.5Confident84.9Confident2 Ų27.9 Ų7.91%0.015%0.052CC..EExtended strand (participates in β ladder)trans-75.1115.2174.1-176.9172.9-77.600108.3V66 P69 F90 R323 I363 A364 D365 A385V66-M387 HydrophobicContact CG1-CE 3.77Å; V66-M387 HydrophobicContact CG1-CG 4.42Å; V66-M387 CarbonylContact O-C 3.5Å; V66-M387 WeakPolarHBondContact O-CA 3.48Å; P69-M387 VanDerWaalsContact CD-SD 3.57Å; F90-M387 HydrophobicContact CD2-CE 4.02Å; F90-M387 HydrophobicContact CE2-CE 4.32Å; R323-M387 PolarHBondContact NE-SD 3.47Å; R323-M387 PolarHBondContact NH2-SD 3.4Å; R323-M387 VanDerWaalsContact NH2-SD 3.4Å; I363-M387 HydrophobicContact CG2-CB 3.87Å; I363-M387 HydrophobicContact CG2-CE 4.38Å; A364-M387 PolarHBondContact O-N 3.06Å; D365-M387 HydrophobicContact CB-CB 4.07Å; D365-M387 HydrophobicContact CB-SD 4.43Å; A385-M387 PolarHBondContact O-N 3.5Å
388M87.6Confident84.7Confident3 Ų38.1 Ų8.12%0.0155%0.054CC..EExtended strand (participates in β ladder)trans-107.4123.2-170.1-69.7-179.4-71.300110.8F65 V66 S68 I374 V386 L391 L392 L462F65-M388 HydrophobicContact CB-CE 3.66Å; F65-M388 HydrophobicContact CD1-CE 3.69Å; F65-M388 HydrophobicContact CG-CE 3.93Å; V66-M388 PolarHBondContact O-N 3.4Å; S68-M388 PolarHBondContact N-O 3.02Å; S68-M388 VanDerWaalsContact N-O 3.1Å; I374-M388 HydrophobicContact CD1-SD 4Å; V386-M388 HydrophobicContact CG1-CG 3.62Å; V386-M388 HydrophobicContact CG1-SD 4.27Å; V386-M388 PolarHBondContact O-N 3.35Å; M388-L391 HydrophobicContact CB-CB 4.17Å; M388-L391 HydrophobicContact CG-CB 4.36Å; M388-L391 HydrophobicContact CG-CD1 3.99Å; M388-L391 HydrophobicContact SD-CB 4.15Å; M388-L391 HydrophobicContact SD-CD1 3.61Å; M388-L392 HydrophobicContact CB-CD1 3.95Å; M388-L392 HydrophobicContact CB-CG 3.99Å; M388-L392 HydrophobicContact CE-CD1 4.28Å; M388-L462 HydrophobicContact CE-CD1 4.16Å; M388-L462 HydrophobicContact SD-CD1 3.94Å
389G86.6Confident84.5Confident12 Ų128.8 Ų8.812%0.1246%0.059CC..SBendtrans-98.3-83.6169.500000111.1L391 L392 A393 Y413G389-L391 PolarHBondContact O-N 3.37Å; G389-L391 VanDerWaalsContact O-N 3.12Å; G389-L392 PolarHBondContact O-N 3.38Å; G389-A393 PolarHBondContact O-N 3.24Å; G389-Y413 WeakPolarHBondContact CA-OH 3.23Å
390S86.6Confident84.1Confident23 Ų2311.3 Ų11.316%0.1619%0.085CC..THydrogen-bonded Turntrans-59.1-26.9-173.961.50000115.1S330 L392 Y413 K452S330-S390 WeakPolarHBondContact OG-CB 3.29Å; S390-L392 VanDerWaalsContact C-N 3.28Å; S390-L392 PolarHBondContact O-N 3.18Å; S390-Y413 PolarHBondContact N-OH 3.42Å; S390-Y413 VanDerWaalsContact N-OH 3.08Å; S390-K452 PolarHBondContact O-NZ 3.29Å
391L86.2Confident83.5Confident11 Ų1119.3 Ų19.36%0.05812%0.122CC..THydrogen-bonded Turntrans-62.9-36.9173.7-79.2176.6000111.8I368 Q369 M388 G389 K452 F458I368-L391 HydrophobicContact CG2-CD1 3.79Å; Q369-L391 WeakPolarHBondContact O-CD2 3.36Å; M388-L391 HydrophobicContact CB-CB 4.17Å; M388-L391 HydrophobicContact CG-CB 4.36Å; M388-L391 HydrophobicContact CG-CD1 3.99Å; M388-L391 HydrophobicContact SD-CB 4.15Å; M388-L391 HydrophobicContact SD-CD1 3.61Å; G389-L391 PolarHBondContact O-N 3.37Å; G389-L391 VanDerWaalsContact O-N 3.12Å; L391-K452 WeakPolarHBondContact O-CD 3.41Å; L391-K452 PolarHBondContact O-NZ 2.81Å; L391-F458 HydrophobicContact CB-CE1 4.38Å; L391-F458 HydrophobicContact CD2-CZ 4.17Å; L391-F458 WeakPolarHBondContact O-CE1 3.45Å
392L90.1Very high83.6Confident0 Ų021.5 Ų21.50%013%0.131CC..THydrogen-bonded Turntrans-103.1-20.2-175-59.7179.8000113.9V73 M78 M82 M388 G389 S390 A394 T395 I455 F458V73-L392 HydrophobicContact CG1-CB 4.15Å; M78-L392 HydrophobicContact CE-CB 4.04Å; M78-L392 HydrophobicContact SD-CD1 4.34Å; M82-L392 HydrophobicContact CE-CD1 4.27Å; M82-L392 HydrophobicContact SD-CD1 3.91Å; M388-L392 HydrophobicContact CB-CD1 3.95Å; M388-L392 HydrophobicContact CB-CG 3.99Å; M388-L392 HydrophobicContact CE-CD1 4.28Å; G389-L392 PolarHBondContact O-N 3.38Å; S390-L392 VanDerWaalsContact C-N 3.28Å; S390-L392 PolarHBondContact O-N 3.18Å; L392-A394 PolarHBondContact O-N 2.86Å; L392-A394 VanDerWaalsContact O-N 3.1Å; L392-T395 WeakPolarHBondContact O-CB 3.28Å; L392-T395 VanDerWaalsContact O-CG2 3.29Å; L392-T395 WeakPolarHBondContact O-CG2 3.32Å; L392-T395 PolarHBondContact O-N 3.09Å; L392-T395 VanDerWaalsContact O-N 3.15Å; L392-T395 PolarHBondContact O-OG1 3.31Å; L392-I455 HydrophobicContact CD2-CG2 4.46Å; L392-F458 HydrophobicContact CD2-CD1 4.28Å; L392-F458 HydrophobicContact CD2-CE1 4.46Å
393A87.1Confident83.9Confident1 Ų124.8 Ų24.81%0.00815%0.145CC..THydrogen-bonded Turntrans-58.6-25.5-173.400000115.5V73 G389 A398 Y413V73-A393 HydrophobicContact CG2-CB 4.01Å; G389-A393 PolarHBondContact O-N 3.24Å; A393-A398 WeakPolarHBondContact O-CB 3.37Å; A393-Y413 HydrophobicContact CB-CD1 4.49Å; A393-Y413 HydrophobicContact CB-CD2 3.27Å; A393-Y413 HydrophobicContact CB-CE2 3.55Å; A393-Y413 HydrophobicContact CB-CG 3.81Å
394A83.6Confident84.8Confident0 Ų030.6 Ų30.60%017%0.168CC..THydrogen-bonded Turntrans-106.429.4-178.900000113.1L392 V449 Q450 D451 K452L392-A394 PolarHBondContact O-N 2.86Å; L392-A394 VanDerWaalsContact O-N 3.1Å; A394-V449 HydrophobicContact CB-CB 3.84Å; A394-V449 HydrophobicContact CB-CG1 3.63Å; A394-Q450 WeakPolarHBondContact CB-O 3.07Å; A394-D451 WeakPolarHBondContact O-CA 3.46Å; A394-D451 VanDerWaalsContact O-OD1 3.13Å; A394-K452 HydrophobicContact CB-CG 4.47Å; A394-K452 PolarHBondContact O-N 2.89Å
395T91.6Very high86.1Confident0 Ų033 Ų330%019%0.185CC..BIsolated β-bridgetrans-95.1162.2176.859.10000110.4M78 L392 E397 A398 K411 K452 G453 I455M78-T395 WeakPolarHBondContact CE-OG1 3.47Å; L392-T395 WeakPolarHBondContact O-CB 3.28Å; L392-T395 VanDerWaalsContact O-CG2 3.29Å; L392-T395 WeakPolarHBondContact O-CG2 3.32Å; L392-T395 PolarHBondContact O-N 3.09Å; L392-T395 VanDerWaalsContact O-N 3.15Å; L392-T395 PolarHBondContact O-OG1 3.31Å; T395-E397 PolarHBondContact O-N 3.17Å; T395-A398 WeakPolarHBondContact O-CB 3.3Å; T395-A398 PolarHBondContact O-N 3.16Å; T395-K411 PolarHBondContact O-NZ 3.37Å; T395-K452 HydrophobicContact CG2-CB 4.45Å; T395-G453 CarbonylContact C-O 3.49Å; T395-G453 WeakPolarHBondContact CA-O 3.19Å; T395-G453 WeakPolarHBondContact CB-O 3.45Å; T395-I455 HydrophobicContact CG2-CG2 3.57Å
396S91.9Very high87.3Confident59 Ų5940.4 Ų40.441%0.41322%0.224SC..THydrogen-bonded Turntrans-61-34.3-179.5-59.10000112.7Y402 K411 G453S396-Y402 VanDerWaalsContact CA-OH 3.27Å; S396-Y402 WeakPolarHBondContact CA-OH 3.39Å; S396-Y402 PolarHBondContact N-OH 3.12Å; S396-Y402 PolarHBondContact OG-OH 3.22Å; S396-K411 PolarHBondContact O-NZ 3.29Å; S396-G453 PolarHBondContact N-O 2.83Å
397E93.7Very high87.8Confident31 Ų3143.8 Ų43.815%0.14526%0.259CS..THydrogen-bonded Turntrans-80.6-17.1-178.7-60.477.6-173.600113.7M78 A81 T395 S454 I455 H456M78-E397 HydrophobicContact CE-CB 4.4Å; A81-E397 HydrophobicContact CB-CG 4.13Å; T395-E397 PolarHBondContact O-N 3.17Å; E397-S454 VanDerWaalsContact OE1-CB 3.31Å; E397-S454 WeakPolarHBondContact OE1-CB 2.99Å; E397-S454 PolarHBondContact OE1-OG 3.39Å; E397-S454 WeakPolarHBondContact OE2-CA 3.46Å; E397-I455 HydrophobicContact CG-CG1 4.17Å; E397-I455 PolarHBondContact OE2-N 3.03Å; E397-H456 IonicContact OE1-CD2 2.78Å
398A92.8Very high87.9Confident4 Ų447.4 Ų47.43%0.03328%0.278CS..SBendtrans-66.5140.4174.400000110.7M78 A393 T395 K411M78-A398 HydrophobicContact CE-CB 4.02Å; A393-A398 WeakPolarHBondContact O-CB 3.37Å; T395-A398 WeakPolarHBondContact O-CB 3.3Å; T395-A398 PolarHBondContact O-N 3.16Å; A398-K411 PolarHBondContact O-NZ 3.01Å
399P89.8Confident87.9Confident17 Ų1752.3 Ų52.311%0.1130%0.296CS..SBendtrans-64.3152.5-179.228.7-36.2000112.2D71 V73 E75D71-P399 WeakPolarHBondContact O-CG 3.24Å; V73-P399 WeakPolarHBondContact O-CD 3.2Å; E75-P399 HydrophobicContact CB-CB 4.5Å; E75-P399 HydrophobicContact CG-CB 3.96Å; E75-P399 HydrophobicContact CG-CG 4.13Å
400G85.4Confident88Confident53 Ų5353.1 Ų53.155%0.54630%0.297SS..SBendtrans99.9157.1-179.400000114.2K411G400-K411 VanDerWaalsContact O-CE 3.28Å; G400-K411 WeakPolarHBondContact O-CE 3.15Å
401E82.1Confident88.1Confident168 Ų16852.2 Ų52.279%0.78529%0.291SS*.  trans-87.6150.8-176.1-67-58.1142.500112.7
402Y86.9Confident88.2Confident46 Ų4659 Ų5918%0.1832%0.319CS..EExtended strand (participates in β ladder)trans-76.1144.5172-71.8-80.5000111S396 R409 L410 K411 D451S396-Y402 VanDerWaalsContact CA-OH 3.27Å; S396-Y402 WeakPolarHBondContact CA-OH 3.39Å; S396-Y402 PolarHBondContact N-OH 3.12Å; S396-Y402 PolarHBondContact OG-OH 3.22Å; Y402-R409 HydrophobicContact CD1-CG 3.69Å; Y402-R409 VanDerWaalsContact CD1-NE 3.3Å; Y402-R409 HydrophobicContact CE1-CG 4.36Å; Y402-R409 VanDerWaalsContact CE2-NH2 3.34Å; Y402-R409 HydrophobicContact CG-CG 4.19Å; Y402-L410 WeakPolarHBondContact CA-O 3.27Å; Y402-K411 HydrophobicContact CD1-CD 4.2Å; Y402-K411 HydrophobicContact CD1-CG 3.57Å; Y402-K411 HydrophobicContact CE1-CD 3.87Å; Y402-K411 HydrophobicContact CE1-CG 3.67Å; Y402-K411 VanDerWaalsContact CE2-CE 3.41Å; Y402-K411 HydrophobicContact CG-CG 4.16Å; Y402-D451 HydrophobicContact CD1-CB 4.39Å; Y402-D451 HydrophobicContact CE1-CB 3.69Å; Y402-D451 VanDerWaalsContact CE1-OD1 3.32Å; Y402-D451 WeakPolarHBondContact CE1-OD1 3.48Å; Y402-D451 PolarHBondContact OH-OD1 3.11Å
