A0A087XLM9_POEFO Loading...

E2F transcription factor 4

AlphaFold DB , UniProt , Accession A0A087XLM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 387 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
1M35.3Very low36Very low226 Ų226150.6 Ų150.6100%1.11384%0.839SS**  0124.50-67.8145.8179.400105.8
2M35.8Very low35.9Very low167 Ų167151 Ų15182%0.82384%0.838SS**  65.9124.956.7-66.3161.414600110.5
3E33.8Very low37.3Very low173 Ų173148.1 Ų148.181%0.80883%0.83SS**  cis-128.6172.4-6.7-77.9116.513100109.1
4L39.9Very low37.1Very low160 Ų160143 Ų14384%0.83883%0.828SS**  cis79.614629.7-99.8176.8000117.4
5E38.7Very low37.2Very low176 Ų176142.9 Ų142.982%0.82283%0.83SS**  trans67.4153-177-52-151.497.700116.7
6S33Very low38Very low99 Ų99141.7 Ų141.769%0.69283%0.829SS**  cis-132.9148.91.7-109.20000108.9
7A40.3Very low37.9Very low88 Ų88137.6 Ų137.673%0.72782%0.824SS**  61.8142.261.500000114.1
8C31.2Very low38.4Very low112 Ų112138.2 Ų138.276%0.75782%0.822SS**  cis-168.9153.2-18.2177.20000108.5
9S35Very low38.4Very low124 Ų124136.2 Ų136.287%0.86782%0.816SS**  trans-159146.4156.9-87.50000112.9
10R38.9Very low38.9Very low251 Ų251137.3 Ų137.395%0.94782%0.816SS**  trans-116.5149.2-177.5-85.3172.6151.7171.2-8.3111.1
11G33.5Very low39.4Very low81 Ų81138.7 Ų138.784%0.83582%0.815SS**  trans-173.4125.3167.700000111.5
12D35.3Very low39.9Very low155 Ų155133.5 Ų133.583%0.82980%0.798SS**  trans-162.8162.8-169.1-176.757.3000107.3
13P53.8Low40.6Very low113 Ų113134.6 Ų134.673%0.73480%0.801SS**  cis-120.5-171.6-14.722.11.3000112.7
14G34.4Very low41.3Very low77 Ų77132.4 Ų132.479%0.79480%0.8SS**  trans142.9104.1147.500000119.4
15T39.6Very low42Very low141 Ų141128.6 Ų128.687%0.86579%0.785SS**  trans-65.3174.3166.527.60000115.4
16P50Low43Very low124 Ų124123.1 Ų123.181%0.80577%0.765SS**  cis-128.2164.4-5.936.5-20.6000115
17G36.6Very low44.4Very low73 Ų73129.5 Ų129.575%0.75377%0.774SS**  trans-147.7109.216500000111.2
18D46.5Very low45.6Very low147 Ų147131.7 Ų131.779%0.78677%0.769SS**  trans-71.7128.2173.118027.1000110.1
19S38.8Very low47.3Very low101 Ų101132 Ų13271%0.70676%0.76SS**  trans-157.190.4175.4-165.80000109.6Q21S19-Q21 VanDerWaalsContact C-N 3.26Å; S19-Q21 PolarHBondContact O-N 3.2Å
20L48.4Very low49.1Very low158 Ų158132.6 Ų132.683%0.82775%0.746SS**  trans-68.474.8179.2-70.1167.8000112.2
21Q48.5Very low51.2Low167 Ų167123 Ų12378%0.7872%0.718SS**PPolyproline II helixtrans-79.5125.2160-75.6-166.3-18.400109.9S19 Q23S19-Q21 VanDerWaalsContact C-N 3.26Å; S19-Q21 PolarHBondContact O-N 3.2Å; Q21-Q23 PolarHBondContact O-N 3.07Å
22P45.4Very low53.8Low117 Ų117122.3 Ų122.376%0.7670%0.695SS**PPolyproline II helixtrans-65.6125.5172.627.6-32.9000109T24P22-T24 PolarHBondContact O-N 3.44Å; P22-T24 VanDerWaalsContact O-N 3.16Å
23Q50.4Low56.3Low189 Ų189116.7 Ų116.788%0.88367%0.674SS**PPolyproline II helixtrans-55.9124.7177.1-72.2-165.2-3.400109.7Q21 P25Q21-Q23 PolarHBondContact O-N 3.07Å; Q23-P25 VanDerWaalsContact O-CD 3.28Å; Q23-P25 WeakPolarHBondContact O-CD 3.08Å
24T49.7Very low57.9Low128 Ų128114.1 Ų114.179%0.78565%0.653SS**PPolyproline II helixtrans-70.5119.1179.153.50000108.6P22 S26P22-T24 PolarHBondContact O-N 3.44Å; P22-T24 VanDerWaalsContact O-N 3.16Å; T24-S26 PolarHBondContact O-N 2.85Å; T24-S26 VanDerWaalsContact O-N 3.14Å
25P53.8Low60.5Low80 Ų80111.8 Ų111.852%0.51962%0.623SS.*PPolyproline II helixtrans-59.7119.9-175.219.1-32.5000110.6Q23 R27 K30Q23-P25 VanDerWaalsContact O-CD 3.28Å; Q23-P25 WeakPolarHBondContact O-CD 3.08Å; P25-R27 PolarHBondContact O-N 3.46Å; P25-K30 PolarHBondContact O-NZ 3.37Å
26S60.1Low63Low60 Ų60107.3 Ų107.342%0.4260%0.595SS.*PPolyproline II helixtrans-53.1133.6-159.5178.20000112.2T24 H28 E29T24-S26 PolarHBondContact O-N 2.85Å; T24-S26 VanDerWaalsContact O-N 3.14Å; S26-H28 PolarHBondContact O-N 3.43Å; S26-E29 PolarHBondContact N-OE2 3.36Å; S26-E29 WeakPolarHBondContact O-CB 3.43Å; S26-E29 PolarHBondContact O-N 3.29Å
27R62.6Low64.8Low233 Ų233105.7 Ų105.788%0.87958%0.583SS**G310 helixtrans-54.6-27.4-179.4-175.5175.4177.6-112.62.2112.4P25P25-R27 PolarHBondContact O-N 3.46Å
28H66Low67.2Low135 Ų135107.8 Ų107.863%0.62557%0.571SS**G310 helixtrans-66.2-39.2177.7-171.189.4000113.3S26 K30 S31S26-H28 PolarHBondContact O-N 3.43Å; H28-K30 PolarHBondContact O-N 2.96Å; H28-K30 VanDerWaalsContact O-N 3.09Å; H28-S31 WeakPolarHBondContact O-CB 3.41Å; H28-S31 PolarHBondContact O-N 3.45Å
29E66.6Low69.3Low118 Ų118100.8 Ų100.855%0.55153%0.534SS*.G310 helixtrans-63.8-18.7-178.2-62.8167-178.900113.4S26S26-E29 PolarHBondContact N-OE2 3.36Å; S26-E29 WeakPolarHBondContact O-CB 3.43Å; S26-E29 PolarHBondContact O-N 3.29Å
30K72.6Confident71.6Confident136 Ų13697.4 Ų97.459%0.59151%0.509SS*.G310 helixtrans-111.112.2179.8-61.2166-170.8156.60112.2P25 H28P25-K30 PolarHBondContact O-NZ 3.37Å; H28-K30 PolarHBondContact O-N 2.96Å; H28-K30 VanDerWaalsContact O-N 3.09Å
31S83.5Confident73.5Confident49 Ų4992.6 Ų92.634%0.34349%0.486SS..  trans-64.1139178.7-177.50000111H28 G33 L34 L35H28-S31 WeakPolarHBondContact O-CB 3.41Å; H28-S31 PolarHBondContact O-N 3.45Å; S31-G33 PolarHBondContact O-N 3.12Å; S31-G33 PolarHBondContact OG-N 3.24Å; S31-L34 PolarHBondContact O-N 3.18Å; S31-L35 PolarHBondContact O-N 3.24Å
32L87.1Confident75.3Confident67 Ų6786.5 Ų86.535%0.35146%0.459SS..Hα-helixtrans-57.7-37.6172.7-174.565.5000110.9L34 L35 T36 R67 D70 I71L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.82Å; L32-L35 CarbonylContact O-C 3.58Å; L32-L35 WeakPolarHBondContact O-CB 3.49Å; L32-L35 PolarHBondContact O-N 3.01Å; L32-L35 VanDerWaalsContact O-N 3.12Å; L32-T36 PolarHBondContact O-N 3.2Å; L32-T36 PolarHBondContact O-OG1 3.49Å; L32-T36 VanDerWaalsContact O-OG1 3.06Å; L32-R67 HydrophobicContact CD1-CB 4.4Å; L32-D70 HydrophobicContact CD1-CB 4.06Å; L32-D70 HydrophobicContact CD2-CB 3.99Å; L32-I71 HydrophobicContact CD1-CD1 4.26Å; L32-I71 HydrophobicContact CD1-CG1 3.85Å
33G87.7Confident77.3Confident38 Ų3881 Ų8139%0.39242%0.423SS..Hα-helixtrans-60.5-39.3178.500000113.6S31 L35 T36 T37S31-G33 PolarHBondContact O-N 3.12Å; S31-G33 PolarHBondContact OG-N 3.24Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.27Å; G33-T36 WeakPolarHBondContact O-CB 3.22Å; G33-T36 PolarHBondContact O-N 3.39Å; G33-T37 PolarHBondContact O-N 3.07Å; G33-T37 PolarHBondContact O-OG1 2.81Å; G33-T37 VanDerWaalsContact O-OG1 3.12Å
34L87.4Confident78.8Confident58 Ų5876.5 Ų76.530%0.30440%0.402SS..Hα-helixtrans-68.8-33.2176.8-177.461.9000111.8S31 L32 K38S31-L34 PolarHBondContact O-N 3.18Å; L32-L34 VanDerWaalsContact C-N 3.34Å; L32-L34 PolarHBondContact O-N 2.82Å; L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.3Å
35L89.4Confident80.3Confident29 Ų2977 Ų7715%0.15240%0.396CS..Hα-helixtrans-68.3-42.4170.1-63.3177.3000111S31 L32 G33 K38 F39 V62 R67 I71S31-L35 PolarHBondContact O-N 3.24Å; L32-L35 CarbonylContact O-C 3.58Å; L32-L35 WeakPolarHBondContact O-CB 3.49Å; L32-L35 PolarHBondContact O-N 3.01Å; L32-L35 VanDerWaalsContact O-N 3.12Å; G33-L35 VanDerWaalsContact C-N 3.32Å; G33-L35 PolarHBondContact O-N 3.27Å; L35-K38 PolarHBondContact O-N 3.17Å; L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.11Å; L35-V62 HydrophobicContact CD1-CG1 4.36Å; L35-V62 HydrophobicContact CD2-CG2 4.23Å; L35-R67 HydrophobicContact CD1-CB 4.13Å; L35-R67 HydrophobicContact CD1-CG 4.43Å; L35-I71 HydrophobicContact CB-CD1 3.92Å
36T91.1Very high81.6Confident46 Ų4674 Ų7428%0.28238%0.377SS..Hα-helixtrans-59.6-48176.2-55.30000111.7L32 G33 K38 F39 V40 I71L32-T36 PolarHBondContact O-N 3.2Å; L32-T36 PolarHBondContact O-OG1 3.49Å; L32-T36 VanDerWaalsContact O-OG1 3.06Å; G33-T36 WeakPolarHBondContact O-CB 3.22Å; G33-T36 PolarHBondContact O-N 3.39Å; T36-K38 PolarHBondContact O-N 2.91Å; T36-F39 PolarHBondContact O-N 2.87Å; T36-V40 HydrophobicContact CG2-CG2 4.31Å; T36-V40 WeakPolarHBondContact O-CB 3.48Å; T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 2.88Å; T36-I71 HydrophobicContact CG2-CG2 4.24Å
37T88.3Confident82.1Confident90 Ų9079.4 Ų79.455%0.55239%0.393SS*.Hα-helixtrans-56.5-52177.9-54.60000111G33 F39 V40 T41G33-T37 PolarHBondContact O-N 3.07Å; G33-T37 PolarHBondContact O-OG1 2.81Å; G33-T37 VanDerWaalsContact O-OG1 3.12Å; T37-F39 PolarHBondContact O-N 3.28Å; T37-V40 PolarHBondContact O-N 2.86Å; T37-T41 PolarHBondContact O-N 3.33Å; T37-T41 PolarHBondContact O-OG1 2.94Å; T37-T41 VanDerWaalsContact O-OG1 3.08Å
38K87.9Confident82.6Confident117 Ų11773.7 Ų73.751%0.50938%0.38SS..Hα-helixtrans-66.3-35179.7-67-177.4176.5-171.80113.1L34 L35 T36 T41 L42 L60L34-K38 WeakPolarHBondContact O-CG 3.44Å; L34-K38 PolarHBondContact O-N 3.3Å; L35-K38 PolarHBondContact O-N 3.17Å; T36-K38 PolarHBondContact O-N 2.91Å; K38-T41 PolarHBondContact O-N 2.86Å; K38-L42 WeakPolarHBondContact O-CG 3.4Å; K38-L42 PolarHBondContact O-N 3.2Å; K38-L60 HydrophobicContact CB-CD2 3.28Å; K38-L60 HydrophobicContact CD-CD2 4.26Å; K38-L60 HydrophobicContact CG-CD2 4.42Å
39F89.8Confident83.1Confident0 Ų067.3 Ų67.30%035%0.351CS..Hα-helixtrans-64.9-42.1175.3-175.9-87.6000111.3L35 T36 T37 L42 L43 L51 L53 A56 L60 I68 I71 T72 L75 I89L35-F39 WeakPolarHBondContact O-CB 3.5Å; L35-F39 PolarHBondContact O-N 3.11Å; T36-F39 PolarHBondContact O-N 2.87Å; T37-F39 PolarHBondContact O-N 3.28Å; F39-L42 PolarHBondContact O-N 3.2Å; F39-L43 HydrophobicContact CD1-CD2 4.47Å; F39-L43 HydrophobicContact CE1-CD2 4.05Å; F39-L43 VanDerWaalsContact O-CB 3.27Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 PolarHBondContact O-N 2.99Å; F39-L51 HydrophobicContact CD2-CD2 4.48Å; F39-L51 HydrophobicContact CE1-CD2 4.48Å; F39-L51 HydrophobicContact CE2-CD2 4.12Å; F39-L51 HydrophobicContact CZ-CD2 4.12Å; F39-L53 HydrophobicContact CE2-CD2 4.22Å; F39-L53 HydrophobicContact CZ-CD2 4.08Å; F39-A56 HydrophobicContact CE2-CB 4.36Å; F39-L60 HydrophobicContact CB-CD1 3.89Å; F39-L60 HydrophobicContact CD2-CD1 3.7Å; F39-L60 HydrophobicContact CG-CD1 4.29Å; F39-I68 HydrophobicContact CD2-CD1 4.17Å; F39-I68 HydrophobicContact CE2-CD1 4.27Å; F39-I68 HydrophobicContact CE2-CG2 4.02Å; F39-I71 HydrophobicContact CB-CD1 4.24Å; F39-I71 HydrophobicContact CB-CG2 4.41Å; F39-I71 HydrophobicContact CD1-CG2 3.61Å; F39-I71 HydrophobicContact CE1-CG2 3.97Å; F39-I71 HydrophobicContact CG-CD1 4.43Å; F39-I71 HydrophobicContact CG-CG2 4.01Å; F39-T72 HydrophobicContact CE1-CG2 4.47Å; F39-T72 HydrophobicContact CZ-CG2 3.84Å; F39-L75 HydrophobicContact CD1-CD1 4.27Å; F39-L75 HydrophobicContact CE1-CD1 4.1Å; F39-I89 HydrophobicContact CE1-CD1 3.83Å; F39-I89 HydrophobicContact CZ-CD1 3.57Å
40V88Confident84.1Confident31 Ų3163.7 Ų63.719%0.18834%0.337CS..Hα-helixtrans-67.3-39.1175.2171.50000111.3T36 T37 L43 Q44 L75T36-V40 HydrophobicContact CG2-CG2 4.31Å; T36-V40 WeakPolarHBondContact O-CB 3.48Å; T36-V40 WeakPolarHBondContact O-CG2 3.45Å; T36-V40 PolarHBondContact O-N 2.88Å; T37-V40 PolarHBondContact O-N 2.86Å; V40-L43 PolarHBondContact O-N 2.89Å; V40-Q44 HydrophobicContact CG1-CG 4.37Å; V40-Q44 WeakPolarHBondContact O-CB 3.42Å; V40-Q44 VanDerWaalsContact O-CG 3.32Å; V40-Q44 WeakPolarHBondContact O-CG 3.32Å; V40-Q44 PolarHBondContact O-N 3.31Å; V40-L75 HydrophobicContact CG2-CD1 4.49Å
41T87Confident84.8Confident57 Ų5758 Ų5835%0.3531%0.313SS..Hα-helixtrans-57.6-52.3171.6-56.10000111.3T37 K38 L43 Q44 E45T37-T41 PolarHBondContact O-N 3.33Å; T37-T41 PolarHBondContact O-OG1 2.94Å; T37-T41 VanDerWaalsContact O-OG1 3.08Å; K38-T41 PolarHBondContact O-N 2.86Å; T41-L43 PolarHBondContact O-N 3.11Å; T41-Q44 PolarHBondContact O-N 3.44Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; T41-E45 HydrophobicContact CG2-CG 4.36Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.45Å; T41-E45 WeakPolarHBondContact O-CB 3.43Å; T41-E45 WeakPolarHBondContact O-CG 3.24Å; T41-E45 PolarHBondContact O-N 2.83Å
42L88.1Confident85.1Confident39 Ų3958.8 Ų58.820%0.20431%0.313CS..Hα-helixtrans-60.6-30.8177.3-69172.9000113.1K38 F39 A46 L51 T59 L60K38-L42 WeakPolarHBondContact O-CG 3.4Å; K38-L42 PolarHBondContact O-N 3.2Å; F39-L42 PolarHBondContact O-N 3.2Å; L42-A46 VanDerWaalsContact O-CB 3.3Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.87Å; L42-L51 HydrophobicContact CB-CD1 4.31Å; L42-T59 HydrophobicContact CD1-CG2 3.9Å; L42-T59 HydrophobicContact CD2-CG2 4.08Å; L42-L60 HydrophobicContact CD1-CD1 4.31Å; L42-L60 HydrophobicContact CD1-CD2 3.92Å; L42-L60 HydrophobicContact CD1-CG 3.83Å
43L86.4Confident85.3Confident2 Ų256.9 Ų56.91%0.0130%0.303CS..Hα-helixtrans-78.7-23.7178.2-172.752.9000113.2F39 V40 T41 L51 I81 I89 W91F39-L43 HydrophobicContact CD1-CD2 4.47Å; F39-L43 HydrophobicContact CE1-CD2 4.05Å; F39-L43 VanDerWaalsContact O-CB 3.27Å; F39-L43 WeakPolarHBondContact O-CB 3.39Å; F39-L43 PolarHBondContact O-N 2.99Å; V40-L43 PolarHBondContact O-N 2.89Å; T41-L43 PolarHBondContact O-N 3.11Å; L43-L51 HydrophobicContact CB-CD2 4.02Å; L43-L51 HydrophobicContact CD1-CB 3.57Å; L43-L51 HydrophobicContact CD1-CD2 4.14Å; L43-L51 HydrophobicContact CD1-CG 4.49Å; L43-I81 HydrophobicContact CD2-CG2 3.8Å; L43-I89 HydrophobicContact CD1-CD1 4.2Å; L43-I89 HydrophobicContact CD1-CG1 4.43Å; L43-I89 HydrophobicContact CD2-CD1 4Å; L43-W91 HydrophobicContact CD1-CB 4.09Å; L43-W91 HydrophobicContact CD2-CD2 4.43Å; L43-W91 HydrophobicContact CD2-CE3 3.49Å; L43-W91 VanDerWaalsContact CD2-CE3 3.49Å; L43-W91 HydrophobicContact CD2-CZ3 4.05Å; L43-W91 HydrophobicContact CG-CB 4.14Å; L43-W91 HydrophobicContact CG-CD2 4.35Å; L43-W91 HydrophobicContact CG-CE3 3.84Å