403F88.8Confident87.9Confident69 Ų6959.5 Ų59.530%0.30332%0.322SS..EExtended strand (participates in β ladder)trans-135.4162.5168.468.8-83000110.2L410 K412 A448F403-L410 HydrophobicContact CE1-CB 4.07Å; F403-L410 HydrophobicContact CE2-CB 4.09Å; F403-L410 HydrophobicContact CE2-CD1 4.07Å; F403-L410 HydrophobicContact CZ-CB 3.84Å; F403-L410 HydrophobicContact CZ-CD1 4.27Å; F403-L410 PolarHBondContact N-O 3.34Å; F403-L410 PolarHBondContact O-N 2.93Å; F403-K412 HydrophobicContact CD1-CG 4.15Å; F403-K412 HydrophobicContact CE1-CB 4.47Å; F403-K412 HydrophobicContact CE1-CG 3.5Å; F403-K412 VanDerWaalsContact CE1-CG 3.5Å; F403-K412 HydrophobicContact CZ-CG 4.26Å; F403-A448 HydrophobicContact CE1-CB 4.34Å; F403-A448 HydrophobicContact CZ-CB 3.69Å
404F88.9Confident87.8Confident144 Ų14461.4 Ų61.463%0.63233%0.328SS*.EExtended strand (participates in β ladder)trans-108.3136.2179-69.7-92.2000110.2I408 R409F404-I408 WeakPolarHBondContact CA-O 3.36Å; F404-R409 HydrophobicContact CD1-CB 4.12Å; F404-R409 HydrophobicContact CE1-CB 3.7Å; F404-R409 HydrophobicContact CE1-CG 4.05Å; F404-R409 HydrophobicContact CZ-CB 4.19Å; F404-R409 HydrophobicContact CZ-CG 4.03Å
405S86Confident87.6Confident51 Ų5161.6 Ų61.636%0.35733%0.33SS..EExtended strand (participates in β ladder)trans-133.5127.5166.8-166.60000107.5G407 I408S405-G407 PolarHBondContact O-N 3.05Å; S405-G407 VanDerWaalsContact O-N 3.14Å; S405-I408 PolarHBondContact N-O 3.48Å; S405-I408 WeakPolarHBondContact O-CB 3.45Å; S405-I408 PolarHBondContact O-N 3Å
406D87.9Confident87Confident154 Ų15461.9 Ų61.982%0.82433%0.332SS*.THydrogen-bonded Turntrans52.936.2179.1-51.1-52.2000113.9I408D406-I408 PolarHBondContact O-N 3Å
407G85.3Confident86.2Confident72 Ų7259 Ų5974%0.74231%0.312SS*.THydrogen-bonded Turntrans75.5-1.8-177.400000114.9S405S405-G407 PolarHBondContact O-N 3.05Å; S405-G407 VanDerWaalsContact O-N 3.14Å
408I87Confident85.4Confident78 Ų7857.7 Ų57.740%0.431%0.306SS..EExtended strand (participates in β ladder)trans-94.1131.4177.7-54.2176.1000109.4F404 S405 D406 L410 Q450F404-I408 WeakPolarHBondContact CA-O 3.36Å; S405-I408 PolarHBondContact N-O 3.48Å; S405-I408 WeakPolarHBondContact O-CB 3.45Å; S405-I408 PolarHBondContact O-N 3Å; D406-I408 PolarHBondContact O-N 3Å; I408-L410 HydrophobicContact CB-CD2 4.41Å; I408-L410 HydrophobicContact CG2-CD2 3.67Å; I408-L410 HydrophobicContact CG2-CG 4.32Å; I408-Q450 HydrophobicContact CG2-CG 3.87Å
409R87.2Confident84.7Confident106 Ų10661.3 Ų61.340%0.433%0.325SS..EExtended strand (participates in β ladder)trans-79.6122.3174.4-168-177.9-175.8-173.58.3110.6Y402 F404 D451Y402-R409 HydrophobicContact CD1-CG 3.69Å; Y402-R409 VanDerWaalsContact CD1-NE 3.3Å; Y402-R409 HydrophobicContact CE1-CG 4.36Å; Y402-R409 VanDerWaalsContact CE2-NH2 3.34Å; Y402-R409 HydrophobicContact CG-CG 4.19Å; F404-R409 HydrophobicContact CD1-CB 4.12Å; F404-R409 HydrophobicContact CE1-CB 3.7Å; F404-R409 HydrophobicContact CE1-CG 4.05Å; F404-R409 HydrophobicContact CZ-CB 4.19Å; F404-R409 HydrophobicContact CZ-CG 4.03Å; R409-D451 HydrophobicContact CB-CB 4.4Å; R409-D451 HydrophobicContact CG-CB 4.34Å; R409-D451 IonicContact CZ-OD2 3.6Å; R409-D451 IonicContact NE-OD2 3.51Å; R409-D451 IonicContact NH1-OD2 3.22Å; R409-D451 PolarHBondContact NH1-OD2 2.91Å; R409-D451 PolarHBondContact O-N 3.11Å; R409-D451 VanDerWaalsContact O-N 3.1Å
410L89.4Confident84Confident28 Ų2864.4 Ų64.415%0.14734%0.34CS..EExtended strand (participates in β ladder)trans-128.2157.7-173.8-56.1178.4000111.7Y402 F403 I408 A448 V449 Q450Y402-L410 WeakPolarHBondContact CA-O 3.27Å; F403-L410 HydrophobicContact CE1-CB 4.07Å; F403-L410 HydrophobicContact CE2-CB 4.09Å; F403-L410 HydrophobicContact CE2-CD1 4.07Å; F403-L410 HydrophobicContact CZ-CB 3.84Å; F403-L410 HydrophobicContact CZ-CD1 4.27Å; F403-L410 PolarHBondContact N-O 3.34Å; F403-L410 PolarHBondContact O-N 2.93Å; I408-L410 HydrophobicContact CB-CD2 4.41Å; I408-L410 HydrophobicContact CG2-CD2 3.67Å; I408-L410 HydrophobicContact CG2-CG 4.32Å; L410-A448 HydrophobicContact CB-CB 4.3Å; L410-A448 HydrophobicContact CD1-CB 4.16Å; L410-V449 WeakPolarHBondContact CA-O 3.43Å; L410-Q450 HydrophobicContact CD2-CB 4.02Å; L410-Q450 HydrophobicContact CD2-CG 4.49Å
411K88.9Confident83.4Confident5 Ų561.9 Ų61.92%0.02231%0.314CS..EExtended strand (participates in β ladder)trans-120.3147.9164.9-86.1-170.9169.5-178.70110.8T395 S396 A398 G400 Y402 A448 V449T395-K411 PolarHBondContact O-NZ 3.37Å; S396-K411 PolarHBondContact O-NZ 3.29Å; A398-K411 PolarHBondContact O-NZ 3.01Å; G400-K411 VanDerWaalsContact O-CE 3.28Å; G400-K411 WeakPolarHBondContact O-CE 3.15Å; Y402-K411 HydrophobicContact CD1-CD 4.2Å; Y402-K411 HydrophobicContact CD1-CG 3.57Å; Y402-K411 HydrophobicContact CE1-CD 3.87Å; Y402-K411 HydrophobicContact CE1-CG 3.67Å; Y402-K411 VanDerWaalsContact CE2-CE 3.41Å; Y402-K411 HydrophobicContact CG-CG 4.16Å; K411-A448 CarbonylContact O-C 3.37Å; K411-A448 VanDerWaalsContact O-CA 3.23Å; K411-A448 WeakPolarHBondContact O-CA 3.34Å; K411-V449 PolarHBondContact N-O 3.43Å; K411-V449 PolarHBondContact O-N 3.47Å
412K87Confident83.2Confident152 Ų15253.9 Ų53.966%0.66128%0.276SS*.EExtended strand (participates in β ladder)trans-72.2134.8175.2-66.8-172.3179.5178.30109.4F403F403-K412 HydrophobicContact CD1-CG 4.15Å; F403-K412 HydrophobicContact CE1-CB 4.47Å; F403-K412 HydrophobicContact CE1-CG 3.5Å; F403-K412 VanDerWaalsContact CE1-CG 3.5Å; F403-K412 HydrophobicContact CZ-CG 4.26Å
413Y84.7Confident82.6Confident12 Ų1256.3 Ų56.35%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-134.1124.1177.1-178.1-130.5000109.2M70 T72 V73 I331 G389 S390 A393 G447 V449M70-Y413 HydrophobicContact CE-CD2 4.37Å; M70-Y413 HydrophobicContact CE-CE2 3.5Å; M70-Y413 HydrophobicContact SD-CE2 4.23Å; T72-Y413 WeakPolarHBondContact OG1-CD2 3.34Å; V73-Y413 HydrophobicContact CG2-CD2 4.44Å; V73-Y413 HydrophobicContact CG2-CE2 3.8Å; I331-Y413 HydrophobicContact CD1-CD1 4.24Å; I331-Y413 HydrophobicContact CD1-CE1 3.6Å; I331-Y413 HydrophobicContact CD1-CE2 4Å; I331-Y413 VanDerWaalsContact CD1-CZ 3.45Å; I331-Y413 HydrophobicContact CG1-CE1 4.39Å; I331-Y413 HydrophobicContact CG2-CD1 3.6Å; I331-Y413 HydrophobicContact CG2-CE1 3.46Å; I331-Y413 VanDerWaalsContact CG2-CE1 3.46Å; G389-Y413 WeakPolarHBondContact CA-OH 3.23Å; S390-Y413 PolarHBondContact N-OH 3.42Å; S390-Y413 VanDerWaalsContact N-OH 3.08Å; A393-Y413 HydrophobicContact CB-CD1 4.49Å; A393-Y413 HydrophobicContact CB-CD2 3.27Å; A393-Y413 HydrophobicContact CB-CE2 3.55Å; A393-Y413 HydrophobicContact CB-CG 3.81Å; Y413-G447 PolarHBondContact N-O 2.97Å; Y413-G447 CarbonylContact O-C 3.53Å; Y413-G447 PolarHBondContact O-N 3.08Å; Y413-G447 VanDerWaalsContact O-O 3.04Å; Y413-V449 HydrophobicContact CD1-CG2 3.77Å; Y413-V449 HydrophobicContact CG-CG2 4.02Å
414R84.4Confident81.7Confident40 Ų4059.7 Ų59.715%0.15131%0.307CS..EExtended strand (participates in β ladder)trans-135.8145.5-175.267.4-177.9178.31733.2112.3M70 D71 T72 D420 S446M70-R414 WeakPolarHBondContact CE-O 3.23Å; D71-R414 IonicContact OD1-NE 3.1Å; D71-R414 PolarHBondContact OD1-NE 2.96Å; D71-R414 IonicContact OD2-CZ 2.93Å; D71-R414 IonicContact OD2-NE 3.65Å; D71-R414 PolarHBondContact OD2-NE 3.44Å; D71-R414 IonicContact OD2-NH2 2.65Å; D71-R414 PolarHBondContact OD2-NH2 3.19Å; T72-R414 HydrophobicContact CG2-CG 3.89Å; R414-D420 PolarHBondContact NH1-O 2.91Å; R414-S446 WeakPolarHBondContact CB-OG 3.48Å
415G79Confident81.1Confident4 Ų454.9 Ų54.94%0.04129%0.288CS..  trans-76.1144.6175.200000110.9I331 G417 S418 A421 V445I331-G415 VanDerWaalsContact CD1-N 3.29Å; G415-G417 PolarHBondContact O-N 3.41Å; G415-G417 VanDerWaalsContact O-N 3.11Å; G415-S418 WeakPolarHBondContact O-CB 3.46Å; G415-S418 PolarHBondContact O-N 3.16Å; G415-S418 PolarHBondContact O-OG 2.87Å; G415-S418 VanDerWaalsContact O-OG 3.11Å; G415-A421 VanDerWaalsContact O-CB 3.3Å; G415-A421 WeakPolarHBondContact O-CB 3.38Å; G415-V445 PolarHBondContact N-O 3.02Å
416M80.1Confident80.4Confident6 Ų657.6 Ų57.63%0.0330%0.298CS..THydrogen-bonded Turntrans-59.8-23.8174.6-59.1-47.1-66.900112M70 N94 S428 Y432M70-M416 HydrophobicContact CB-SD 4.13Å; M70-M416 HydrophobicContact CG-CG 4.1Å; M70-M416 HydrophobicContact CG-SD 4.18Å; N94-M416 HydrophobicContact CB-CE 3.8Å; M416-S428 WeakPolarHBondContact CE-OG 3.14Å; M416-S428 WeakPolarHBondContact O-CB 3.43Å; M416-Y432 HydrophobicContact CB-CE2 4.17Å; M416-Y432 WeakPolarHBondContact O-CE2 3.2Å
417G74.1Confident79.5Confident0 Ų050.9 Ų50.90%027%0.265CS..THydrogen-bonded Turntrans-91.17.1175.600000114.9G415 M422 Y432 Q443 G444G415-G417 PolarHBondContact O-N 3.41Å; G415-G417 VanDerWaalsContact O-N 3.11Å; G417-M422 WeakPolarHBondContact O-CE 3.16Å; G417-Y432 WeakPolarHBondContact CA-OH 3.47Å; G417-Y432 PolarHBondContact N-OH 2.9Å; G417-Y432 VanDerWaalsContact N-OH 3.13Å; G417-Q443 PolarHBondContact O-N 3.22Å; G417-G444 VanDerWaalsContact C-N 3.34Å; G417-G444 PolarHBondContact O-N 3.11Å
418S77.8Confident78.8Confident2 Ų247.5 Ų47.51%0.01423%0.23CC..SBendtrans-77.7152.7173.382.10000110.9G415 D420 A421 M422 G444 S446G415-S418 WeakPolarHBondContact O-CB 3.46Å; G415-S418 PolarHBondContact O-N 3.16Å; G415-S418 PolarHBondContact O-OG 2.87Å; G415-S418 VanDerWaalsContact O-OG 3.11Å; S418-D420 PolarHBondContact O-N 2.76Å; S418-A421 PolarHBondContact O-N 3.03Å; S418-A421 PolarHBondContact OG-N 2.89Å; S418-M422 WeakPolarHBondContact O-CG 3.27Å; S418-M422 PolarHBondContact O-N 3.4Å; S418-G444 VanDerWaalsContact CA-O 3.27Å; S418-G444 WeakPolarHBondContact CA-O 3.27Å; S418-G444 WeakPolarHBondContact CB-O 3.49Å; S418-S446 PolarHBondContact OG-OG 2.71Å; S418-S446 VanDerWaalsContact OG-OG 3.08Å
419L77.8Confident78.2Confident81 Ų8144.8 Ų44.842%0.42422%0.216SC..Hα-helixtrans-55.6-40.4176.5-65.8172.1000111A421 M422 D423 K440 A442L419-A421 VanDerWaalsContact C-N 3.26Å; L419-A421 PolarHBondContact O-N 2.76Å; L419-M422 HydrophobicContact CD2-CE 3.98Å; L419-M422 PolarHBondContact O-N 2.69Å; L419-D423 VanDerWaalsContact O-CB 3.28Å; L419-D423 WeakPolarHBondContact O-CB 3.27Å; L419-D423 PolarHBondContact O-N 3.24Å; L419-K440 HydrophobicContact CD2-CB 4.19Å; L419-A442 HydrophobicContact CD2-CB 4.27Å; L419-A442 HydrophobicContact CG-CB 4.01Å
420D76.1Confident77.7Confident81 Ų8140.6 Ų40.643%0.43320%0.201SC..Hα-helixtrans-61-31.8177.9-66.2-33.7000114.2R414 S418 K424 S446R414-D420 PolarHBondContact NH1-O 2.91Å; S418-D420 PolarHBondContact O-N 2.76Å; D420-K424 WeakPolarHBondContact O-CD 3.34Å; D420-K424 VanDerWaalsContact O-CG 3.28Å; D420-K424 WeakPolarHBondContact O-CG 3.36Å; D420-S446 WeakPolarHBondContact OD2-CB 3.19Å; D420-S446 PolarHBondContact OD2-OG 3.17Å
421A72.1Confident77.3Confident0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-81.8-44.7177.500000110.6G415 S418 L419 N425 S428G415-A421 VanDerWaalsContact O-CB 3.3Å; G415-A421 WeakPolarHBondContact O-CB 3.38Å; S418-A421 PolarHBondContact O-N 3.03Å; S418-A421 PolarHBondContact OG-N 2.89Å; L419-A421 VanDerWaalsContact C-N 3.26Å; L419-A421 PolarHBondContact O-N 2.76Å; A421-N425 PolarHBondContact O-N 3.01Å; A421-S428 PolarHBondContact O-OG 3.32Å
422M77Confident76.8Confident0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-67.3-43-179.9-67.8-169.4-6200112.7G417 S418 L419 K424 N425 Q429 Y432 K440G417-M422 WeakPolarHBondContact O-CE 3.16Å; S418-M422 WeakPolarHBondContact O-CG 3.27Å; S418-M422 PolarHBondContact O-N 3.4Å; L419-M422 HydrophobicContact CD2-CE 3.98Å; L419-M422 PolarHBondContact O-N 2.69Å; M422-K424 VanDerWaalsContact C-N 3.31Å; M422-K424 PolarHBondContact O-N 3.27Å; M422-N425 PolarHBondContact O-N 2.78Å; M422-Q429 HydrophobicContact CB-CG 4.07Å; M422-Q429 VanDerWaalsContact O-CG 3.25Å; M422-Q429 WeakPolarHBondContact O-CG 3.37Å; M422-Q429 PolarHBondContact O-NE2 3.5Å; M422-Y432 HydrophobicContact SD-CD2 4.36Å; M422-K440 HydrophobicContact CB-CD 4.49Å; M422-K440 HydrophobicContact CE-CB 4.36Å
423D75.5Confident76.1Confident97 Ų9738 Ų3852%0.51919%0.188SC..THydrogen-bonded Turntrans-69.7-30.5-178.6-71.4-23.3000112.8L419 K440L419-D423 VanDerWaalsContact O-CB 3.28Å; L419-D423 WeakPolarHBondContact O-CB 3.27Å; L419-D423 PolarHBondContact O-N 3.24Å; D423-K440 IonicContact OD1-NZ 3.83Å; D423-K440 PolarHBondContact OD1-NZ 2.95Å
424K70.4Confident75.2Confident141 Ų14137.8 Ų37.861%0.61319%0.188SC*.THydrogen-bonded Turntrans-82.2-25.3-179.6-68.9-173.3-171177.20113.3D420 M422D420-K424 WeakPolarHBondContact O-CD 3.34Å; D420-K424 VanDerWaalsContact O-CG 3.28Å; D420-K424 WeakPolarHBondContact O-CG 3.36Å; M422-K424 VanDerWaalsContact C-N 3.31Å; M422-K424 PolarHBondContact O-N 3.27Å
425N74.6Confident74.4Confident43 Ų4339.7 Ų39.723%0.2320%0.198CC..  trans-148.9131.8-166.2-63.3-73.3000113.9N94 A421 M422 G427 S428N94-N425 HydrophobicContact CB-CB 4.47Å; N94-N425 VanDerWaalsContact CG-CG 3.44Å; N94-N425 WeakPolarHBondContact ND2-CB 3.35Å; N94-N425 PolarHBondContact ND2-ND2 2.84Å; N94-N425 PolarHBondContact O-OD1 3.25Å; N94-N425 WeakPolarHBondContact OD1-CB 3.4Å; A421-N425 PolarHBondContact O-N 3.01Å; M422-N425 PolarHBondContact O-N 2.78Å; N425-G427 PolarHBondContact O-N 2.72Å; N425-S428 PolarHBondContact O-N 3.17Å
426L72.9Confident73.6Confident108 Ų10844.5 Ų44.557%0.56523%0.232SC*.Hα-helixtrans-61.1-42.3178.6-155.678000112S428 Q429 N430L426-S428 PolarHBondContact O-N 2.73Å; L426-S428 VanDerWaalsContact O-N 3.13Å; L426-Q429 WeakPolarHBondContact O-CA 3.26Å; L426-Q429 WeakPolarHBondContact O-CB 3.41Å; L426-Q429 PolarHBondContact O-N 3.26Å; L426-N430 PolarHBondContact O-N 3.35Å; L426-N430 PolarHBondContact O-OD1 3.39Å
427G67.8Low72.9Confident12 Ų1247.7 Ų47.712%0.12425%0.249CC..Hα-helixtrans-56.2-36.1-178.800000114H93 N425 R431H93-G427 PolarHBondContact CE1-O 3.42Å; N425-G427 PolarHBondContact O-N 2.72Å; G427-R431 PolarHBondContact O-N 3.42Å
428S71.6Confident72.3Confident1 Ų156 Ų561%0.00729%0.293CS..Hα-helixtrans-67.3-40.7173.4-63.50000112N94 M416 A421 N425 L426 R431 Y432N94-S428 VanDerWaalsContact CG-OG 3.22Å; N94-S428 PolarHBondContact ND2-OG 3.39Å; N94-S428 VanDerWaalsContact ND2-OG 3.16Å; N94-S428 PolarHBondContact OD1-N 3.22Å; N94-S428 PolarHBondContact OD1-OG 2.92Å; M416-S428 WeakPolarHBondContact CE-OG 3.14Å; M416-S428 WeakPolarHBondContact O-CB 3.43Å; A421-S428 PolarHBondContact O-OG 3.32Å; N425-S428 PolarHBondContact O-N 3.17Å; L426-S428 PolarHBondContact O-N 2.73Å; L426-S428 VanDerWaalsContact O-N 3.13Å; S428-R431 PolarHBondContact O-N 2.8Å; S428-Y432 VanDerWaalsContact O-CD2 3.25Å; S428-Y432 WeakPolarHBondContact O-CD2 3.41Å
429Q74.8Confident72.1Confident22 Ų2262.6 Ų62.610%0.10333%0.327CS..Hα-helixtrans-64-44.4177.4-59.6178.41600111.5M422 L426 R431 Y432 F433 S434 E435 K440M422-Q429 HydrophobicContact CB-CG 4.07Å; M422-Q429 VanDerWaalsContact O-CG 3.25Å; M422-Q429 WeakPolarHBondContact O-CG 3.37Å; M422-Q429 PolarHBondContact O-NE2 3.5Å; L426-Q429 WeakPolarHBondContact O-CA 3.26Å; L426-Q429 WeakPolarHBondContact O-CB 3.41Å; L426-Q429 PolarHBondContact O-N 3.26Å; Q429-R431 VanDerWaalsContact C-N 3.26Å; Q429-R431 PolarHBondContact O-N 3.28Å; Q429-Y432 CarbonylContact O-C 3.55Å; Q429-Y432 PolarHBondContact O-N 3.27Å; Q429-F433 PolarHBondContact O-N 3.08Å; Q429-F433 VanDerWaalsContact O-N 3.12Å; Q429-S434 PolarHBondContact O-N 3.14Å; Q429-E435 HydrophobicContact CB-CG 4.19Å; Q429-K440 VanDerWaalsContact NE2-NZ 3.14Å
430N76.4Confident72Confident17 Ų1761.5 Ų61.59%0.09132%0.319CS..Hα-helixtrans-58.2-40179.8-63.324.7000111.8L426 Y432 F433 E435L426-N430 PolarHBondContact O-N 3.35Å; L426-N430 PolarHBondContact O-OD1 3.39Å; N430-Y432 PolarHBondContact O-N 3.39Å; N430-Y432 VanDerWaalsContact O-N 3.16Å; N430-F433 PolarHBondContact O-N 2.98Å; N430-E435 WeakPolarHBondContact CA-OE1 3.36Å; N430-E435 HydrophobicContact CB-CG 4.49Å; N430-E435 VanDerWaalsContact CB-OE1 3.22Å; N430-E435 WeakPolarHBondContact CB-OE1 3.49Å; N430-E435 PolarHBondContact ND2-OE1 3.09Å; N430-E435 WeakPolarHBondContact OD1-CG 3.32Å; N430-E435 PolarHBondContact OD1-OE1 2.71Å
431R81.2Confident72.1Confident26 Ų2660.9 Ų60.910%0.09832%0.317CS..Hα-helixtrans-58.7-28.8178-179.9175.1175.8167.4-1.4113.6D275 S277 G427 S428 Q429D275-R431 IonicContact OD1-CZ 3.81Å; D275-R431 IonicContact OD1-NE 3.84Å; D275-R431 IonicContact OD1-NH1 3.39Å; D275-R431 PolarHBondContact OD1-NH1 3.29Å; D275-R431 IonicContact OD1-NH2 2.76Å; D275-R431 WeakPolarHBondContact OD2-CD 3.45Å; D275-R431 IonicContact OD2-CZ 2.69Å; D275-R431 IonicContact OD2-NE 3.46Å; D275-R431 IonicContact OD2-NH1 3.21Å; D275-R431 PolarHBondContact OD2-NH1 2.98Å; S277-R431 WeakPolarHBondContact CB-O 3.12Å; S277-R431 PolarHBondContact N-O 3.2Å; S277-R431 PolarHBondContact OG-O 3.39Å; G427-R431 PolarHBondContact O-N 3.42Å; S428-R431 PolarHBondContact O-N 2.8Å; Q429-R431 VanDerWaalsContact C-N 3.26Å; Q429-R431 PolarHBondContact O-N 3.28Å
432Y77.3Confident72.6Confident20 Ų2062.1 Ų62.18%0.07833%0.328CS..THydrogen-bonded Turntrans-110.29-177.7-63.8-77.2000113.7M416 G417 M422 S428 Q429 N430 S434 Q443M416-Y432 HydrophobicContact CB-CE2 4.17Å; M416-Y432 WeakPolarHBondContact O-CE2 3.2Å; G417-Y432 WeakPolarHBondContact CA-OH 3.47Å; G417-Y432 PolarHBondContact N-OH 2.9Å; G417-Y432 VanDerWaalsContact N-OH 3.13Å; M422-Y432 HydrophobicContact SD-CD2 4.36Å; S428-Y432 VanDerWaalsContact O-CD2 3.25Å; S428-Y432 WeakPolarHBondContact O-CD2 3.41Å; Q429-Y432 CarbonylContact O-C 3.55Å; Q429-Y432 PolarHBondContact O-N 3.27Å; N430-Y432 PolarHBondContact O-N 3.39Å; N430-Y432 VanDerWaalsContact O-N 3.16Å; Y432-S434 VanDerWaalsContact C-N 3.25Å; Y432-S434 PolarHBondContact O-N 3.03Å; Y432-S434 PolarHBondContact O-OG 3.27Å; Y432-Q443 HydrophobicContact CD1-CB 3.94Å; Y432-Q443 HydrophobicContact CD1-CG 4.13Å; Y432-Q443 VanDerWaalsContact CD1-NE2 3.26Å; Y432-Q443 HydrophobicContact CE1-CB 3.71Å; Y432-Q443 HydrophobicContact CE1-CG 4.35Å
433F72.8Confident72.8Confident85 Ų8562.6 Ų62.637%0.37333%0.33SS..THydrogen-bonded Turntrans58.232.4179.4-51.5-80000114Q429 N430Q429-F433 PolarHBondContact O-N 3.08Å; Q429-F433 VanDerWaalsContact O-N 3.12Å; N430-F433 PolarHBondContact O-N 2.98Å