44Q81.3Confident85.2Confident94 Ų9460.2 Ų60.244%0.43931%0.307SS..Hα-helixtrans-86.9-30.6172.8-71.3173.9-2.100112.5V40 T41 A46V40-Q44 HydrophobicContact CG1-CG 4.37Å; V40-Q44 WeakPolarHBondContact O-CB 3.42Å; V40-Q44 VanDerWaalsContact O-CG 3.32Å; V40-Q44 WeakPolarHBondContact O-CG 3.32Å; V40-Q44 PolarHBondContact O-N 3.31Å; T41-Q44 PolarHBondContact O-N 3.44Å; T41-Q44 VanDerWaalsContact O-N 3.09Å; Q44-A46 VanDerWaalsContact C-N 3.34Å
45E81.1Confident85.2Confident138 Ų13859.9 Ų59.965%0.64531%0.312SS*.Hα-helixtrans-78.2-19172.2-69.5173.8172.500112.7T41 K47T41-E45 HydrophobicContact CG2-CG 4.36Å; T41-E45 WeakPolarHBondContact CG2-OE1 3.45Å; T41-E45 WeakPolarHBondContact O-CB 3.43Å; T41-E45 WeakPolarHBondContact O-CG 3.24Å; T41-E45 PolarHBondContact O-N 2.83Å; E45-K47 PolarHBondContact O-N 2.69Å
46A81.4Confident85.2Confident16 Ų1658.5 Ų58.513%0.13231%0.305CS..SBendtrans-66.6125.2176.500000111.8L42 Q44 G49 L51L42-A46 VanDerWaalsContact O-CB 3.3Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.87Å; Q44-A46 VanDerWaalsContact C-N 3.34Å; A46-G49 PolarHBondContact O-N 3.49Å; A46-L51 HydrophobicContact CB-CB 4.47Å; A46-L51 HydrophobicContact CB-CD1 4.43Å
47K71.1Confident85Confident175 Ų17556.6 Ų56.676%0.76129%0.294SS*.G310 helixtrans-58.6144.9172.9-66.7-172.3177-1740110.9E45 G49 V50E45-K47 PolarHBondContact O-N 2.69Å; K47-G49 PolarHBondContact O-N 2.99Å; K47-V50 PolarHBondContact O-N 3.44Å
48D72.6Confident84.9Confident113 Ų11357.4 Ų57.460%0.60430%0.295SS*.G310 helixtrans58.514.5179.3-36.3-35000113.3V50D48-V50 HydrophobicContact CB-CG2 4.32Å; D48-V50 PolarHBondContact O-N 3.06Å
49G77.5Confident84.8Confident1 Ų156.6 Ų56.61%0.0130%0.3CS..G310 helixtrans65.714.4-17200000114.9A46 K47 Q90 W91A46-G49 PolarHBondContact O-N 3.49Å; K47-G49 PolarHBondContact O-N 2.99Å; G49-Q90 CarbonylContact O-C 3.55Å; G49-Q90 WeakPolarHBondContact O-CA 3.22Å; G49-W91 PolarHBondContact O-N 2.98Å
50V86.2Confident84.4Confident42 Ų4257.5 Ų57.526%0.25530%0.304SS..EExtended strand (participates in β ladder)trans-102.4115.7-172.6-176.80000111.8K47 D48 K84 S88 I89 Q90K47-V50 PolarHBondContact O-N 3.44Å; D48-V50 HydrophobicContact CB-CG2 4.32Å; D48-V50 PolarHBondContact O-N 3.06Å; V50-K84 HydrophobicContact CG1-CD 4.1Å; V50-K84 HydrophobicContact CG2-CD 3.99Å; V50-S88 WeakPolarHBondContact CG1-OG 3.26Å; V50-I89 WeakPolarHBondContact CA-O 3.39Å; V50-Q90 HydrophobicContact CG2-CB 4.35Å; V50-Q90 HydrophobicContact CG2-CG 4.1Å
51L88.6Confident83.9Confident16 Ų1659.7 Ų59.78%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-110.8131.7-180-174.165.3000111.9F39 L42 L43 A46 A56 S88 I89F39-L51 HydrophobicContact CD2-CD2 4.48Å; F39-L51 HydrophobicContact CE1-CD2 4.48Å; F39-L51 HydrophobicContact CE2-CD2 4.12Å; F39-L51 HydrophobicContact CZ-CD2 4.12Å; L42-L51 HydrophobicContact CB-CD1 4.31Å; L43-L51 HydrophobicContact CB-CD2 4.02Å; L43-L51 HydrophobicContact CD1-CB 3.57Å; L43-L51 HydrophobicContact CD1-CD2 4.14Å; L43-L51 HydrophobicContact CD1-CG 4.49Å; A46-L51 HydrophobicContact CB-CB 4.47Å; A46-L51 HydrophobicContact CB-CD1 4.43Å; L51-A56 HydrophobicContact CD1-CB 4.18Å; L51-A56 HydrophobicContact CD2-CB 3.91Å; L51-A56 HydrophobicContact CG-CB 4.04Å; L51-S88 WeakPolarHBondContact O-CA 3.3Å; L51-I89 HydrophobicContact CB-CG1 4.13Å; L51-I89 PolarHBondContact N-O 3.17Å; L51-I89 PolarHBondContact O-N 2.89Å; L51-I89 VanDerWaalsContact O-N 3.07Å
52D90.3Very high83.3Confident65 Ų6558 Ų5835%0.34832%0.315SS..EExtended strand (participates in β ladder)trans-81121.3166.6170.133.9000110.6K54 A55 A56 N87D52-K54 PolarHBondContact O-N 2.86Å; D52-K54 PolarHBondContact OD1-N 3.39Å; D52-K54 WeakPolarHBondContact OD2-CB 3.38Å; D52-A55 HydrophobicContact CB-CB 4.19Å; D52-A55 PolarHBondContact O-N 3.18Å; D52-A55 WeakPolarHBondContact OD2-CB 3.4Å; D52-A55 PolarHBondContact OD2-N 3.26Å; D52-A56 VanDerWaalsContact O-CB 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.31Å; D52-A56 PolarHBondContact O-N 3.28Å; D52-N87 WeakPolarHBondContact CA-O 3.41Å; D52-N87 VanDerWaalsContact OD1-O 3.13Å
53L89.6Confident82.3Confident27 Ų2768.2 Ų68.214%0.14135%0.351CS..Hα-helixtrans-65.2-21.5178.9-60.9179000112.8F39 A57 I68 T72 N87 I89F39-L53 HydrophobicContact CE2-CD2 4.22Å; F39-L53 HydrophobicContact CZ-CD2 4.08Å; L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 2.89Å; L53-A57 VanDerWaalsContact O-N 3.13Å; L53-I68 HydrophobicContact CD2-CG2 3.99Å; L53-T72 HydrophobicContact CD2-CG2 4.01Å; L53-N87 WeakPolarHBondContact CB-O 3.42Å; L53-N87 WeakPolarHBondContact CG-O 3.35Å; L53-N87 PolarHBondContact N-O 2.89Å; L53-I89 HydrophobicContact CD1-CG2 4.22Å; L53-I89 HydrophobicContact CD2-CD1 4.08Å; L53-I89 HydrophobicContact CD2-CG1 3.98Å; L53-I89 HydrophobicContact CD2-CG2 4.07Å; L53-I89 HydrophobicContact CG-CG2 4.37Å
54K87.2Confident81.8Confident109 Ų10973.9 Ų73.947%0.47438%0.378SS..Hα-helixtrans-75.1-59.2172.8-62.7174.8176.7176.50110.5D52 A56 A57 D58 N87D52-K54 PolarHBondContact O-N 2.86Å; D52-K54 PolarHBondContact OD1-N 3.39Å; D52-K54 WeakPolarHBondContact OD2-CB 3.38Å; K54-A56 PolarHBondContact O-N 3.14Å; K54-A57 PolarHBondContact O-N 3.33Å; K54-D58 PolarHBondContact O-N 2.87Å; K54-N87 WeakPolarHBondContact CE-OD1 3.21Å
55A86.8Confident81.7Confident50 Ų5075.2 Ų75.241%0.41338%0.382SS..Hα-helixtrans-52.5-40.8176.200000112.2D52 T59D52-A55 HydrophobicContact CB-CB 4.19Å; D52-A55 PolarHBondContact O-N 3.18Å; D52-A55 WeakPolarHBondContact OD2-CB 3.4Å; D52-A55 PolarHBondContact OD2-N 3.26Å; A55-T59 VanDerWaalsContact O-CB 3.28Å; A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 3.22Å; A55-T59 PolarHBondContact O-OG1 3.02Å
56A88.3Confident82Confident1 Ų174.6 Ų74.61%0.00837%0.374CS..Hα-helixtrans-64.5-46.1174.400000113F39 L51 D52 K54 D58 T59 L60F39-A56 HydrophobicContact CE2-CB 4.36Å; L51-A56 HydrophobicContact CD1-CB 4.18Å; L51-A56 HydrophobicContact CD2-CB 3.91Å; L51-A56 HydrophobicContact CG-CB 4.04Å; D52-A56 VanDerWaalsContact O-CB 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.31Å; D52-A56 PolarHBondContact O-N 3.28Å; K54-A56 PolarHBondContact O-N 3.14Å; A56-D58 VanDerWaalsContact C-N 3.3Å; A56-D58 PolarHBondContact O-N 3.21Å; A56-T59 PolarHBondContact O-N 3.23Å; A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 WeakPolarHBondContact O-CD1 3.39Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 3.27Å