434S66.4Low73.1Confident7 Ų758.2 Ų58.25%0.04931%0.308CS..  trans-112.524.6-175.6-66.10000114.2Q429 Y432 S436 D437Q429-S434 PolarHBondContact O-N 3.14Å; Y432-S434 VanDerWaalsContact C-N 3.25Å; Y432-S434 PolarHBondContact O-N 3.03Å; Y432-S434 PolarHBondContact O-OG 3.27Å; S434-S436 VanDerWaalsContact C-N 3.34Å; S434-S436 PolarHBondContact O-N 3.34Å; S434-D437 WeakPolarHBondContact CA-OD2 3.32Å; S434-D437 PolarHBondContact OG-OD2 3.13Å
435E65.6Low73.8Confident80 Ų8054.6 Ų54.637%0.37430%0.297SS..THydrogen-bonded Turntrans-64.8-35.5-179-70.2166.7-133.900113.5H254 Q429 N430H254-E435 IonicContact CD2-OE1 3.23Å; H254-E435 IonicContact CE1-OE1 2.71Å; H254-E435 PolarHBondContact CE1-OE1 3.32Å; H254-E435 IonicContact CE1-OE2 2.76Å; H254-E435 IonicContact CG-OE1 3.82Å; H254-E435 IonicContact ND1-OE1 3.55Å; H254-E435 PolarHBondContact ND1-OE1 2.79Å; H254-E435 IonicContact ND1-OE2 3.84Å; H254-E435 IonicContact NE2-OE1 3.83Å; H254-E435 PolarHBondContact NE2-OE1 3.1Å; Q429-E435 HydrophobicContact CB-CG 4.19Å; N430-E435 WeakPolarHBondContact CA-OE1 3.36Å; N430-E435 HydrophobicContact CB-CG 4.49Å; N430-E435 VanDerWaalsContact CB-OE1 3.22Å; N430-E435 WeakPolarHBondContact CB-OE1 3.49Å; N430-E435 PolarHBondContact ND2-OE1 3.09Å; N430-E435 WeakPolarHBondContact OD1-CG 3.32Å; N430-E435 PolarHBondContact OD1-OE1 2.71Å
436S62.8Low74.3Confident106 Ų10655 Ų5574%0.74130%0.303SS*.THydrogen-bonded Turntrans-101.42.2-175.454.60000113.9S434S434-S436 VanDerWaalsContact C-N 3.34Å; S434-S436 PolarHBondContact O-N 3.34Å
437D66.1Low75Confident72 Ų7251.9 Ų51.939%0.38530%0.298SS..  trans-84125.6-172-66.7-18.4000111.2S434 I439S434-D437 WeakPolarHBondContact CA-OD2 3.32Å; S434-D437 PolarHBondContact OG-OD2 3.13Å; D437-I439 PolarHBondContact O-N 3.26Å
438N62.1Low75.8Confident175 Ų17553.7 Ų53.794%0.93631%0.311SS*.SBendtrans-65.3-26.7173.5-73.8-27.2000112.6
439I71.7Confident76.5Confident141 Ų14155.1 Ų55.172%0.72332%0.32SS*.SBendtrans-125.7115.3177.3-59.2175.8000107.7D437D437-I439 PolarHBondContact O-N 3.26Å
440K75.7Confident77.2Confident58 Ų5860 Ų6025%0.25234%0.343SS..  trans-85.4128.9-179.6-60.6178.9-170.5171.80110.6L419 M422 D423 Q429L419-K440 HydrophobicContact CD2-CB 4.19Å; M422-K440 HydrophobicContact CB-CD 4.49Å; M422-K440 HydrophobicContact CE-CB 4.36Å; D423-K440 IonicContact OD1-NZ 3.83Å; D423-K440 PolarHBondContact OD1-NZ 2.95Å; Q429-K440 VanDerWaalsContact NE2-NZ 3.14Å
441V78.8Confident77.7Confident67 Ų6761.1 Ų61.141%0.40635%0.349SS..  trans-93.1112.6175.2-179.60000109.2V337 Q443V337-V441 HydrophobicContact CG1-CG1 3.38Å; V441-Q443 PolarHBondContact O-N 2.95Å
442A82.3Confident78Confident27 Ų2762.8 Ų62.822%0.22336%0.357CS..  trans-67.1128.2178.800000111.3L419L419-A442 HydrophobicContact CD2-CB 4.27Å; L419-A442 HydrophobicContact CG-CB 4.01Å
443Q82.6Confident78.6Confident10 Ų1063 Ų635%0.04737%0.365CS..  trans-112.23.7176.6-71.9-170.253.500112.6C332 I333 T334 L338 G417 Y432 V441C332-Q443 PolarHBondContact SG-O 3.48Å; I333-Q443 VanDerWaalsContact CG1-C 3.44Å; I333-Q443 PolarHBondContact N-O 3.15Å; T334-Q443 PolarHBondContact N-O 2.73Å; T334-Q443 PolarHBondContact OG1-OE1 3.4Å; L338-Q443 HydrophobicContact CD1-CG 4.17Å; L338-Q443 VanDerWaalsContact CD1-OE1 3.31Å; L338-Q443 HydrophobicContact CG-CG 4.28Å; G417-Q443 PolarHBondContact O-N 3.22Å; Y432-Q443 HydrophobicContact CD1-CB 3.94Å; Y432-Q443 HydrophobicContact CD1-CG 4.13Å; Y432-Q443 VanDerWaalsContact CD1-NE2 3.26Å; Y432-Q443 HydrophobicContact CE1-CB 3.71Å; Y432-Q443 HydrophobicContact CE1-CG 4.35Å; V441-Q443 PolarHBondContact O-N 2.95Å
444G81.9Confident79.5Confident5 Ų560.4 Ų60.45%0.05236%0.358CS..BIsolated β-bridgetrans-150.1170.4174.800000112.9I331 G417 S418I331-G444 CarbonylContact O-C 3.45Å; I331-G444 WeakPolarHBondContact O-CA 3.42Å; G417-G444 VanDerWaalsContact C-N 3.34Å; G417-G444 PolarHBondContact O-N 3.11Å; S418-G444 VanDerWaalsContact CA-O 3.27Å; S418-G444 WeakPolarHBondContact CA-O 3.27Å; S418-G444 WeakPolarHBondContact CB-O 3.49Å
445V84.8Confident80.7Confident64 Ų6460.1 Ų60.139%0.38836%0.355SS..  trans-116.3161.4179.2-620000111.4I331 I333 G415I331-V445 HydrophobicContact CB-CG2 3.98Å; I331-V445 HydrophobicContact CG2-CG2 4.38Å; I331-V445 PolarHBondContact O-N 3.01Å; I333-V445 HydrophobicContact CD1-CG1 4.23Å; I333-V445 HydrophobicContact CG2-CG1 4.02Å; G415-V445 PolarHBondContact N-O 3.02Å
446S84.9Confident81.9Confident51 Ų5159.8 Ų59.836%0.35735%0.354SS..EExtended strand (participates in β ladder)trans-108.8137.5169-63.60000109.1R414 S418 D420R414-S446 WeakPolarHBondContact CB-OG 3.48Å; S418-S446 PolarHBondContact OG-OG 2.71Å; S418-S446 VanDerWaalsContact OG-OG 3.08Å; D420-S446 WeakPolarHBondContact OD2-CB 3.19Å; D420-S446 PolarHBondContact OD2-OG 3.17Å
447G86.8Confident83.3Confident43 Ų4362.1 Ų62.144%0.44335%0.35SS..EExtended strand (participates in β ladder)trans-154-161179.600000112.2Y413Y413-G447 PolarHBondContact N-O 2.97Å; Y413-G447 CarbonylContact O-C 3.53Å; Y413-G447 PolarHBondContact O-N 3.08Å; Y413-G447 VanDerWaalsContact O-O 3.04Å
448A86.2Confident84.5Confident50 Ų5058.9 Ų58.941%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-135.3150.2178.300000110.8F403 L410 K411F403-A448 HydrophobicContact CE1-CB 4.34Å; F403-A448 HydrophobicContact CZ-CB 3.69Å; L410-A448 HydrophobicContact CB-CB 4.3Å; L410-A448 HydrophobicContact CD1-CB 4.16Å; K411-A448 CarbonylContact O-C 3.37Å; K411-A448 VanDerWaalsContact O-CA 3.23Å; K411-A448 WeakPolarHBondContact O-CA 3.34Å
449V86.1Confident85.9Confident31 Ų3150.7 Ų50.719%0.18829%0.289CS..EExtended strand (participates in β ladder)trans-129.3139.7179.5-175.70000108.6A394 L410 K411 Y413A394-V449 HydrophobicContact CB-CB 3.84Å; A394-V449 HydrophobicContact CB-CG1 3.63Å; L410-V449 WeakPolarHBondContact CA-O 3.43Å; K411-V449 PolarHBondContact N-O 3.43Å; K411-V449 PolarHBondContact O-N 3.47Å; Y413-V449 HydrophobicContact CD1-CG2 3.77Å; Y413-V449 HydrophobicContact CG-CG2 4.02Å
450Q88.2Confident86.9Confident124 Ų12446.9 Ų46.958%0.57927%0.274SS*.EExtended strand (participates in β ladder)trans-66.4139179.2-174.1178.322.200111.9A394 I408 L410 K452A394-Q450 WeakPolarHBondContact CB-O 3.07Å; I408-Q450 HydrophobicContact CG2-CG 3.87Å; L410-Q450 HydrophobicContact CD2-CB 4.02Å; L410-Q450 HydrophobicContact CD2-CG 4.49Å; Q450-K452 PolarHBondContact O-N 3.1Å
451D87.7Confident87.7Confident41 Ų4147.3 Ų47.322%0.21927%0.274CS..  trans-53.3132.1177.3-172.619.4000111.7A394 Y402 R409 G453A394-D451 WeakPolarHBondContact O-CA 3.46Å; A394-D451 VanDerWaalsContact O-OD1 3.13Å; Y402-D451 HydrophobicContact CD1-CB 4.39Å; Y402-D451 HydrophobicContact CE1-CB 3.69Å; Y402-D451 VanDerWaalsContact CE1-OD1 3.32Å; Y402-D451 WeakPolarHBondContact CE1-OD1 3.48Å; Y402-D451 PolarHBondContact OH-OD1 3.11Å; R409-D451 HydrophobicContact CB-CB 4.4Å; R409-D451 HydrophobicContact CG-CB 4.34Å; R409-D451 IonicContact CZ-OD2 3.6Å; R409-D451 IonicContact NE-OD2 3.51Å; R409-D451 IonicContact NH1-OD2 3.22Å; R409-D451 PolarHBondContact NH1-OD2 2.91Å; R409-D451 PolarHBondContact O-N 3.11Å; R409-D451 VanDerWaalsContact O-N 3.1Å; D451-G453 PolarHBondContact OD1-N 2.97Å
452K86.5Confident88.4Confident62 Ų6244.2 Ų44.227%0.2726%0.256SS..  trans-110.92.2179.1-64177.8-1781730112.5S390 L391 A394 T395 Q450 F458S390-K452 PolarHBondContact O-NZ 3.29Å; L391-K452 WeakPolarHBondContact O-CD 3.41Å; L391-K452 PolarHBondContact O-NZ 2.81Å; A394-K452 HydrophobicContact CB-CG 4.47Å; A394-K452 PolarHBondContact O-N 2.89Å; T395-K452 HydrophobicContact CG2-CB 4.45Å; Q450-K452 PolarHBondContact O-N 3.1Å; K452-F458 HydrophobicContact CD-CE1 4.5Å; K452-F458 HydrophobicContact CD-CZ 4.48Å
453G89.8Confident89Confident24 Ų2444.2 Ų44.225%0.24725%0.252CS..BIsolated β-bridgetrans76-158.1-174.700000112.9T395 S396 D451T395-G453 CarbonylContact C-O 3.49Å; T395-G453 WeakPolarHBondContact CA-O 3.19Å; T395-G453 WeakPolarHBondContact CB-O 3.45Å; S396-G453 PolarHBondContact N-O 2.83Å; D451-G453 PolarHBondContact OD1-N 2.97Å
454S92.8Very high89.6Confident31 Ų3145.6 Ų45.622%0.21726%0.264CS..  trans-80.5142.9-175.5169.70000112.5E397 H456 K457 F458E397-S454 VanDerWaalsContact OE1-CB 3.31Å; E397-S454 WeakPolarHBondContact OE1-CB 2.99Å; E397-S454 PolarHBondContact OE1-OG 3.39Å; E397-S454 WeakPolarHBondContact OE2-CA 3.46Å; S454-H456 PolarHBondContact O-N 3.27Å; S454-H456 PolarHBondContact OG-CD2 3.34Å; S454-H456 VanDerWaalsContact OG-CD2 3.31Å; S454-H456 PolarHBondContact OG-N 3.29Å; S454-K457 PolarHBondContact O-N 2.94Å; S454-K457 VanDerWaalsContact O-N 3.1Å; S454-F458 PolarHBondContact O-N 2.96Å
455I92.1Very high90.2Very high0 Ų046.2 Ų46.20%027%0.271CS..Hα-helixtrans-62-23.2174.671.5170.5000113.3M78 A81 M82 L392 T395 E397 K457 F458 V459M78-I455 HydrophobicContact CE-CG2 4.01Å; M78-I455 HydrophobicContact SD-CD1 3.97Å; M78-I455 HydrophobicContact SD-CG2 4.21Å; A81-I455 VanDerWaalsContact C-CD1 3.5Å; A81-I455 HydrophobicContact CB-CD1 3.13Å; A81-I455 HydrophobicContact CB-CG1 3.64Å; M82-I455 HydrophobicContact CG-CD1 4.19Å; M82-I455 HydrophobicContact SD-CD1 4.16Å; L392-I455 HydrophobicContact CD2-CG2 4.46Å; T395-I455 HydrophobicContact CG2-CG2 3.57Å; E397-I455 HydrophobicContact CG-CG1 4.17Å; E397-I455 PolarHBondContact OE2-N 3.03Å; I455-K457 PolarHBondContact O-N 3.36Å; I455-K457 VanDerWaalsContact O-N 3.16Å; I455-F458 PolarHBondContact O-N 2.87Å; I455-V459 HydrophobicContact CB-CG2 4.1Å; I455-V459 WeakPolarHBondContact O-CB 3.23Å; I455-V459 PolarHBondContact O-N 3.38Å
456H90.8Very high90.7Very high74 Ų7443.2 Ų43.234%0.34325%0.253SS..Hα-helixtrans-64.3-17.9176.8-64.1-58.8000113.3F234 E397 S454 P460F234-H456 AromaticContact CE1-CE1 3.96Å; F234-H456 AromaticContact CE1-ND1 3.6Å; F234-H456 AromaticContact CZ-CE1 3.81Å; F234-H456 AromaticContact CZ-ND1 3.8Å; E397-H456 IonicContact OE1-CD2 2.78Å; S454-H456 PolarHBondContact O-N 3.27Å; S454-H456 PolarHBondContact OG-CD2 3.34Å; S454-H456 VanDerWaalsContact OG-CD2 3.31Å; S454-H456 PolarHBondContact OG-N 3.29Å; H456-P460 WeakPolarHBondContact O-CD 3.45Å; H456-P460 VanDerWaalsContact O-CG 3.31Å; H456-P460 WeakPolarHBondContact O-CG 3.43Å
457K91.4Very high91.2Very high154 Ų15442.4 Ų42.467%0.6724%0.244SC*.Hα-helixtrans-101.2-39.1170-63.7-176.5179.7-177.50111.7S454 I455 P460 Y461 F516S454-K457 PolarHBondContact O-N 2.94Å; S454-K457 VanDerWaalsContact O-N 3.1Å; I455-K457 PolarHBondContact O-N 3.36Å; I455-K457 VanDerWaalsContact O-N 3.16Å; K457-P460 WeakPolarHBondContact O-CD 3.36Å; K457-Y461 PolarHBondContact O-N 3.04Å; K457-F516 HydrophobicContact CB-CE2 4.37Å
458F91.5Very high91.7Very high4 Ų445.1 Ų45.12%0.01824%0.244CC..Hα-helixtrans-72.6-41.4-173.5-171.1-128.4000113.8L391 L392 K452 S454 I455 Y461 L462 F516L391-F458 HydrophobicContact CB-CE1 4.38Å; L391-F458 HydrophobicContact CD2-CZ 4.17Å; L391-F458 WeakPolarHBondContact O-CE1 3.45Å; L392-F458 HydrophobicContact CD2-CD1 4.28Å; L392-F458 HydrophobicContact CD2-CE1 4.46Å; K452-F458 HydrophobicContact CD-CE1 4.5Å; K452-F458 HydrophobicContact CD-CZ 4.48Å; S454-F458 PolarHBondContact O-N 2.96Å; I455-F458 PolarHBondContact O-N 2.87Å; F458-Y461 HydrophobicContact CD2-CD1 4.05Å; F458-Y461 AromaticContact CE2-CD1 3.92Å; F458-Y461 HydrophobicContact CE2-CD1 3.92Å; F458-Y461 HydrophobicContact CE2-CE1 4.25Å; F458-Y461 WeakPolarHBondContact O-CB 3.42Å; F458-Y461 PolarHBondContact O-N 3.39Å; F458-L462 HydrophobicContact CD1-CD1 4.23Å; F458-L462 HydrophobicContact CE1-CD1 3.93Å; F458-L462 HydrophobicContact CE1-CD2 4.44Å; F458-L462 HydrophobicContact CE1-CG 4.34Å; F458-L462 HydrophobicContact CE2-CD2 4.25Å; F458-L462 HydrophobicContact CZ-CD1 4.32Å; F458-L462 HydrophobicContact CZ-CD2 3.99Å; F458-L462 HydrophobicContact CZ-CG 4.3Å; F458-L462 WeakPolarHBondContact O-CG 3.01Å; F458-L462 PolarHBondContact O-N 3.18Å; F458-F516 HydrophobicContact CB-CZ 4.39Å; F458-F516 HydrophobicContact CD2-CD1 4.12Å; F458-F516 AromaticContact CD2-CE1 3.34Å; F458-F516 HydrophobicContact CD2-CE1 3.34Å; F458-F516 AromaticContact CD2-CZ 3.83Å; F458-F516 HydrophobicContact CD2-CZ 3.83Å; F458-F516 AromaticContact CE2-CE1 3.83Å; F458-F516 HydrophobicContact CE2-CE1 3.83Å; F458-F516 HydrophobicContact CG-CE1 4.4Å
459V91.9Very high92.2Very high3 Ų344 Ų442%0.01823%0.234CC..Hα-helixtrans-65.9-43.1179.4174.30000112F65 M82 T85 I455 Y461 L462 L463F65-V459 HydrophobicContact CD2-CG1 3.82Å; F65-V459 HydrophobicContact CE2-CG1 4.24Å; M82-V459 HydrophobicContact SD-CG2 4.15Å; T85-V459 HydrophobicContact CG2-CB 4.42Å; T85-V459 HydrophobicContact CG2-CG1 4.43Å; I455-V459 HydrophobicContact CB-CG2 4.1Å; I455-V459 WeakPolarHBondContact O-CB 3.23Å; I455-V459 PolarHBondContact O-N 3.38Å; V459-Y461 VanDerWaalsContact C-N 3.26Å; V459-Y461 PolarHBondContact O-N 3.16Å; V459-L462 PolarHBondContact O-N 3.34Å; V459-L462 VanDerWaalsContact O-N 3.11Å; V459-L463 WeakPolarHBondContact O-CB 3.44Å; V459-L463 PolarHBondContact O-N 3.26Å
460P92.1Very high92.6Very high62 Ų6242.6 Ų42.640%0.40323%0.225SC..Hα-helixtrans-56-37.5170.7-30.237.4000114H456 K457 L463 A464H456-P460 WeakPolarHBondContact O-CD 3.45Å; H456-P460 VanDerWaalsContact O-CG 3.31Å; H456-P460 WeakPolarHBondContact O-CG 3.43Å; K457-P460 WeakPolarHBondContact O-CD 3.36Å; P460-L463 WeakPolarHBondContact O-CB 3.31Å; P460-L463 PolarHBondContact O-N 2.83Å; P460-A464 WeakPolarHBondContact O-CB 3.22Å; P460-A464 PolarHBondContact O-N 3.42Å
461Y93.4Very high93.1Very high67 Ų6738.4 Ų38.426%0.26321%0.206SC..Hα-helixtrans-62.7-46.5172.8162.3-99.1000112V371 K457 F458 V459 L463 A464 G465 L515 F516V371-Y461 HydrophobicContact CG2-CE1 3.92Å; K457-Y461 PolarHBondContact O-N 3.04Å; F458-Y461 HydrophobicContact CD2-CD1 4.05Å; F458-Y461 AromaticContact CE2-CD1 3.92Å; F458-Y461 HydrophobicContact CE2-CD1 3.92Å; F458-Y461 HydrophobicContact CE2-CE1 4.25Å; F458-Y461 WeakPolarHBondContact O-CB 3.42Å; F458-Y461 PolarHBondContact O-N 3.39Å; V459-Y461 VanDerWaalsContact C-N 3.26Å; V459-Y461 PolarHBondContact O-N 3.16Å; Y461-L463 VanDerWaalsContact C-N 3.28Å; Y461-L463 PolarHBondContact O-N 3.35Å; Y461-A464 PolarHBondContact O-N 3.22Å; Y461-G465 PolarHBondContact O-N 3.45Å; Y461-L515 HydrophobicContact CE1-CB 4.25Å; Y461-L515 WeakPolarHBondContact CE2-O 3.25Å; Y461-F516 HydrophobicContact CD1-CD1 4.08Å; Y461-F516 HydrophobicContact CD2-CB 4Å; Y461-F516 HydrophobicContact CD2-CD1 4.44Å; Y461-F516 HydrophobicContact CG-CB 4.23Å; Y461-F516 HydrophobicContact CG-CD1 4.02Å; Y461-F516 HydrophobicContact CG-CG 4.38Å
462L93.3Very high93.5Very high2 Ų240.8 Ų40.81%0.0122%0.218CC..Hα-helixtrans-61.3-39175.9-62.8179000111.7F65 V371 I374 M388 F458 V459 T466F65-L462 HydrophobicContact CE1-CB 4.18Å; F65-L462 HydrophobicContact CE2-CB 4.14Å; F65-L462 HydrophobicContact CZ-CB 3.75Å; V371-L462 HydrophobicContact CG2-CD2 3.61Å; I374-L462 HydrophobicContact CD1-CD2 4.23Å; M388-L462 HydrophobicContact CE-CD1 4.16Å; M388-L462 HydrophobicContact SD-CD1 3.94Å; F458-L462 HydrophobicContact CD1-CD1 4.23Å; F458-L462 HydrophobicContact CE1-CD1 3.93Å; F458-L462 HydrophobicContact CE1-CD2 4.44Å; F458-L462 HydrophobicContact CE1-CG 4.34Å; F458-L462 HydrophobicContact CE2-CD2 4.25Å; F458-L462 HydrophobicContact CZ-CD1 4.32Å; F458-L462 HydrophobicContact CZ-CD2 3.99Å; F458-L462 HydrophobicContact CZ-CG 4.3Å; F458-L462 WeakPolarHBondContact O-CG 3.01Å; F458-L462 PolarHBondContact O-N 3.18Å; V459-L462 PolarHBondContact O-N 3.34Å; V459-L462 VanDerWaalsContact O-N 3.11Å; L462-T466 WeakPolarHBondContact O-CB 3.45Å; L462-T466 PolarHBondContact O-N 3.36Å; L462-T466 PolarHBondContact O-OG1 3.18Å
463L93.7Very high94Very high27 Ų2738.6 Ų38.614%0.14121%0.209CC..Hα-helixtrans-61.8-56.3177.9-171.673.8000110.7L51 T63 F65 L236 V459 P460 Y461 G465 T466 Q467L51-L463 HydrophobicContact CB-CD1 4.46Å; L51-L463 HydrophobicContact CD1-CD1 3.43Å; L51-L463 VanDerWaalsContact CD1-CD1 3.43Å; L51-L463 HydrophobicContact CD1-CG 4.15Å; T63-L463 HydrophobicContact CG2-CD1 3.51Å; T63-L463 HydrophobicContact CG2-CD2 4.48Å; F65-L463 HydrophobicContact CE2-CB 4.06Å; F65-L463 HydrophobicContact CE2-CD1 3.97Å; L236-L463 HydrophobicContact CD1-CD2 3.94Å; V459-L463 WeakPolarHBondContact O-CB 3.44Å; V459-L463 PolarHBondContact O-N 3.26Å; P460-L463 WeakPolarHBondContact O-CB 3.31Å; P460-L463 PolarHBondContact O-N 2.83Å; Y461-L463 VanDerWaalsContact C-N 3.28Å; Y461-L463 PolarHBondContact O-N 3.35Å; L463-G465 VanDerWaalsContact C-N 3.34Å; L463-G465 PolarHBondContact O-N 2.84Å; L463-T466 PolarHBondContact O-N 3.23Å; L463-T466 VanDerWaalsContact O-N 3.1Å; L463-Q467 WeakPolarHBondContact O-CG 3.17Å; L463-Q467 PolarHBondContact O-N 3.31Å
464A95.3Very high94.2Very high38 Ų3838 Ų3831%0.31420%0.203SC..Hα-helixtrans-58.1-46.4179.700000111.3P460 Y461 T466 Q467 H468P460-A464 WeakPolarHBondContact O-CB 3.22Å; P460-A464 PolarHBondContact O-N 3.42Å; Y461-A464 PolarHBondContact O-N 3.22Å; A464-T466 VanDerWaalsContact C-N 3.28Å; A464-T466 PolarHBondContact O-N 3.06Å; A464-Q467 WeakPolarHBondContact O-CB 3.36Å; A464-Q467 PolarHBondContact O-N 3.3Å; A464-Q467 VanDerWaalsContact O-N 3.16Å; A464-H468 PolarHBondContact O-CD2 3.44Å; A464-H468 PolarHBondContact O-N 3.37Å
465G94.9Very high94.3Very high19 Ų1936.5 Ų36.520%0.19619%0.192CC..Hα-helixtrans-62.9-33.4177.700000113.4Y461 L463 S469Y461-G465 PolarHBondContact O-N 3.45Å; L463-G465 VanDerWaalsContact C-N 3.34Å; L463-G465 PolarHBondContact O-N 2.84Å; G465-S469 WeakPolarHBondContact O-CB 3.11Å; G465-S469 PolarHBondContact O-N 2.58Å; G465-S469 PolarHBondContact O-OG 3.03Å
466T94.7Very high94.5Very high0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-71.6-39174.8-55.20000111.2L51 L378 L462 L463 A464 S469 C470L51-T466 HydrophobicContact CD1-CG2 4.08Å; L51-T466 HydrophobicContact CD2-CG2 4.03Å; L378-T466 HydrophobicContact CD1-CG2 3.84Å; L462-T466 WeakPolarHBondContact O-CB 3.45Å; L462-T466 PolarHBondContact O-N 3.36Å; L462-T466 PolarHBondContact O-OG1 3.18Å; L463-T466 PolarHBondContact O-N 3.23Å; L463-T466 VanDerWaalsContact O-N 3.1Å; A464-T466 VanDerWaalsContact C-N 3.28Å; A464-T466 PolarHBondContact O-N 3.06Å; T466-S469 PolarHBondContact O-N 3.3Å; T466-C470 PolarHBondContact O-N 2.68Å; T466-C470 PolarHBondContact O-SG 2.73Å