57A87.4Confident82.4Confident5 Ų577.9 Ų77.94%0.04138%0.383CS..Hα-helixtrans-62.8-36.8179.500000113L53 K54 A61 V62 I68L53-A57 WeakPolarHBondContact O-CB 3.38Å; L53-A57 PolarHBondContact O-N 2.89Å; L53-A57 VanDerWaalsContact O-N 3.13Å; K54-A57 PolarHBondContact O-N 3.33Å; A57-A61 PolarHBondContact O-N 3.09Å; A57-V62 PolarHBondContact O-N 2.8Å; A57-V62 VanDerWaalsContact O-N 3.11Å; A57-I68 HydrophobicContact CB-CD1 4.41Å; A57-I68 HydrophobicContact CB-CG1 4.11Å
58D86.6Confident83.3Confident108 Ų10869.8 Ų69.858%0.57835%0.348SS*.Hα-helixtrans-74.2-44.9178.8-60.6-28.2000110.6K54 A56 L60 A61K54-D58 PolarHBondContact O-N 2.87Å; A56-D58 VanDerWaalsContact C-N 3.3Å; A56-D58 PolarHBondContact O-N 3.21Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 3.45Å; D58-A61 PolarHBondContact O-N 2.86Å
59T84.7Confident84.2Confident99 Ų9970.3 Ų70.361%0.60734%0.342SS*.Hα-helixtrans-63.3-36.4176.2-55.60000112.8L42 A55 A56 A61L42-T59 HydrophobicContact CD1-CG2 3.9Å; L42-T59 HydrophobicContact CD2-CG2 4.08Å; A55-T59 VanDerWaalsContact O-CB 3.28Å; A55-T59 WeakPolarHBondContact O-CB 3.23Å; A55-T59 PolarHBondContact O-N 3.22Å; A55-T59 PolarHBondContact O-OG1 3.02Å; A56-T59 PolarHBondContact O-N 3.23Å; T59-A61 PolarHBondContact O-N 3.32Å
60L82.5Confident84.9Confident19 Ų1971.8 Ų71.810%0.09935%0.35CS..THydrogen-bonded Turntrans-80.62.4175.9-66169.8000113.2K38 F39 L42 A56 D58 V62 I68K38-L60 HydrophobicContact CB-CD2 3.28Å; K38-L60 HydrophobicContact CD-CD2 4.26Å; K38-L60 HydrophobicContact CG-CD2 4.42Å; F39-L60 HydrophobicContact CB-CD1 3.89Å; F39-L60 HydrophobicContact CD2-CD1 3.7Å; F39-L60 HydrophobicContact CG-CD1 4.29Å; L42-L60 HydrophobicContact CD1-CD1 4.31Å; L42-L60 HydrophobicContact CD1-CD2 3.92Å; L42-L60 HydrophobicContact CD1-CG 3.83Å; A56-L60 WeakPolarHBondContact O-CB 3.5Å; A56-L60 WeakPolarHBondContact O-CD1 3.39Å; A56-L60 WeakPolarHBondContact O-CG 3.43Å; A56-L60 PolarHBondContact O-N 3.27Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-L60 PolarHBondContact O-N 3.45Å; L60-V62 HydrophobicContact CB-CG2 3.4Å; L60-V62 VanDerWaalsContact CB-CG2 3.4Å; L60-V62 WeakPolarHBondContact O-CG2 3.35Å; L60-V62 PolarHBondContact O-N 3.25Å; L60-V62 VanDerWaalsContact O-N 3.15Å; L60-I68 HydrophobicContact CD1-CD1 4.07Å
61A77.6Confident85.1Confident78 Ų7870 Ų7065%0.64534%0.339SS*.THydrogen-bonded Turntrans51.234.2179.300000114.2A57 D58 T59 R63A57-A61 PolarHBondContact O-N 3.09Å; D58-A61 PolarHBondContact O-N 2.86Å; T59-A61 PolarHBondContact O-N 3.32Å; A61-R63 PolarHBondContact O-N 2.89Å
62V73.1Confident85.3Confident20 Ų2069.6 Ų69.612%0.12134%0.337CS..  trans-7996.2-166.1-166.20000111.1L35 A57 L60 Q64 R67 I68L35-V62 HydrophobicContact CD1-CG1 4.36Å; L35-V62 HydrophobicContact CD2-CG2 4.23Å; A57-V62 PolarHBondContact O-N 2.8Å; A57-V62 VanDerWaalsContact O-N 3.11Å; L60-V62 HydrophobicContact CB-CG2 3.4Å; L60-V62 VanDerWaalsContact CB-CG2 3.4Å; L60-V62 WeakPolarHBondContact O-CG2 3.35Å; L60-V62 PolarHBondContact O-N 3.25Å; L60-V62 VanDerWaalsContact O-N 3.15Å; V62-Q64 VanDerWaalsContact CG1-O 3.28Å; V62-Q64 WeakPolarHBondContact CG1-O 3.33Å; V62-Q64 PolarHBondContact O-N 2.9Å; V62-R67 HydrophobicContact CG1-CB 3.9Å; V62-R67 HydrophobicContact CG1-CG 4.27Å; V62-I68 HydrophobicContact CG2-CD1 4.07Å
63R67.2Low85.5Confident255 Ų25571 Ų7196%0.96235%0.345SS*.SBendtrans-53.8-13.2176-65.4-171.3-178.9-169.30.4115.1A61A61-R63 PolarHBondContact O-N 2.89Å
64Q76.4Confident85.6Confident120 Ų12074 Ų7456%0.56136%0.364SS*.  trans-134.399.2177.6-68.1-179.6-8.500110.8V62 R66 R67V62-Q64 VanDerWaalsContact CG1-O 3.28Å; V62-Q64 WeakPolarHBondContact CG1-O 3.33Å; V62-Q64 PolarHBondContact O-N 2.9Å; Q64-R66 PolarHBondContact O-N 3.41Å; Q64-R67 HydrophobicContact CB-CG 4.25Å; Q64-R67 PolarHBondContact O-N 3.5Å
65K80.2Confident85.8Confident122 Ų12269.6 Ų69.653%0.5335%0.345SS..THydrogen-bonded Turntrans-54.6-22.5-179.3-63.3-163.4174.7-162.60114.2R67 I68K65-R67 PolarHBondContact O-N 2.91Å; K65-I68 PolarHBondContact O-N 2.91Å
66R87.8Confident86Confident125 Ų12571.3 Ų71.347%0.47235%0.345SS..Hα-helixtrans-53.5-32.2172.1-17961.5-170.476.79.2113.7Q64 I68 Y69 D70Q64-R66 PolarHBondContact O-N 3.41Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 2.83Å; R66-Y69 PolarHBondContact O-N 2.87Å; R66-D70 IonicContact CZ-OD1 3.4Å; R66-D70 IonicContact CZ-OD2 2.64Å; R66-D70 IonicContact NH1-OD1 2.67Å; R66-D70 PolarHBondContact NH1-OD1 3.25Å; R66-D70 IonicContact NH1-OD2 3.32Å; R66-D70 PolarHBondContact NH1-OD2 3.49Å; R66-D70 IonicContact NH2-OD1 3.28Å; R66-D70 PolarHBondContact NH2-OD1 3.42Å; R66-D70 PolarHBondContact O-N 3.33Å
67R89.1Confident86Confident85 Ų8574.6 Ų74.632%0.32138%0.379SS..Hα-helixtrans-68.1-29.7-178.3-59.3-74.177.3111.6-11.7113.2L32 L35 V62 Q64 K65 Y69 D70 I71L32-R67 HydrophobicContact CD1-CB 4.4Å; L35-R67 HydrophobicContact CD1-CB 4.13Å; L35-R67 HydrophobicContact CD1-CG 4.43Å; V62-R67 HydrophobicContact CG1-CB 3.9Å; V62-R67 HydrophobicContact CG1-CG 4.27Å; Q64-R67 HydrophobicContact CB-CG 4.25Å; Q64-R67 PolarHBondContact O-N 3.5Å; K65-R67 PolarHBondContact O-N 2.91Å; R67-Y69 VanDerWaalsContact C-N 3.29Å; R67-Y69 PolarHBondContact O-N 2.9Å; R67-D70 IonicContact CZ-OD2 3.15Å; R67-D70 IonicContact NE-OD2 2.68Å; R67-D70 PolarHBondContact NE-OD2 2.83Å; R67-D70 IonicContact NH2-OD1 3.99Å; R67-D70 IonicContact NH2-OD2 2.69Å; R67-D70 PolarHBondContact NH2-OD2 3.05Å; R67-D70 PolarHBondContact O-N 2.67Å; R67-I71 WeakPolarHBondContact O-CG1 3.38Å; R67-I71 PolarHBondContact O-N 3.38Å
68I89.9Confident86.1Confident6 Ų679.8 Ų79.83%0.03140%0.404CS..Hα-helixtrans-61.3-42.7173.2-59.8-61.3000109.9F39 L53 A57 L60 V62 K65 R66 D70 I71 T72F39-I68 HydrophobicContact CD2-CD1 4.17Å; F39-I68 HydrophobicContact CE2-CD1 4.27Å; F39-I68 HydrophobicContact CE2-CG2 4.02Å; L53-I68 HydrophobicContact CD2-CG2 3.99Å; A57-I68 HydrophobicContact CB-CD1 4.41Å; A57-I68 HydrophobicContact CB-CG1 4.11Å; L60-I68 HydrophobicContact CD1-CD1 4.07Å; V62-I68 HydrophobicContact CG2-CD1 4.07Å; K65-I68 PolarHBondContact O-N 2.91Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 2.83Å; I68-D70 VanDerWaalsContact C-N 3.31Å; I68-D70 PolarHBondContact O-N 2.83Å; I68-I71 PolarHBondContact O-N 3.48Å; I68-T72 HydrophobicContact CG2-CG2 4.2Å; I68-T72 PolarHBondContact O-N 3.06Å; I68-T72 PolarHBondContact O-OG1 2.84Å
69Y91Very high86.1Confident123 Ų12376.5 Ų76.548%0.48240%0.397SS..Hα-helixtrans-67.5-26.4177.2-50-48.8000113.7R66 R67 I71 T72 N73R66-Y69 PolarHBondContact O-N 2.87Å; R67-Y69 VanDerWaalsContact C-N 3.29Å; R67-Y69 PolarHBondContact O-N 2.9Å; Y69-I71 VanDerWaalsContact C-N 3.28Å; Y69-I71 PolarHBondContact O-N 2.84Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.34Å; Y69-N73 WeakPolarHBondContact O-CB 3.27Å; Y69-N73 PolarHBondContact O-N 2.69Å; Y69-N73 PolarHBondContact O-OD1 3.16Å
70D91.8Very high86.2Confident32 Ų3274.7 Ų74.717%0.17138%0.383CS..Hα-helixtrans-67-32.5171.1-64.6-51.3000111.8L32 R66 R67 I68 V74L32-D70 HydrophobicContact CD1-CB 4.06Å; L32-D70 HydrophobicContact CD2-CB 3.99Å; R66-D70 IonicContact CZ-OD1 3.4Å; R66-D70 IonicContact CZ-OD2 2.64Å; R66-D70 IonicContact NH1-OD1 2.67Å; R66-D70 PolarHBondContact NH1-OD1 3.25Å; R66-D70 IonicContact NH1-OD2 3.32Å; R66-D70 PolarHBondContact NH1-OD2 3.49Å; R66-D70 IonicContact NH2-OD1 3.28Å; R66-D70 PolarHBondContact NH2-OD1 3.42Å; R66-D70 PolarHBondContact O-N 3.33Å; R67-D70 IonicContact CZ-OD2 3.15Å; R67-D70 IonicContact NE-OD2 2.68Å; R67-D70 PolarHBondContact NE-OD2 2.83Å; R67-D70 IonicContact NH2-OD1 3.99Å; R67-D70 IonicContact NH2-OD2 2.69Å; R67-D70 PolarHBondContact NH2-OD2 3.05Å; R67-D70 PolarHBondContact O-N 2.67Å; I68-D70 VanDerWaalsContact C-N 3.31Å; I68-D70 PolarHBondContact O-N 2.83Å; D70-V74 WeakPolarHBondContact O-CG2 2.87Å
71I92.1Very high86.5Confident4 Ų474 Ų742%0.02138%0.379CS..Hα-helixtrans-79.9-48.5178.8-56.3170.3000110.1L32 L35 T36 F39 R67 I68 Y69 V74 L75L32-I71 HydrophobicContact CD1-CD1 4.26Å; L32-I71 HydrophobicContact CD1-CG1 3.85Å; L35-I71 HydrophobicContact CB-CD1 3.92Å; T36-I71 HydrophobicContact CG2-CG2 4.24Å; F39-I71 HydrophobicContact CB-CD1 4.24Å; F39-I71 HydrophobicContact CB-CG2 4.41Å; F39-I71 HydrophobicContact CD1-CG2 3.61Å; F39-I71 HydrophobicContact CE1-CG2 3.97Å; F39-I71 HydrophobicContact CG-CD1 4.43Å; F39-I71 HydrophobicContact CG-CG2 4.01Å; R67-I71 WeakPolarHBondContact O-CG1 3.38Å; R67-I71 PolarHBondContact O-N 3.38Å; I68-I71 PolarHBondContact O-N 3.48Å; Y69-I71 VanDerWaalsContact C-N 3.28Å; Y69-I71 PolarHBondContact O-N 2.84Å; I71-V74 PolarHBondContact O-N 3.22Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.97Å; I71-L75 VanDerWaalsContact O-N 3.08Å
72T92.1Very high87Confident8 Ų873.8 Ų73.85%0.04937%0.365CS..Hα-helixtrans-64.6-44.3-178.759.10000111.8F39 L53 I68 Y69 V74 L75 E76 I81 I89F39-T72 HydrophobicContact CE1-CG2 4.47Å; F39-T72 HydrophobicContact CZ-CG2 3.84Å; L53-T72 HydrophobicContact CD2-CG2 4.01Å; I68-T72 HydrophobicContact CG2-CG2 4.2Å; I68-T72 PolarHBondContact O-N 3.06Å; I68-T72 PolarHBondContact O-OG1 2.84Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.34Å; T72-V74 PolarHBondContact O-N 3.25Å; T72-L75 PolarHBondContact O-N 3.36Å; T72-E76 WeakPolarHBondContact O-CB 3.24Å; T72-E76 PolarHBondContact O-N 3.41Å; T72-I81 HydrophobicContact CG2-CD1 4.17Å; T72-I89 HydrophobicContact CG2-CD1 4.34Å
73N93.4Very high87.8Confident95 Ų9579.6 Ų79.651%0.50839%0.388SS..Hα-helixtrans-63.3-30.5-177.7-6720.2000112.4Y69 G77Y69-N73 WeakPolarHBondContact O-CB 3.27Å; Y69-N73 PolarHBondContact O-N 2.69Å; Y69-N73 PolarHBondContact O-OD1 3.16Å; N73-G77 PolarHBondContact O-N 3.08Å
74V93.2Very high88.7Confident89 Ų8973.2 Ų73.254%0.53937%0.368SS..Hα-helixtrans-75.3-46.1174.9172.90000110.9D70 I71 T72 E76 G77 I78D70-V74 WeakPolarHBondContact O-CG2 2.87Å; I71-V74 PolarHBondContact O-N 3.22Å; T72-V74 PolarHBondContact O-N 3.25Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-E76 PolarHBondContact O-N 3.44Å; V74-G77 PolarHBondContact O-N 3.42Å; V74-I78 HydrophobicContact CG1-CD1 3.81Å; V74-I78 WeakPolarHBondContact O-CD1 3.39Å; V74-I78 VanDerWaalsContact O-CG1 3.24Å; V74-I78 WeakPolarHBondContact O-CG1 3.41Å; V74-I78 PolarHBondContact O-N 2.93Å
75L90.3Very high89.4Confident17 Ų1770.3 Ų70.39%0.08936%0.361CS..Hα-helixtrans-66.5-34.6178.2-67.1174.8000112.8F39 V40 I71 T72 G79 L80 I81F39-L75 HydrophobicContact CD1-CD1 4.27Å; F39-L75 HydrophobicContact CE1-CD1 4.1Å; V40-L75 HydrophobicContact CG2-CD1 4.49Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.97Å; I71-L75 VanDerWaalsContact O-N 3.08Å; T72-L75 PolarHBondContact O-N 3.36Å; L75-G79 PolarHBondContact O-N 2.86Å; L75-G79 VanDerWaalsContact O-N 3.14Å; L75-L80 HydrophobicContact CD2-CD1 4.12Å; L75-L80 PolarHBondContact O-N 3.49Å; L75-I81 HydrophobicContact CB-CD1 3.79Å; L75-I81 HydrophobicContact CB-CG1 3.76Å; L75-I81 HydrophobicContact CB-CG2 4.14Å; L75-I81 HydrophobicContact CD1-CG2 4.43Å; L75-I81 PolarHBondContact O-N 3.08Å
76E91.3Very high89.6Confident87 Ų8773.3 Ų73.341%0.40737%0.374SS..Hα-helixtrans-71.5-40.4174.9-172.8169.9-159.500110.4T72 V74 I78 G79 I81T72-E76 WeakPolarHBondContact O-CB 3.24Å; T72-E76 PolarHBondContact O-N 3.41Å; V74-E76 VanDerWaalsContact C-N 3.34Å; V74-E76 PolarHBondContact O-N 3.44Å; E76-I78 VanDerWaalsContact C-N 3.28Å; E76-I78 PolarHBondContact O-N 3.42Å; E76-G79 PolarHBondContact O-N 3.43Å; E76-I81 HydrophobicContact CB-CD1 4.39Å; E76-I81 HydrophobicContact CB-CG1 4.03Å
77G89.5Confident89.6Confident70 Ų7070.4 Ų70.472%0.72237%0.367SS*.Hα-helixtrans-67.3-21.7173.600000114.9N73 V74N73-G77 PolarHBondContact O-N 3.08Å; V74-G77 PolarHBondContact O-N 3.42Å
78I88.5Confident89.6Confident113 Ų11367.2 Ų67.258%0.57936%0.358SS*.THydrogen-bonded Turntrans-91.7-8.2170.3-57.2161000110.9V74 E76 L80V74-I78 HydrophobicContact CG1-CD1 3.81Å; V74-I78 WeakPolarHBondContact O-CD1 3.39Å; V74-I78 VanDerWaalsContact O-CG1 3.24Å; V74-I78 WeakPolarHBondContact O-CG1 3.41Å; V74-I78 PolarHBondContact O-N 2.93Å; E76-I78 VanDerWaalsContact C-N 3.28Å; E76-I78 PolarHBondContact O-N 3.42Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 HydrophobicContact CB-CG 4.36Å; I78-L80 HydrophobicContact CG2-CD1 4.04Å; I78-L80 HydrophobicContact CG2-CG 3.92Å; I78-L80 PolarHBondContact O-N 3.4Å
79G86.3Confident89.6Confident40 Ų4067.2 Ų67.241%0.41236%0.358SS..THydrogen-bonded Turntrans76.87.2-178.900000115.5L75 E76 I81L75-G79 PolarHBondContact O-N 2.86Å; L75-G79 VanDerWaalsContact O-N 3.14Å; E76-G79 PolarHBondContact O-N 3.43Å; G79-I81 VanDerWaalsContact C-N 3.27Å; G79-I81 PolarHBondContact O-N 2.94Å
80L86.9Confident89.5Confident61 Ų6162.8 Ų62.832%0.31934%0.342SS..SBendtrans-73.5-17.4179.9-65.6177.3000113.4L75 I78 W91 K92 G93L75-L80 HydrophobicContact CD2-CD1 4.12Å; L75-L80 PolarHBondContact O-N 3.49Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 HydrophobicContact CB-CG 4.36Å; I78-L80 HydrophobicContact CG2-CD1 4.04Å; I78-L80 HydrophobicContact CG2-CG 3.92Å; I78-L80 PolarHBondContact O-N 3.4Å; L80-W91 HydrophobicContact CB-CH2 4.43Å; L80-W91 HydrophobicContact CB-CZ3 4.26Å; L80-K92 PolarHBondContact O-N 3.21Å; L80-G93 PolarHBondContact O-N 3.21Å