467Q96.3Very high94.7Very high35 Ų3538.1 Ų38.116%0.16420%0.202CC..Hα-helixtrans-62.8-46.9174.3-71.6-178.4-56.300111.6A46 V49 L51 L463 A464 S469 C470 Q471A46-Q467 HydrophobicContact CB-CB 4.36Å; V49-Q467 HydrophobicContact CB-CB 4.25Å; V49-Q467 HydrophobicContact CB-CG 4.18Å; V49-Q467 HydrophobicContact CG1-CG 4.49Å; V49-Q467 PolarHBondContact O-NE2 3.13Å; L51-Q467 HydrophobicContact CD1-CG 3.47Å; L51-Q467 VanDerWaalsContact CD1-CG 3.47Å; L51-Q467 HydrophobicContact CD2-CG 4.5Å; L51-Q467 HydrophobicContact CG-CG 3.91Å; L463-Q467 WeakPolarHBondContact O-CG 3.17Å; L463-Q467 PolarHBondContact O-N 3.31Å; A464-Q467 WeakPolarHBondContact O-CB 3.36Å; A464-Q467 PolarHBondContact O-N 3.3Å; A464-Q467 VanDerWaalsContact O-N 3.16Å; Q467-S469 VanDerWaalsContact C-N 3.32Å; Q467-S469 PolarHBondContact O-N 3.45Å; Q467-C470 PolarHBondContact O-N 3.25Å; Q467-Q471 WeakPolarHBondContact O-CB 3.42Å; Q467-Q471 PolarHBondContact O-N 3.16Å
468H96.9Very high94.8Very high99 Ų9930.8 Ų30.846%0.45817%0.17SC..Hα-helixtrans-57.6-44.9173.4-78.5-67.3000111.7A464 C470 Q471 D472A464-H468 PolarHBondContact O-CD2 3.44Å; A464-H468 PolarHBondContact O-N 3.37Å; H468-C470 VanDerWaalsContact C-N 3.33Å; H468-C470 PolarHBondContact O-N 2.74Å; H468-Q471 WeakPolarHBondContact O-CB 2.81Å; H468-Q471 PolarHBondContact O-N 3.47Å; H468-D472 PolarHBondContact O-N 3.02Å
469S96Very high94.8Very high27 Ų2734.9 Ų34.919%0.18920%0.196CC..Hα-helixtrans-59.8-42.8176.5-57.30000112.1G465 T466 Q467 I473G465-S469 WeakPolarHBondContact O-CB 3.11Å; G465-S469 PolarHBondContact O-N 2.58Å; G465-S469 PolarHBondContact O-OG 3.03Å; T466-S469 PolarHBondContact O-N 3.3Å; Q467-S469 VanDerWaalsContact C-N 3.32Å; Q467-S469 PolarHBondContact O-N 3.45Å; S469-I473 VanDerWaalsContact O-CD1 3.26Å; S469-I473 WeakPolarHBondContact O-CD1 3.4Å; S469-I473 WeakPolarHBondContact O-CG1 3.47Å; S469-I473 PolarHBondContact O-N 3.03Å
470C96Very high94.9Very high1 Ų138.1 Ų38.11%0.00721%0.211CC..Hα-helixtrans-67.9-36.3177.3-65.60000112.1V49 T466 Q467 H468 I473 G474 A475V49-C470 HydrophobicContact CG1-CB 3.65Å; V49-C470 HydrophobicContact CG2-CB 4.3Å; T466-C470 PolarHBondContact O-N 2.68Å; T466-C470 PolarHBondContact O-SG 2.73Å; Q467-C470 PolarHBondContact O-N 3.25Å; H468-C470 VanDerWaalsContact C-N 3.33Å; H468-C470 PolarHBondContact O-N 2.74Å; C470-I473 PolarHBondContact O-N 2.95Å; C470-G474 PolarHBondContact O-N 2.83Å; C470-G474 VanDerWaalsContact O-N 3.09Å; C470-A475 PolarHBondContact O-N 3.21Å
471Q97.5Very high95Very high37 Ų3735.2 Ų35.217%0.17319%0.192CC..Hα-helixtrans-61.5-51.4174.9-172.3-167.613.800110.7I42 F44 A46 V49 Q467 H468 I473 G474I42-Q471 HydrophobicContact CD1-CG 4.49Å; I42-Q471 WeakPolarHBondContact CD1-O 3.48Å; I42-Q471 VanDerWaalsContact CG1-O 3.23Å; I42-Q471 WeakPolarHBondContact CG1-O 3.49Å; I42-Q471 HydrophobicContact CG2-CG 3.74Å; F44-Q471 HydrophobicContact CD2-CG 4.3Å; F44-Q471 HydrophobicContact CE2-CB 4.05Å; F44-Q471 HydrophobicContact CE2-CG 3.89Å; F44-Q471 HydrophobicContact CZ-CG 4.41Å; F44-Q471 PolarHBondContact O-NE2 2.95Å; A46-Q471 HydrophobicContact CB-CB 4.41Å; A46-Q471 VanDerWaalsContact N-CD 3.3Å; V49-Q471 HydrophobicContact CG2-CB 4.46Å; Q467-Q471 WeakPolarHBondContact O-CB 3.42Å; Q467-Q471 PolarHBondContact O-N 3.16Å; H468-Q471 WeakPolarHBondContact O-CB 2.81Å; H468-Q471 PolarHBondContact O-N 3.47Å; Q471-I473 PolarHBondContact O-N 3.02Å; Q471-G474 WeakPolarHBondContact O-CA 3.15Å; Q471-G474 PolarHBondContact O-N 2.93Å
472D96.9Very high94.9Very high90 Ų9033.4 Ų33.448%0.48119%0.185SC..Hα-helixtrans-60.5-31.5-180-68.5-18.2000112.2P39 G40 H468 G474P39-D472 WeakPolarHBondContact CA-O 3.44Å; P39-D472 WeakPolarHBondContact CB-O 3.47Å; G40-D472 PolarHBondContact N-O 2.95Å; G40-D472 VanDerWaalsContact N-O 3.12Å; H468-D472 PolarHBondContact O-N 3.02Å; D472-G474 VanDerWaalsContact C-N 3.31Å
473I96.1Very high94.9Very high16 Ų1635.8 Ų35.88%0.08221%0.205CC..Hα-helixtrans-74.1-20.9173.3-67165.7000112.3I37 G40 S469 C470 Q471 L481 L490I37-I473 HydrophobicContact CB-CD1 4.38Å; I37-I473 HydrophobicContact CB-CG1 4.47Å; I37-I473 HydrophobicContact CD1-CD1 3.83Å; I37-I473 HydrophobicContact CG2-CD1 3.91Å; I37-I473 HydrophobicContact CG2-CG1 3.8Å; I37-I473 HydrophobicContact CG2-CG2 4.34Å; G40-I473 WeakPolarHBondContact CA-O 3.4Å; G40-I473 PolarHBondContact N-O 2.69Å; S469-I473 VanDerWaalsContact O-CD1 3.26Å; S469-I473 WeakPolarHBondContact O-CD1 3.4Å; S469-I473 WeakPolarHBondContact O-CG1 3.47Å; S469-I473 PolarHBondContact O-N 3.03Å; C470-I473 PolarHBondContact O-N 2.95Å; Q471-I473 PolarHBondContact O-N 3.02Å; I473-L481 HydrophobicContact CB-CD1 4.5Å; I473-L481 HydrophobicContact CD1-CD1 4.13Å; I473-L481 HydrophobicContact CG2-CD1 3.65Å; I473-L490 HydrophobicContact CG2-CD1 3.37Å
474G95Very high94.8Very high11 Ų1135.9 Ų35.911%0.11321%0.205CC..THydrogen-bonded Turntrans87.120.3-175.700000114.5Y41 C470 Q471 D472Y41-G474 VanDerWaalsContact O-CA 3.3Å; Y41-G474 WeakPolarHBondContact O-CA 3.45Å; C470-G474 PolarHBondContact O-N 2.83Å; C470-G474 VanDerWaalsContact O-N 3.09Å; Q471-G474 WeakPolarHBondContact O-CA 3.15Å; Q471-G474 PolarHBondContact O-N 2.93Å; D472-G474 VanDerWaalsContact C-N 3.31Å
475A95.3Very high94.7Very high0 Ų034.5 Ų34.50%019%0.192CC..  trans-104.8117.1179.200000112.5C470 S477 L481 L484C470-A475 PolarHBondContact O-N 3.21Å; A475-S477 VanDerWaalsContact C-N 3.28Å; A475-S477 PolarHBondContact O-N 3.46Å; A475-L481 HydrophobicContact CB-CB 3.8Å; A475-L481 HydrophobicContact CB-CD1 4.1Å; A475-L484 HydrophobicContact CB-CD1 4.26Å
476K95.9Very high94.6Very high79 Ų7937 Ų3734%0.34320%0.196SC..SBendtrans-75.2-12.7176.7-63.4-178.1-179.9176.50113.5D43 F44 V49 D50D43-K476 WeakPolarHBondContact OD1-CE 3.46Å; D43-K476 IonicContact OD1-NZ 2.88Å; D43-K476 PolarHBondContact OD1-NZ 3.23Å; D43-K476 IonicContact OD2-NZ 3.67Å; D43-K476 PolarHBondContact OD2-NZ 2.97Å; F44-K476 HydrophobicContact CD1-CD 3.99Å; F44-K476 HydrophobicContact CD1-CG 3.52Å; F44-K476 HydrophobicContact CD2-CG 3.99Å; F44-K476 HydrophobicContact CE1-CD 4.38Å; F44-K476 HydrophobicContact CE1-CG 3.53Å; F44-K476 HydrophobicContact CE2-CG 4.03Å; F44-K476 HydrophobicContact CG-CD 4.23Å; F44-K476 HydrophobicContact CG-CG 3.75Å; F44-K476 HydrophobicContact CZ-CG 3.8Å; V49-K476 WeakPolarHBondContact CA-O 3.03Å; D50-K476 PolarHBondContact N-O 3.29Å
477S95.3Very high94.4Very high29 Ų2940.2 Ų40.220%0.20322%0.219CC..BIsolated β-bridgetrans-154.4161.1175.266.60000112.2D50 A475 T479 Q480 L481D50-S477 VanDerWaalsContact O-CA 3.25Å; D50-S477 WeakPolarHBondContact O-CA 3.25Å; A475-S477 VanDerWaalsContact C-N 3.28Å; A475-S477 PolarHBondContact O-N 3.46Å; S477-T479 PolarHBondContact O-N 3.08Å; S477-Q480 PolarHBondContact O-N 3.21Å; S477-Q480 VanDerWaalsContact O-N 3.17Å; S477-Q480 WeakPolarHBondContact OG-CB 3.25Å; S477-Q480 PolarHBondContact OG-N 2.8Å; S477-Q480 VanDerWaalsContact OG-N 3.09Å; S477-L481 PolarHBondContact O-N 2.86Å
478L93.3Very high94.2Very high0 Ų039.2 Ų39.20%022%0.218CC..Hα-helixtrans-63.2-28.9173.3-64.7-179.8000113D50 L51 P64 L378 L481 R482D50-L478 PolarHBondContact O-N 3.31Å; L51-L478 HydrophobicContact CB-CD1 4.32Å; L51-L478 HydrophobicContact CD2-CD1 4.19Å; L51-L478 HydrophobicContact CD2-CD2 3.77Å; L51-L478 HydrophobicContact CD2-CG 3.82Å; L51-L478 WeakPolarHBondContact O-CD1 3.38Å; P64-L478 HydrophobicContact CB-CD1 3.98Å; P64-L478 HydrophobicContact CG-CD1 4.05Å; L378-L478 HydrophobicContact CB-CD2 4.3Å; L378-L478 HydrophobicContact CD1-CD1 4.42Å; L378-L478 HydrophobicContact CD1-CD2 3.91Å; L378-L478 HydrophobicContact CD2-CD1 4.45Å; L478-L481 HydrophobicContact CD2-CD2 4.13Å; L478-R482 WeakPolarHBondContact O-CG 3.43Å; L478-R482 VanDerWaalsContact O-CZ 3.28Å; L478-R482 PolarHBondContact O-N 3.18Å; L478-R482 VanDerWaalsContact O-N 3.13Å; L478-R482 PolarHBondContact O-NE 3.39Å
479T92.1Very high94Very high90 Ų9040.9 Ų40.955%0.55223%0.226SC*.Hα-helixtrans-67.5-44.2173.9-63.10000111S477 R482 A483S477-T479 PolarHBondContact O-N 3.08Å; T479-R482 PolarHBondContact O-N 2.87Å; T479-R482 PolarHBondContact OG1-NH2 3.25Å; T479-A483 WeakPolarHBondContact O-CB 3.39Å; T479-A483 PolarHBondContact O-N 3.21Å
480Q93.8Very high93.9Very high72 Ų7239.9 Ų39.934%0.33622%0.218SC..Hα-helixtrans-63.6-44174.1-172.6-178.413.800111.3S477 R482 A483 L484S477-Q480 PolarHBondContact O-N 3.21Å; S477-Q480 VanDerWaalsContact O-N 3.17Å; S477-Q480 WeakPolarHBondContact OG-CB 3.25Å; S477-Q480 PolarHBondContact OG-N 2.8Å; S477-Q480 VanDerWaalsContact OG-N 3.09Å; Q480-R482 VanDerWaalsContact C-N 3.29Å; Q480-R482 PolarHBondContact O-N 3.25Å; Q480-A483 WeakPolarHBondContact O-CA 3.47Å; Q480-A483 WeakPolarHBondContact O-CB 3.43Å; Q480-A483 PolarHBondContact O-N 3.47Å; Q480-L484 HydrophobicContact CG-CD1 4.23Å; Q480-L484 HydrophobicContact CG-CG 4.3Å; Q480-L484 WeakPolarHBondContact O-CG 3.06Å; Q480-L484 PolarHBondContact O-N 3.16Å