81I88.2Confident89.3Confident5 Ų562.6 Ų62.63%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-132.9161.7172.366.8172.1000111.1L43 T72 L75 E76 G79 I89 Q90 W91L43-I81 HydrophobicContact CD2-CG2 3.8Å; T72-I81 HydrophobicContact CG2-CD1 4.17Å; L75-I81 HydrophobicContact CB-CD1 3.79Å; L75-I81 HydrophobicContact CB-CG1 3.76Å; L75-I81 HydrophobicContact CB-CG2 4.14Å; L75-I81 HydrophobicContact CD1-CG2 4.43Å; L75-I81 PolarHBondContact O-N 3.08Å; E76-I81 HydrophobicContact CB-CD1 4.39Å; E76-I81 HydrophobicContact CB-CG1 4.03Å; G79-I81 VanDerWaalsContact C-N 3.27Å; G79-I81 PolarHBondContact O-N 2.94Å; I81-I89 HydrophobicContact CD1-CB 4.41Å; I81-I89 HydrophobicContact CD1-CD1 3.83Å; I81-I89 HydrophobicContact CD1-CG2 4.29Å; I81-I89 HydrophobicContact CG2-CD1 4.44Å; I81-Q90 CarbonylContact C-O 3.32Å; I81-Q90 WeakPolarHBondContact CA-O 3.35Å; I81-Q90 WeakPolarHBondContact CB-O 3.32Å; I81-W91 HydrophobicContact CG2-CE3 3.75Å; I81-W91 HydrophobicContact CG2-CZ3 4.29Å
82E89.3Confident88.6Confident73 Ų7368 Ų6834%0.34136%0.363SS..EExtended strand (participates in β ladder)trans-130.7162.6163.274.1-174.1153.800112.3K84 I89 Q90 K92E82-K84 PolarHBondContact O-N 3.37Å; E82-I89 CarbonylContact O-C 3.56Å; E82-I89 VanDerWaalsContact O-CA 3.24Å; E82-I89 WeakPolarHBondContact O-CA 3.34Å; E82-I89 WeakPolarHBondContact O-CB 3.43Å; E82-Q90 HydrophobicContact CG-CB 4.24Å; E82-Q90 PolarHBondContact N-O 3.37Å; E82-Q90 PolarHBondContact O-N 2.91Å; E82-K92 HydrophobicContact CB-CD 4.16Å; E82-K92 HydrophobicContact CG-CD 4.47Å; E82-K92 WeakPolarHBondContact OE2-CE 3.38Å; E82-K92 IonicContact OE2-NZ 2.76Å; E82-K92 PolarHBondContact OE2-NZ 3.26Å
83K90.4Very high87.4Confident141 Ų14168.4 Ų68.461%0.61337%0.368SS*.EExtended strand (participates in β ladder)trans-92.291.2-178.2-176.1-177.7176-176.80111.6
84K85.9Confident85.8Confident121 Ų12170.2 Ų70.253%0.52638%0.382SS..EExtended strand (participates in β ladder)trans-66.3-33.9178.2-164.2170.8-164.3156.60113.4V50 E82 S88 Q90V50-K84 HydrophobicContact CG1-CD 4.1Å; V50-K84 HydrophobicContact CG2-CD 3.99Å; E82-K84 PolarHBondContact O-N 3.37Å; K84-S88 PolarHBondContact N-O 3.39Å; K84-Q90 HydrophobicContact CB-CB 4.39Å; K84-Q90 HydrophobicContact CD-CB 4.35Å
85S89.8Confident84Confident59 Ų5966.7 Ų66.741%0.41336%0.363SS..EExtended strand (participates in β ladder)trans-159.6-178.9171.788.10000112.6N87 S88S85-N87 PolarHBondContact O-N 3.35Å; S85-N87 VanDerWaalsContact O-N 3.09Å; S85-N87 PolarHBondContact OG-N 2.64Å; S85-S88 PolarHBondContact N-O 2.88Å; S85-S88 PolarHBondContact O-N 3.38Å; S85-S88 VanDerWaalsContact O-O 3.07Å; S85-S88 VanDerWaalsContact OG-CB 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.49Å; S85-S88 PolarHBondContact OG-N 3.08Å
86K85.3Confident82.3Confident185 Ų18572.6 Ų72.680%0.80440%0.403SS*.THydrogen-bonded Turntrans-56.6-26179.7-175.5170.5179.9175.20114.5
87N87.9Confident80.5Confident64 Ų6470.7 Ų70.734%0.34241%0.407SS..THydrogen-bonded Turntrans-122.26.3175.5-48.4-70.5000112.9D52 L53 K54 S85D52-N87 WeakPolarHBondContact CA-O 3.41Å; D52-N87 VanDerWaalsContact OD1-O 3.13Å; L53-N87 WeakPolarHBondContact CB-O 3.42Å; L53-N87 WeakPolarHBondContact CG-O 3.35Å; L53-N87 PolarHBondContact N-O 2.89Å; K54-N87 WeakPolarHBondContact CE-OD1 3.21Å; S85-N87 PolarHBondContact O-N 3.35Å; S85-N87 VanDerWaalsContact O-N 3.09Å; S85-N87 PolarHBondContact OG-N 2.64Å
88S88.8Confident78.8Confident19 Ų1967.9 Ų67.913%0.13338%0.376CS..EExtended strand (participates in β ladder)trans-129.3131.6-171.8178.70000110.9V50 L51 K84 S85V50-S88 WeakPolarHBondContact CG1-OG 3.26Å; L51-S88 WeakPolarHBondContact O-CA 3.3Å; K84-S88 PolarHBondContact N-O 3.39Å; S85-S88 PolarHBondContact N-O 2.88Å; S85-S88 PolarHBondContact O-N 3.38Å; S85-S88 VanDerWaalsContact O-O 3.07Å; S85-S88 VanDerWaalsContact OG-CB 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.49Å; S85-S88 PolarHBondContact OG-N 3.08Å
89I89.6Confident77.5Confident6 Ų665.6 Ų65.63%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-114.2156169.959.6164.8000109.6F39 L43 V50 L51 L53 T72 I81 E82F39-I89 HydrophobicContact CE1-CD1 3.83Å; F39-I89 HydrophobicContact CZ-CD1 3.57Å; L43-I89 HydrophobicContact CD1-CD1 4.2Å; L43-I89 HydrophobicContact CD1-CG1 4.43Å; L43-I89 HydrophobicContact CD2-CD1 4Å; V50-I89 WeakPolarHBondContact CA-O 3.39Å; L51-I89 HydrophobicContact CB-CG1 4.13Å; L51-I89 PolarHBondContact N-O 3.17Å; L51-I89 PolarHBondContact O-N 2.89Å; L51-I89 VanDerWaalsContact O-N 3.07Å; L53-I89 HydrophobicContact CD1-CG2 4.22Å; L53-I89 HydrophobicContact CD2-CD1 4.08Å; L53-I89 HydrophobicContact CD2-CG1 3.98Å; L53-I89 HydrophobicContact CD2-CG2 4.07Å; L53-I89 HydrophobicContact CG-CG2 4.37Å; T72-I89 HydrophobicContact CG2-CD1 4.34Å; I81-I89 HydrophobicContact CD1-CB 4.41Å; I81-I89 HydrophobicContact CD1-CD1 3.83Å; I81-I89 HydrophobicContact CD1-CG2 4.29Å; I81-I89 HydrophobicContact CG2-CD1 4.44Å; E82-I89 CarbonylContact O-C 3.56Å; E82-I89 VanDerWaalsContact O-CA 3.24Å; E82-I89 WeakPolarHBondContact O-CA 3.34Å; E82-I89 WeakPolarHBondContact O-CB 3.43Å
90Q88.2Confident76.4Confident30 Ų3066.7 Ų66.714%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-123.7136.5173.1-176.7170.2-31.200110.2G49 V50 I81 E82 K84G49-Q90 CarbonylContact O-C 3.55Å; G49-Q90 WeakPolarHBondContact O-CA 3.22Å; V50-Q90 HydrophobicContact CG2-CB 4.35Å; V50-Q90 HydrophobicContact CG2-CG 4.1Å; I81-Q90 CarbonylContact C-O 3.32Å; I81-Q90 WeakPolarHBondContact CA-O 3.35Å; I81-Q90 WeakPolarHBondContact CB-O 3.32Å; E82-Q90 HydrophobicContact CG-CB 4.24Å; E82-Q90 PolarHBondContact N-O 3.37Å; E82-Q90 PolarHBondContact O-N 2.91Å; K84-Q90 HydrophobicContact CB-CB 4.39Å; K84-Q90 HydrophobicContact CD-CB 4.35Å
91W87.6Confident75.6Confident27 Ų2773.1 Ų73.110%0.10238%0.383CS..EExtended strand (participates in β ladder)trans-75.7123.7175.1-176.7-101.4000110.9L43 G49 L80 I81 G93 C98L43-W91 HydrophobicContact CD1-CB 4.09Å; L43-W91 HydrophobicContact CD2-CD2 4.43Å; L43-W91 HydrophobicContact CD2-CE3 3.49Å; L43-W91 VanDerWaalsContact CD2-CE3 3.49Å; L43-W91 HydrophobicContact CD2-CZ3 4.05Å; L43-W91 HydrophobicContact CG-CB 4.14Å; L43-W91 HydrophobicContact CG-CD2 4.35Å; L43-W91 HydrophobicContact CG-CE3 3.84Å; G49-W91 PolarHBondContact O-N 2.98Å; L80-W91 HydrophobicContact CB-CH2 4.43Å; L80-W91 HydrophobicContact CB-CZ3 4.26Å; I81-W91 HydrophobicContact CG2-CE3 3.75Å; I81-W91 HydrophobicContact CG2-CZ3 4.29Å; W91-G93 PolarHBondContact NE1-O 2.84Å; W91-C98 PolarHBondContact O-SG 2.98Å
92K77.6Confident74.9Confident119 Ų11978.2 Ų78.252%0.51741%0.407SS..  trans-94.5-19.5176.5-83.3-175.6159.5158.80113.7L80 E82L80-K92 PolarHBondContact O-N 3.21Å; E82-K92 HydrophobicContact CB-CD 4.16Å; E82-K92 HydrophobicContact CG-CD 4.47Å; E82-K92 WeakPolarHBondContact OE2-CE 3.38Å; E82-K92 IonicContact OE2-NZ 2.76Å; E82-K92 PolarHBondContact OE2-NZ 3.26Å