481L94.1Very high93.9Very high1 Ų141.3 Ų41.31%0.00522%0.224CC..Hα-helixtrans-54.1-46.3177.8179.563.2000111.9L378 A379 I473 A475 S477 L478 M485 L490L378-L481 HydrophobicContact CB-CD2 4.3Å; A379-L481 HydrophobicContact CB-CD1 4.13Å; A379-L481 HydrophobicContact CB-CD2 4.11Å; A379-L481 HydrophobicContact CB-CG 4.2Å; I473-L481 HydrophobicContact CB-CD1 4.5Å; I473-L481 HydrophobicContact CD1-CD1 4.13Å; I473-L481 HydrophobicContact CG2-CD1 3.65Å; A475-L481 HydrophobicContact CB-CB 3.8Å; A475-L481 HydrophobicContact CB-CD1 4.1Å; S477-L481 PolarHBondContact O-N 2.86Å; L478-L481 HydrophobicContact CD2-CD2 4.13Å; L481-M485 PolarHBondContact O-N 3.06Å; L481-M485 VanDerWaalsContact O-N 3.16Å; L481-L490 HydrophobicContact CD1-CD2 4.12Å
482R91.6Very high93.9Very high29 Ų2939.5 Ų39.511%0.10922%0.216CC..Hα-helixtrans-67.6-38.8175.9-70.8-177.4-67.4-97-1.6112.4A382 S383 L478 T479 Q480 M485 Y486A382-R482 PolarHBondContact O-NH1 2.85Å; S383-R482 PolarHBondContact O-NH1 3.12Å; L478-R482 WeakPolarHBondContact O-CG 3.43Å; L478-R482 VanDerWaalsContact O-CZ 3.28Å; L478-R482 PolarHBondContact O-N 3.18Å; L478-R482 VanDerWaalsContact O-N 3.13Å; L478-R482 PolarHBondContact O-NE 3.39Å; T479-R482 PolarHBondContact O-N 2.87Å; T479-R482 PolarHBondContact OG1-NH2 3.25Å; Q480-R482 VanDerWaalsContact C-N 3.29Å; Q480-R482 PolarHBondContact O-N 3.25Å; R482-M485 PolarHBondContact O-N 3.14Å; R482-Y486 HydrophobicContact CB-CD2 4.47Å; R482-Y486 HydrophobicContact CB-CE2 4.08Å; R482-Y486 WeakPolarHBondContact O-CD2 3.37Å; R482-Y486 VanDerWaalsContact O-CG 3.24Å; R482-Y486 PolarHBondContact O-N 2.75Å
483A91.5Very high93.8Very high52 Ų5239.1 Ų39.143%0.4321%0.211SC..Hα-helixtrans-61.9-45.2177.500000111.4T479 Q480 M485 Y486 S487T479-A483 WeakPolarHBondContact O-CB 3.39Å; T479-A483 PolarHBondContact O-N 3.21Å; Q480-A483 WeakPolarHBondContact O-CA 3.47Å; Q480-A483 WeakPolarHBondContact O-CB 3.43Å; Q480-A483 PolarHBondContact O-N 3.47Å; A483-M485 VanDerWaalsContact C-N 3.31Å; A483-M485 PolarHBondContact O-N 3.34Å; A483-Y486 PolarHBondContact O-N 2.88Å; A483-Y486 VanDerWaalsContact O-N 3.14Å; A483-S487 PolarHBondContact O-N 3.05Å; A483-S487 PolarHBondContact O-OG 2.96Å
484L92.6Very high93.8Very high29 Ų2942.5 Ų42.515%0.15223%0.226CC..Hα-helixtrans-59.8-40.2175-67.2171.8000111.9A475 Q480 S487 G488 E489 L490A475-L484 HydrophobicContact CB-CD1 4.26Å; Q480-L484 HydrophobicContact CG-CD1 4.23Å; Q480-L484 HydrophobicContact CG-CG 4.3Å; Q480-L484 WeakPolarHBondContact O-CG 3.06Å; Q480-L484 PolarHBondContact O-N 3.16Å; L484-S487 PolarHBondContact O-OG 2.87Å; L484-G488 PolarHBondContact O-N 3.49Å; L484-G488 VanDerWaalsContact O-N 3.16Å; L484-E489 HydrophobicContact CD2-CB 3.97Å; L484-E489 VanDerWaalsContact CD2-OE2 3.23Å; L484-E489 WeakPolarHBondContact CD2-OE2 3.28Å; L484-E489 PolarHBondContact O-N 2.81Å; L484-L490 HydrophobicContact CB-CB 4.01Å; L484-L490 PolarHBondContact O-N 3.01Å
485M93.8Very high93.8Very high8 Ų843.8 Ų43.84%0.03923%0.227CC..Hα-helixtrans-64.1-42.7174.7-174.9-88.3-66.500112.2Y349 A379 L380 L481 R482 A483 G488 L490 F492Y349-M485 HydrophobicContact CD2-SD 4.24Å; Y349-M485 HydrophobicContact CE2-SD 3.73Å; A379-M485 WeakPolarHBondContact O-CB 3.41Å; A379-M485 VanDerWaalsContact O-CG 3.3Å; A379-M485 WeakPolarHBondContact O-CG 3.27Å; L380-M485 VanDerWaalsContact C-CE 3.45Å; L380-M485 WeakPolarHBondContact O-CE 3.4Å; L481-M485 PolarHBondContact O-N 3.06Å; L481-M485 VanDerWaalsContact O-N 3.16Å; R482-M485 PolarHBondContact O-N 3.14Å; A483-M485 VanDerWaalsContact C-N 3.31Å; A483-M485 PolarHBondContact O-N 3.34Å; M485-G488 PolarHBondContact O-N 3.26Å; M485-L490 HydrophobicContact CB-CB 4.38Å; M485-L490 HydrophobicContact CB-CD2 3.96Å; M485-L490 HydrophobicContact CG-CD2 4.49Å; M485-F492 HydrophobicContact CG-CE2 4.2Å; M485-F492 HydrophobicContact CG-CZ 3.99Å
486Y91.1Very high93.8Very high72 Ų7248.3 Ų48.328%0.28225%0.254SS..Hα-helixtrans-73.8-29.9-179.8-65.1-36.8000113.9R356 R482 A483 G488R356-Y486 VanDerWaalsContact CD-CZ 3.49Å; R482-Y486 HydrophobicContact CB-CD2 4.47Å; R482-Y486 HydrophobicContact CB-CE2 4.08Å; R482-Y486 WeakPolarHBondContact O-CD2 3.37Å; R482-Y486 VanDerWaalsContact O-CG 3.24Å; R482-Y486 PolarHBondContact O-N 2.75Å; A483-Y486 PolarHBondContact O-N 2.88Å; A483-Y486 VanDerWaalsContact O-N 3.14Å; Y486-G488 VanDerWaalsContact C-N 3.31Å
487S92.2Very high93.7Very high68 Ų6849 Ų4948%0.47627%0.269SS..Hα-helixtrans-77-19.6174.167.30000112.7A483 L484 E489A483-S487 PolarHBondContact O-N 3.05Å; A483-S487 PolarHBondContact O-OG 2.96Å; L484-S487 PolarHBondContact O-OG 2.87Å; S487-E489 VanDerWaalsContact C-N 3.31Å; S487-E489 WeakPolarHBondContact CB-OE1 3.44Å; S487-E489 VanDerWaalsContact OG-CD 3.32Å; S487-E489 WeakPolarHBondContact OG-CG 3.3Å; S487-E489 PolarHBondContact OG-N 2.72Å; S487-E489 PolarHBondContact OG-OE1 2.88Å
488G91.6Very high93.7Very high14 Ų1451.9 Ų51.914%0.14429%0.29CS..THydrogen-bonded Turntrans847.1-176.500000113.7L484 M485 Y486 L490 K491L484-G488 PolarHBondContact O-N 3.49Å; L484-G488 VanDerWaalsContact O-N 3.16Å; M485-G488 PolarHBondContact O-N 3.26Å; Y486-G488 VanDerWaalsContact C-N 3.31Å; G488-L490 VanDerWaalsContact C-N 3.35Å; G488-K491 WeakPolarHBondContact O-CE 3.17Å; G488-K491 PolarHBondContact O-NZ 3.47Å
489E91.4Very high93.8Very high133 Ų13353.1 Ų53.162%0.62130%0.3SS*.  trans-68.8-35.8169.4-73.8164.9-117.700111.2L484 S487 K491L484-E489 HydrophobicContact CD2-CB 3.97Å; L484-E489 VanDerWaalsContact CD2-OE2 3.23Å; L484-E489 WeakPolarHBondContact CD2-OE2 3.28Å; L484-E489 PolarHBondContact O-N 2.81Å; S487-E489 VanDerWaalsContact C-N 3.31Å; S487-E489 WeakPolarHBondContact CB-OE1 3.44Å; S487-E489 VanDerWaalsContact OG-CD 3.32Å; S487-E489 WeakPolarHBondContact OG-CG 3.3Å; S487-E489 PolarHBondContact OG-N 2.72Å; S487-E489 PolarHBondContact OG-OE1 2.88Å; E489-K491 PolarHBondContact O-N 3.4Å
490L94.3Very high93.8Very high7 Ų751.4 Ų51.44%0.03729%0.285CS..SBendtrans-72.6118.6172.5-16966.4000109.7I37 A379 I473 L481 L484 M485 G488 F492I37-L490 HydrophobicContact CG2-CD1 3.57Å; I37-L490 HydrophobicContact CG2-CD2 4.22Å; I37-L490 HydrophobicContact CG2-CG 4.03Å; A379-L490 HydrophobicContact CB-CD2 4.12Å; I473-L490 HydrophobicContact CG2-CD1 3.37Å; L481-L490 HydrophobicContact CD1-CD2 4.12Å; L484-L490 HydrophobicContact CB-CB 4.01Å; L484-L490 PolarHBondContact O-N 3.01Å; M485-L490 HydrophobicContact CB-CB 4.38Å; M485-L490 HydrophobicContact CB-CD2 3.96Å; M485-L490 HydrophobicContact CG-CD2 4.49Å; G488-L490 VanDerWaalsContact C-N 3.35Å; L490-F492 HydrophobicContact CB-CE2 4.49Å; L490-F492 HydrophobicContact CD2-CE1 4.24Å; L490-F492 HydrophobicContact CD2-CE2 4.22Å; L490-F492 HydrophobicContact CD2-CZ 3.64Å; L490-F492 HydrophobicContact CG-CE2 4.19Å; L490-F492 HydrophobicContact CG-CZ 4.05Å
491K96.3Very high93.8Very high30 Ų3053.7 Ų53.713%0.1330%0.299CS..EExtended strand (participates in β ladder)trans-103.4152.2179.6-54.9-62.1-169.7179.80111.3E15 D16 L18 T19 L38 G488 E489E15-K491 IonicContact OE1-NZ 3.9Å; E15-K491 IonicContact OE2-NZ 3.63Å; E15-K491 PolarHBondContact OE2-NZ 3.14Å; D16-K491 WeakPolarHBondContact O-CG 3.37Å; L18-K491 CarbonylContact O-C 3.59Å; L18-K491 WeakPolarHBondContact O-CA 3.46Å; T19-K491 HydrophobicContact CG2-CD 4.34Å; L38-K491 HydrophobicContact CB-CB 4.24Å; L38-K491 HydrophobicContact CD1-CB 3.82Å; L38-K491 HydrophobicContact CG-CB 4.28Å; L38-K491 PolarHBondContact N-O 2.99Å; G488-K491 WeakPolarHBondContact O-CE 3.17Å; G488-K491 PolarHBondContact O-NZ 3.47Å; E489-K491 PolarHBondContact O-N 3.4Å
492F97Very high93.8Very high0 Ų060 Ų600%033%0.328CS..EExtended strand (participates in β ladder)trans-132.3158.2-177.1-57.3-93.5000109.7L18 L23 F35 L36 I37 L380 M485 L490L18-F492 WeakPolarHBondContact CB-O 3.32Å; L18-F492 PolarHBondContact N-O 3.13Å; L18-F492 PolarHBondContact O-N 2.9Å; L23-F492 HydrophobicContact CD2-CB 3.72Å; L23-F492 HydrophobicContact CD2-CG 4.12Å; F35-F492 AromaticContact CD2-CD1 3.75Å; F35-F492 HydrophobicContact CD2-CD1 3.75Å; F35-F492 HydrophobicContact CD2-CE1 4.47Å; F35-F492 AromaticContact CE2-CD1 3.8Å; F35-F492 HydrophobicContact CE2-CD1 3.8Å; F35-F492 HydrophobicContact CE2-CE1 4.07Å; L36-F492 CarbonylContact O-C 3.46Å; L36-F492 WeakPolarHBondContact O-CA 3.42Å; L36-F492 WeakPolarHBondContact O-CB 3.26Å; I37-F492 HydrophobicContact CD1-CE1 4.49Å; I37-F492 HydrophobicContact CG1-CD1 3.92Å; I37-F492 HydrophobicContact CG1-CE1 3.82Å; L380-F492 HydrophobicContact CD2-CE1 4.03Å; L380-F492 HydrophobicContact CD2-CZ 4.16Å; M485-F492 HydrophobicContact CG-CE2 4.2Å; M485-F492 HydrophobicContact CG-CZ 3.99Å; L490-F492 HydrophobicContact CB-CE2 4.49Å; L490-F492 HydrophobicContact CD2-CE1 4.24Å; L490-F492 HydrophobicContact CD2-CE2 4.22Å; L490-F492 HydrophobicContact CD2-CZ 3.64Å; L490-F492 HydrophobicContact CG-CE2 4.19Å; L490-F492 HydrophobicContact CG-CZ 4.05Å
493E96.3Very high93.7Very high81 Ų8161.4 Ų61.438%0.37935%0.352SS..EExtended strand (participates in β ladder)trans-133.8132.6177.1-168.553.7-125.100110.4F35 L36 L38F35-E493 CarbonylContact C-O 3.49Å; F35-E493 WeakPolarHBondContact CA-O 3.35Å; F35-E493 WeakPolarHBondContact CB-O 3.27Å; L36-E493 PolarHBondContact N-O 2.97Å; L36-E493 PolarHBondContact O-N 3.14Å; L38-E493 HydrophobicContact CD2-CB 4.05Å