93G66.6Low74.4Confident15 Ų1579.7 Ų79.716%0.15542%0.416CS..SBendtrans-67.7152.1-179.600000113L80 W91 G95L80-G93 PolarHBondContact O-N 3.21Å; W91-G93 PolarHBondContact NE1-O 2.84Å; G93-G95 PolarHBondContact O-N 3.12Å
94V60.3Low74Confident134 Ų13475.3 Ų75.381%0.81241%0.406SS*.  trans-65.8122.4168.4-176.20000108.4T100V94-T100 HydrophobicContact CG1-CG2 4.26Å
95G56.6Low74Confident14 Ų1473.1 Ų73.114%0.14440%0.4CS..BIsolated β-bridgetrans-157.9153.3-177.400000112.1G93 G97 C98G93-G95 PolarHBondContact O-N 3.12Å; G95-G97 PolarHBondContact O-N 2.93Å; G95-C98 PolarHBondContact O-N 3.41Å
96P53.1Low74Confident142 Ų14275.4 Ų75.492%0.92240%0.403SS*.THydrogen-bonded Turntrans-69.59.1-164.528-36.4000116.3
97G55.1Low74.2Confident47 Ų4772.2 Ų72.249%0.48539%0.394SS..THydrogen-bonded Turntrans-136.52.4176.100000115.4G95G95-G97 PolarHBondContact O-N 2.93Å
98C53.8Low74.5Confident11 Ų1175.6 Ų75.67%0.07441%0.409CS..BIsolated β-bridgetrans-122.6118.2-177.8-175.10000111W91 G95 T100W91-C98 PolarHBondContact O-SG 2.98Å; G95-C98 PolarHBondContact O-N 3.41Å; C98-T100 PolarHBondContact O-N 3.46Å; C98-T100 PolarHBondContact O-OG1 3.08Å
99N59.6Low74.8Confident64 Ų6481 Ų8134%0.34243%0.432SS..SBendtrans50-16.8165.1-56.6-15.9000119.9R101 E102 I103N99-R101 VanDerWaalsContact C-N 3.26Å; N99-R101 PolarHBondContact O-N 3.28Å; N99-E102 PolarHBondContact O-N 2.99Å; N99-E102 VanDerWaalsContact O-N 3.15Å; N99-I103 HydrophobicContact CB-CD1 3.85Å; N99-I103 HydrophobicContact CB-CG1 4.47Å; N99-I103 VanDerWaalsContact O-CG1 3.32Å; N99-I103 WeakPolarHBondContact O-CG1 3.46Å; N99-I103 PolarHBondContact O-N 3.21Å
100T63.8Low75.1Confident63 Ų6385.4 Ų85.439%0.38746%0.456SS..Hα-helixtrans-61.6-34.2-169.1-54.80000111.9V94 C98 A104V94-T100 HydrophobicContact CG1-CG2 4.26Å; C98-T100 PolarHBondContact O-N 3.46Å; C98-T100 PolarHBondContact O-OG1 3.08Å; T100-A104 VanDerWaalsContact O-CB 3.26Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 3.11Å
101R69.3Low75.5Confident196 Ų19689.9 Ų89.974%0.7448%0.475SS*.Hα-helixtrans-68.7-52.8174.2178.6168.6-179.6156.23.6112.1N99 I103 A104 D105N99-R101 VanDerWaalsContact C-N 3.26Å; N99-R101 PolarHBondContact O-N 3.28Å; R101-I103 PolarHBondContact O-N 2.94Å; R101-A104 PolarHBondContact O-N 3.31Å; R101-A104 VanDerWaalsContact O-N 3.1Å; R101-D105 VanDerWaalsContact CG-OD2 3.27Å; R101-D105 WeakPolarHBondContact CG-OD2 3.33Å; R101-D105 IonicContact NE-OD2 3.35Å; R101-D105 PolarHBondContact NE-OD2 2.88Å; R101-D105 WeakPolarHBondContact O-CB 3.5Å; R101-D105 PolarHBondContact O-N 3.09Å
102E75.3Confident75.9Confident113 Ų11391.4 Ų91.453%0.52849%0.493SS..Hα-helixtrans-61.1-34.1178.5-66.6-171.9-162.300112.7N99 K106N99-E102 PolarHBondContact O-N 2.99Å; N99-E102 VanDerWaalsContact O-N 3.15Å; E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.37Å; E102-K106 WeakPolarHBondContact O-CG 3.23Å; E102-K106 PolarHBondContact O-N 3.21Å; E102-K106 IonicContact OE2-NZ 2.69Å; E102-K106 PolarHBondContact OE2-NZ 3.29Å
103I78.1Confident76.9Confident104 Ų10491.2 Ų91.253%0.53349%0.494SS..Hα-helixtrans-69.2-41.7175.3-67165.8000110.5N99 R101 L107N99-I103 HydrophobicContact CB-CD1 3.85Å; N99-I103 HydrophobicContact CB-CG1 4.47Å; N99-I103 VanDerWaalsContact O-CG1 3.32Å; N99-I103 WeakPolarHBondContact O-CG1 3.46Å; N99-I103 PolarHBondContact O-N 3.21Å; R101-I103 PolarHBondContact O-N 2.94Å; I103-L107 VanDerWaalsContact O-CB 3.26Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 PolarHBondContact O-N 3.28Å
104A81.9Confident78.4Confident49 Ų4996 Ų9641%0.40552%0.516SS..Hα-helixtrans-68.6-40.617600000112.8T100 R101 L107 M108T100-A104 VanDerWaalsContact O-CB 3.26Å; T100-A104 WeakPolarHBondContact O-CB 3.41Å; T100-A104 PolarHBondContact O-N 3.11Å; R101-A104 PolarHBondContact O-N 3.31Å; R101-A104 VanDerWaalsContact O-N 3.1Å; A104-L107 PolarHBondContact O-N 3.47Å; A104-M108 WeakPolarHBondContact O-CB 3.35Å; A104-M108 PolarHBondContact O-N 2.87Å
105D86.8Confident80.2Confident74 Ų7493.8 Ų93.840%0.39650%0.499SS..Hα-helixtrans-63.2-44.4176.5-66.6-18.4000109.6R101 M108 E109R101-D105 VanDerWaalsContact CG-OD2 3.27Å; R101-D105 WeakPolarHBondContact CG-OD2 3.33Å; R101-D105 IonicContact NE-OD2 3.35Å; R101-D105 PolarHBondContact NE-OD2 2.88Å; R101-D105 WeakPolarHBondContact O-CB 3.5Å; R101-D105 PolarHBondContact O-N 3.09Å; D105-M108 WeakPolarHBondContact O-CB 3.36Å; D105-M108 PolarHBondContact O-N 2.99Å; D105-E109 PolarHBondContact O-N 3.32Å
106K88.7Confident82.2Confident107 Ų10797.8 Ų97.847%0.46552%0.517SS..Hα-helixtrans-65.3-38.1172.3-74.4164.3-174.8152.50113.5E102 M108 E109 L110E102-K106 VanDerWaalsContact O-CB 3.3Å; E102-K106 WeakPolarHBondContact O-CB 3.14Å; E102-K106 WeakPolarHBondContact O-CD 3.37Å; E102-K106 WeakPolarHBondContact O-CG 3.23Å; E102-K106 PolarHBondContact O-N 3.21Å; E102-K106 IonicContact OE2-NZ 2.69Å; E102-K106 PolarHBondContact OE2-NZ 3.29Å; K106-M108 VanDerWaalsContact C-N 3.28Å; K106-M108 PolarHBondContact O-N 3.4Å; K106-E109 PolarHBondContact O-N 2.99Å; K106-L110 VanDerWaalsContact O-CD1 3.24Å; K106-L110 WeakPolarHBondContact O-CD1 3.48Å; K106-L110 PolarHBondContact O-N 2.87Å
107L89.8Confident84.3Confident119 Ų11995.5 Ų95.562%0.62350%0.497SS*.Hα-helixtrans-64.9-36.7176.5-167.7160.4000110.6I103 A104 K111I103-L107 VanDerWaalsContact O-CB 3.26Å; I103-L107 WeakPolarHBondContact O-CB 3.33Å; I103-L107 PolarHBondContact O-N 3.28Å; A104-L107 PolarHBondContact O-N 3.47Å; L107-K111 VanDerWaalsContact O-CB 3.26Å; L107-K111 WeakPolarHBondContact O-CB 3.21Å; L107-K111 PolarHBondContact O-N 3.32Å
108M93.1Very high86.4Confident135 Ų13595.9 Ų95.967%0.66550%0.495SS*.Hα-helixtrans-66.9-41.3173.2-165.2-177.8-52.900112.1A104 D105 K106 K111 A112A104-M108 WeakPolarHBondContact O-CB 3.35Å; A104-M108 PolarHBondContact O-N 2.87Å; D105-M108 WeakPolarHBondContact O-CB 3.36Å; D105-M108 PolarHBondContact O-N 2.99Å; K106-M108 VanDerWaalsContact C-N 3.28Å; K106-M108 PolarHBondContact O-N 3.4Å; M108-K111 PolarHBondContact O-N 2.93Å; M108-A112 PolarHBondContact O-N 3.45Å
109E95.6Very high88.5Confident131 Ų131100.9 Ų100.961%0.61252%0.52SS*.Hα-helixtrans-62.4-54.4175.2-175.7172.3-141.200111.9D105 K106 K111 A112 E113D105-E109 PolarHBondContact O-N 3.32Å; K106-E109 PolarHBondContact O-N 2.99Å; E109-K111 PolarHBondContact O-N 2.79Å; E109-A112 PolarHBondContact O-N 2.97Å; E109-A112 VanDerWaalsContact O-N 3.08Å; E109-E113 PolarHBondContact O-N 2.56Å
110L96Very high90.3Very high99 Ų99104 Ų10452%0.51853%0.527SS..Hα-helixtrans-61.4-32.4176.6-89.975.1000112.3K106 L114K106-L110 VanDerWaalsContact O-CD1 3.24Å; K106-L110 WeakPolarHBondContact O-CD1 3.48Å; K106-L110 PolarHBondContact O-N 2.87Å; L110-L114 WeakPolarHBondContact O-CG 3.36Å; L110-L114 PolarHBondContact O-N 3Å