494K95.6Very high93.6Very high88 Ų8861 Ų6138%0.38335%0.353SS..EExtended strand (participates in β ladder)trans-80.2137.4178.5-170.8-179.2175.6-171.80109.3L23 D28 D34L23-K494 HydrophobicContact CD1-CB 4.07Å; D28-K494 IonicContact OD2-NZ 2.87Å; D28-K494 PolarHBondContact OD2-NZ 2.95Å; D34-K494 WeakPolarHBondContact O-CG 3.41Å
495R95.2Very high93.5Very high38 Ų3863.3 Ų63.314%0.14337%0.368CS..PPolyproline II helixtrans-102.7131.3177.1-65.2175.779.9-179.213110.9D34 L36 A499 Q500D34-R495 PolarHBondContact O-N 2.86Å; L36-R495 HydrophobicContact CD1-CG 3.89Å; L36-R495 HydrophobicContact CG-CG 4.13Å; R495-A499 HydrophobicContact CB-CB 4.17Å; R495-A499 PolarHBondContact NE-O 3.05Å; R495-A499 PolarHBondContact NH2-O 3.28Å; R495-Q500 HydrophobicContact CB-CG 3.97Å; R495-Q500 VanDerWaalsContact NH2-CA 3.29Å; R495-Q500 PolarHBondContact NH2-O 3.11Å
496T95.1Very high93.5Very high94 Ų9467.4 Ų67.458%0.57739%0.387SS*.PPolyproline II helixtrans-71.4163.1163.965.20000110.5S498 A499 Q500T496-S498 PolarHBondContact O-N 3.27Å; T496-A499 WeakPolarHBondContact O-CB 3.28Å; T496-A499 PolarHBondContact O-N 3.25Å; T496-A499 VanDerWaalsContact O-N 3.08Å; T496-A499 PolarHBondContact OG1-N 2.77Å; T496-Q500 WeakPolarHBondContact O-CG 3.46Å; T496-Q500 PolarHBondContact O-N 3.43Å
497S93.8Very high93.6Very high94 Ų9469.5 Ų69.566%0.65741%0.412SS*.Hα-helixtrans-57-37.2177.4-49.60000112.6Q500 I501S497-Q500 WeakPolarHBondContact O-CB 3.5Å; S497-Q500 PolarHBondContact O-N 2.87Å; S497-I501 PolarHBondContact O-N 2.94Å
498S95Very high93.6Very high90 Ų9071.9 Ų71.963%0.62942%0.419SS*.Hα-helixtrans-66.6-42175.4-580000112.2T496 Q500 I501 E502T496-S498 PolarHBondContact O-N 3.27Å; S498-Q500 PolarHBondContact O-N 3.11Å; S498-I501 PolarHBondContact O-N 3.43Å; S498-E502 PolarHBondContact O-N 3.23Å
499A95Very high93.5Very high26 Ų2680.4 Ų80.422%0.21546%0.455CS..Hα-helixtrans-63.6-28.8174.300000111.9R495 T496 G503R495-A499 HydrophobicContact CB-CB 4.17Å; R495-A499 PolarHBondContact NE-O 3.05Å; R495-A499 PolarHBondContact NH2-O 3.28Å; T496-A499 WeakPolarHBondContact O-CB 3.28Å; T496-A499 PolarHBondContact O-N 3.25Å; T496-A499 VanDerWaalsContact O-N 3.08Å; T496-A499 PolarHBondContact OG1-N 2.77Å; A499-G503 PolarHBondContact O-N 3.49Å; A499-G503 VanDerWaalsContact O-N 3.13Å
500Q93.4Very high93.5Very high53 Ų5378.6 Ų78.625%0.24846%0.456CS..Hα-helixtrans-65.2-44.8173.1-67.2-176.232.200112.6D34 R495 T496 S497 S498 G503 G504D34-Q500 PolarHBondContact OD1-NE2 3.08Å; R495-Q500 HydrophobicContact CB-CG 3.97Å; R495-Q500 VanDerWaalsContact NH2-CA 3.29Å; R495-Q500 PolarHBondContact NH2-O 3.11Å; T496-Q500 WeakPolarHBondContact O-CG 3.46Å; T496-Q500 PolarHBondContact O-N 3.43Å; S497-Q500 WeakPolarHBondContact O-CB 3.5Å; S497-Q500 PolarHBondContact O-N 2.87Å; S498-Q500 PolarHBondContact O-N 3.11Å; Q500-G503 PolarHBondContact O-N 2.99Å; Q500-G504 PolarHBondContact O-N 2.85Å
501I92.6Very high93.3Very high121 Ų12184.9 Ų84.962%0.62148%0.481SS*.Hα-helixtrans-62.5-44.3176.9-64.2167.4000110.6S497 S498 G503 G504S497-I501 PolarHBondContact O-N 2.94Å; S498-I501 PolarHBondContact O-N 3.43Å; I501-G503 PolarHBondContact O-N 3.25Å; I501-G504 PolarHBondContact O-N 3.49Å; I501-G504 VanDerWaalsContact O-N 3.11Å
502E93.6Very high92.9Very high133 Ų13390 Ų9062%0.62151%0.505SS*.Hα-helixtrans-60.8-41.7177.3-179.9-175.9-138.500112.7S498 G504 H506S498-E502 PolarHBondContact O-N 3.23Å; E502-G504 PolarHBondContact O-N 2.62Å; E502-H506 PolarHBondContact O-CD2 3.22Å; E502-H506 PolarHBondContact O-NE2 3.47Å; E502-H506 VanDerWaalsContact O-NE2 3.11Å
503G90.1Very high92Very high59 Ų5997 Ų9761%0.60854%0.536SS*.THydrogen-bonded Turntrans-76.30.6177.600000114.5A499 Q500 I501A499-G503 PolarHBondContact O-N 3.49Å; A499-G503 VanDerWaalsContact O-N 3.13Å; Q500-G503 PolarHBondContact O-N 2.99Å; I501-G503 PolarHBondContact O-N 3.25Å
504G90.3Very high91.2Very high44 Ų44102 Ų10245%0.45455%0.551SS.*SBendtrans-86.4-169.3168.600000112.3Q500 I501 E502Q500-G504 PolarHBondContact O-N 2.85Å; I501-G504 PolarHBondContact O-N 3.49Å; I501-G504 VanDerWaalsContact O-N 3.11Å; E502-G504 PolarHBondContact O-N 2.62Å
505V90.3Very high90.2Very high77 Ų77102.1 Ų102.147%0.46756%0.555SS.*SBendtrans-83.6122.2167.8-178.30000108L508 Y511V505-L508 HydrophobicContact CG1-CD1 3.82Å; V505-Y511 HydrophobicContact CB-CD1 4.44Å; V505-Y511 HydrophobicContact CB-CD2 4.33Å; V505-Y511 HydrophobicContact CB-CE1 4.13Å; V505-Y511 HydrophobicContact CB-CE2 4.01Å; V505-Y511 HydrophobicContact CG1-CD1 3.7Å; V505-Y511 HydrophobicContact CG1-CD2 3.95Å; V505-Y511 HydrophobicContact CG1-CE1 3.88Å; V505-Y511 HydrophobicContact CG1-CE2 4.1Å; V505-Y511 HydrophobicContact CG1-CG 3.75Å; V505-Y511 HydrophobicContact CG2-CD2 4.21Å; V505-Y511 HydrophobicContact CG2-CE2 3.92Å
506H92.5Very high88.9Confident94 Ų94107.4 Ų107.444%0.43558%0.58SS.*  trans-141.7167.6179.466.384.9000111.8E502 L508E502-H506 PolarHBondContact O-CD2 3.22Å; E502-H506 PolarHBondContact O-NE2 3.47Å; E502-H506 VanDerWaalsContact O-NE2 3.11Å; H506-L508 PolarHBondContact O-N 2.91Å
507S93.6Very high88.6Confident116 Ų116108.1 Ų108.181%0.81158%0.58SS**SBendtrans62.930.5176.6-50.90000115.9
508L92Very high88.3Confident117 Ų117108.8 Ų108.861%0.61358%0.576SS**  trans-125.2147.4176-63174.8000110.9V505 H506V505-L508 HydrophobicContact CG1-CD1 3.82Å; H506-L508 PolarHBondContact O-N 2.91Å
509H89.5Confident87.9Confident194 Ų194109.9 Ų109.990%0.89857%0.573SS**SBendtrans-69.9-40.7174.5175.6-86.1000112.2
510S92.4Very high87.5Confident94 Ų94114.8 Ų114.866%0.65759%0.594SS**  trans-154.6153.9174.354.60000110.1
511Y90.1Very high87.2Confident140 Ų140118.7 Ų118.755%0.54962%0.615SS.*  trans-151.1157.7174.871-82.6000110.4V505 K513V505-Y511 HydrophobicContact CB-CD1 4.44Å; V505-Y511 HydrophobicContact CB-CD2 4.33Å; V505-Y511 HydrophobicContact CB-CE1 4.13Å; V505-Y511 HydrophobicContact CB-CE2 4.01Å; V505-Y511 HydrophobicContact CG1-CD1 3.7Å; V505-Y511 HydrophobicContact CG1-CD2 3.95Å; V505-Y511 HydrophobicContact CG1-CE1 3.88Å; V505-Y511 HydrophobicContact CG1-CE2 4.1Å; V505-Y511 HydrophobicContact CG1-CG 3.75Å; V505-Y511 HydrophobicContact CG2-CD2 4.21Å; V505-Y511 HydrophobicContact CG2-CE2 3.92Å; Y511-K513 HydrophobicContact CD2-CB 4.4Å; Y511-K513 HydrophobicContact CE2-CB 4.09Å
512E87.4Confident86.8Confident137 Ų137118.5 Ų118.564%0.6462%0.615SS**  trans-116.5124.1172.6-168.8-176.9173.900109.2R514E512-R514 VanDerWaalsContact CD-NH2 3.29Å; E512-R514 HydrophobicContact CG-CG 4.19Å; E512-R514 PolarHBondContact O-N 2.76Å; E512-R514 IonicContact OE1-CZ 3.92Å; E512-R514 VanDerWaalsContact OE1-CZ 3.23Å; E512-R514 IonicContact OE1-NE 3.59Å; E512-R514 PolarHBondContact OE1-NE 3.22Å; E512-R514 IonicContact OE1-NH2 3.98Å; E512-R514 PolarHBondContact OE1-NH2 3.06Å; E512-R514 IonicContact OE2-CZ 3.03Å; E512-R514 IonicContact OE2-NE 3.91Å; E512-R514 PolarHBondContact OE2-NE 3.35Å; E512-R514 IonicContact OE2-NH2 3.06Å; E512-R514 PolarHBondContact OE2-NH2 3.42Å
513K79.3Confident86.3Confident148 Ų148117.5 Ų117.564%0.64361%0.614SS**  trans-96.491.2179-168.2174.3-175.3173.90110.2Y511Y511-K513 HydrophobicContact CD2-CB 4.4Å; Y511-K513 HydrophobicContact CE2-CB 4.09Å
514R79.4Confident86Confident185 Ų185122 Ų12270%0.69862%0.615SS**  trans-93.4129.2169.5-64.4-171.3-177.6169.210.1109.8E512E512-R514 VanDerWaalsContact CD-NH2 3.29Å; E512-R514 HydrophobicContact CG-CG 4.19Å; E512-R514 PolarHBondContact O-N 2.76Å; E512-R514 IonicContact OE1-CZ 3.92Å; E512-R514 VanDerWaalsContact OE1-CZ 3.23Å; E512-R514 IonicContact OE1-NE 3.59Å; E512-R514 PolarHBondContact OE1-NE 3.22Å; E512-R514 IonicContact OE1-NH2 3.98Å; E512-R514 PolarHBondContact OE1-NH2 3.06Å; E512-R514 IonicContact OE2-CZ 3.03Å; E512-R514 IonicContact OE2-NE 3.91Å; E512-R514 PolarHBondContact OE2-NE 3.35Å; E512-R514 IonicContact OE2-NH2 3.06Å; E512-R514 PolarHBondContact OE2-NH2 3.42Å
515L73.9Confident85.7Confident90 Ų90128.5 Ų128.547%0.47163%0.628SS.*  trans-89.4-32.8-178.5-65.3176.3000112.2Y461Y461-L515 HydrophobicContact CE1-CB 4.25Å; Y461-L515 WeakPolarHBondContact CE2-O 3.25Å
516F67.6Low85.3Confident150 Ų150133.2 Ų133.266%0.65864%0.643SS**  trans-161.10178.358.1-84.8000110.6K457 F458 Y461K457-F516 HydrophobicContact CB-CE2 4.37Å; F458-F516 HydrophobicContact CB-CZ 4.39Å; F458-F516 HydrophobicContact CD2-CD1 4.12Å; F458-F516 AromaticContact CD2-CE1 3.34Å; F458-F516 HydrophobicContact CD2-CE1 3.34Å; F458-F516 AromaticContact CD2-CZ 3.83Å; F458-F516 HydrophobicContact CD2-CZ 3.83Å; F458-F516 AromaticContact CE2-CE1 3.83Å; F458-F516 HydrophobicContact CE2-CE1 3.83Å; F458-F516 HydrophobicContact CG-CE1 4.4Å; Y461-F516 HydrophobicContact CD1-CD1 4.08Å; Y461-F516 HydrophobicContact CD2-CB 4Å; Y461-F516 HydrophobicContact CD2-CD1 4.44Å; Y461-F516 HydrophobicContact CG-CB 4.23Å; Y461-F516 HydrophobicContact CG-CD1 4.02Å; Y461-F516 HydrophobicContact CG-CG 4.38Å

Retrieved 516 of 516 residues in 1821.2 ms (Link to these results)

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