111K96.3Very high92Very high124 Ų124107.5 Ų107.554%0.53954%0.539SS..Hα-helixtrans-67-45.7173.4-175.1-177.5173.7-169.80111.1L107 M108 E109 E113 L114 D115L107-K111 VanDerWaalsContact O-CB 3.26Å; L107-K111 WeakPolarHBondContact O-CB 3.21Å; L107-K111 PolarHBondContact O-N 3.32Å; M108-K111 PolarHBondContact O-N 2.93Å; E109-K111 PolarHBondContact O-N 2.79Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.31Å; K111-L114 PolarHBondContact O-N 3.3Å; K111-D115 WeakPolarHBondContact CE-OD2 3.3Å; K111-D115 PolarHBondContact O-N 2.96Å
112A97.4Very high93.4Very high59 Ų59102.1 Ų102.149%0.48853%0.526SS..Hα-helixtrans-63.1-35.4177.700000111.9M108 E109 D115 D116M108-A112 PolarHBondContact O-N 3.45Å; E109-A112 PolarHBondContact O-N 2.97Å; E109-A112 VanDerWaalsContact O-N 3.08Å; A112-D115 PolarHBondContact O-N 2.87Å; A112-D116 WeakPolarHBondContact O-CB 3.24Å; A112-D116 PolarHBondContact O-N 3.28Å
113E97.9Very high94.5Very high116 Ų116100.4 Ų100.454%0.54252%0.517SS..Hα-helixtrans-64.7-43.9172.1-172.9176.6-162.900112E109 K111 D116 L117E109-E113 PolarHBondContact O-N 2.56Å; K111-E113 VanDerWaalsContact C-N 3.27Å; K111-E113 PolarHBondContact O-N 3.31Å; E113-D116 PolarHBondContact O-N 3.14Å; E113-L117 HydrophobicContact CG-CD1 4.06Å; E113-L117 HydrophobicContact CG-CG 4.49Å; E113-L117 WeakPolarHBondContact O-CB 3.39Å; E113-L117 VanDerWaalsContact O-CG 3.23Å; E113-L117 WeakPolarHBondContact O-CG 3.49Å; E113-L117 PolarHBondContact O-N 3.15Å
114L97.8Very high95.4Very high116 Ų116100 Ų10061%0.60752%0.516SS*.Hα-helixtrans-63-41.1173.7-74.7169.3000112.6L110 K111 A118L110-L114 WeakPolarHBondContact O-CG 3.36Å; L110-L114 PolarHBondContact O-N 3Å; K111-L114 PolarHBondContact O-N 3.3Å; L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.47Å
115D98.1Very high96.2Very high86 Ų86101.1 Ų101.146%0.4652%0.515SS..Hα-helixtrans-65.4-38.4177.6-70.3-27.9000110.9K111 A112 L119K111-D115 WeakPolarHBondContact CE-OD2 3.3Å; K111-D115 PolarHBondContact O-N 2.96Å; A112-D115 PolarHBondContact O-N 2.87Å; D115-L119 WeakPolarHBondContact O-CG 3.2Å; D115-L119 PolarHBondContact O-N 3.1Å
116D98.3Very high96.8Very high99 Ų99101.4 Ų101.453%0.52951%0.514SS..Hα-helixtrans-69.6-44.6174-174.375.3000112.7A112 E113 A118 L119 R120A112-D116 WeakPolarHBondContact O-CB 3.24Å; A112-D116 PolarHBondContact O-N 3.28Å; E113-D116 PolarHBondContact O-N 3.14Å; D116-A118 VanDerWaalsContact C-N 3.31Å; D116-A118 PolarHBondContact O-N 3.34Å; D116-L119 WeakPolarHBondContact O-CB 3.33Å; D116-L119 PolarHBondContact O-N 2.94Å; D116-L119 VanDerWaalsContact O-N 3.17Å; D116-R120 WeakPolarHBondContact O-CB 3.27Å; D116-R120 PolarHBondContact O-N 3.28Å
117L98.3Very high97.3Very high94 Ų94100 Ų10049%0.49251%0.509SS..Hα-helixtrans-60.5-40.2176.7-73.5171.3000111.7E113 R120 E121E113-L117 HydrophobicContact CG-CD1 4.06Å; E113-L117 HydrophobicContact CG-CG 4.49Å; E113-L117 WeakPolarHBondContact O-CB 3.39Å; E113-L117 VanDerWaalsContact O-CG 3.23Å; E113-L117 WeakPolarHBondContact O-CG 3.49Å; E113-L117 PolarHBondContact O-N 3.15Å; L117-R120 PolarHBondContact O-N 2.97Å; L117-E121 WeakPolarHBondContact O-CB 3.46Å; L117-E121 PolarHBondContact O-N 3.07Å
118A98.2Very high97.7Very high55 Ų5599.5 Ų99.546%0.45550%0.502SS..Hα-helixtrans-66.2-37.8175.600000112.6L114 D116 R120 N122L114-A118 WeakPolarHBondContact O-CB 3.33Å; L114-A118 PolarHBondContact O-N 3.47Å; D116-A118 VanDerWaalsContact C-N 3.31Å; D116-A118 PolarHBondContact O-N 3.34Å; A118-R120 VanDerWaalsContact C-N 3.32Å; A118-N122 WeakPolarHBondContact O-CB 3.26Å; A118-N122 PolarHBondContact O-N 3.2Å; A118-N122 VanDerWaalsContact O-N 3.12Å
119L98.4Very high97.9Very high115 Ų11597 Ų9760%0.60249%0.494SS*.Hα-helixtrans-64.1-38.4171.5-72.5170.4000111.5D115 D116 E123D115-L119 WeakPolarHBondContact O-CG 3.2Å; D115-L119 PolarHBondContact O-N 3.1Å; D116-L119 WeakPolarHBondContact O-CB 3.33Å; D116-L119 PolarHBondContact O-N 2.94Å; D116-L119 VanDerWaalsContact O-N 3.17Å; L119-E123 PolarHBondContact O-N 3.05Å
120R98.3Very high98Very high129 Ų12998.4 Ų98.449%0.48749%0.494SS..Hα-helixtrans-73.3-36.4-179.6-171146.4-153.464.714.5113.4D116 L117 A118 E123 L124D116-R120 WeakPolarHBondContact O-CB 3.27Å; D116-R120 PolarHBondContact O-N 3.28Å; L117-R120 PolarHBondContact O-N 2.97Å; A118-R120 VanDerWaalsContact C-N 3.32Å; R120-E123 IonicContact CZ-OE2 2.71Å; R120-E123 IonicContact NH1-OE2 2.82Å; R120-E123 PolarHBondContact NH1-OE2 2.98Å; R120-E123 IonicContact NH2-OE2 2.69Å; R120-E123 PolarHBondContact O-N 3.14Å; R120-L124 WeakPolarHBondContact O-CG 3.28Å; R120-L124 PolarHBondContact O-N 3.27Å; R120-L124 VanDerWaalsContact O-N 3.08Å
121E98.4Very high98.2Very high137 Ų13797.7 Ų97.764%0.6449%0.493SS*.Hα-helixtrans-63-47.2170.8-176.9170.1-147.900110.8L117 E123 L124 D125L117-E121 WeakPolarHBondContact O-CB 3.46Å; L117-E121 PolarHBondContact O-N 3.07Å; E121-E123 PolarHBondContact O-N 3.11Å; E121-L124 PolarHBondContact O-N 3.42Å; E121-L124 VanDerWaalsContact O-N 3.16Å; E121-D125 PolarHBondContact O-N 3.43Å
122N98.3Very high98.2Very high84 Ų8497.3 Ų97.345%0.44949%0.494SS..Hα-helixtrans-61.4-37.6174.9177.433.8000113A118 Q126A118-N122 WeakPolarHBondContact O-CB 3.26Å; A118-N122 PolarHBondContact O-N 3.2Å; A118-N122 VanDerWaalsContact O-N 3.12Å; N122-Q126 VanDerWaalsContact CG-NE2 3.33Å; N122-Q126 PolarHBondContact ND2-NE2 2.85Å; N122-Q126 WeakPolarHBondContact O-CG 3.49Å; N122-Q126 PolarHBondContact O-N 2.67Å; N122-Q126 VanDerWaalsContact O-N 3.08Å; N122-Q126 PolarHBondContact O-NE2 3.18Å; N122-Q126 PolarHBondContact OD1-NE2 2.79Å
123E98.4Very high98.3Very high76 Ų7699 Ų9936%0.35549%0.491SS..Hα-helixtrans-59.9-48.9171.5-175-171.2-163.700111L119 R120 E121 D125 Q126 Q127L119-E123 PolarHBondContact O-N 3.05Å; R120-E123 IonicContact CZ-OE2 2.71Å; R120-E123 IonicContact NH1-OE2 2.82Å; R120-E123 PolarHBondContact NH1-OE2 2.98Å; R120-E123 IonicContact NH2-OE2 2.69Å; R120-E123 PolarHBondContact O-N 3.14Å; E121-E123 PolarHBondContact O-N 3.11Å; E123-D125 PolarHBondContact O-N 3.05Å; E123-Q126 PolarHBondContact O-N 3.32Å; E123-Q127 WeakPolarHBondContact O-CG 3.26Å; E123-Q127 PolarHBondContact O-N 3.18Å; E123-Q127 PolarHBondContact OE1-NE2 3.36Å; E123-Q127 VanDerWaalsContact OE1-NE2 3.09Å
124L98.5Very high98.3Very high95 Ų9596.8 Ų96.850%0.49749%0.489SS..Hα-helixtrans-65.7-38.4-178.1-71.9169.5000112.3R120 E121 Q127 K128R120-L124 WeakPolarHBondContact O-CG 3.28Å; R120-L124 PolarHBondContact O-N 3.27Å; R120-L124 VanDerWaalsContact O-N 3.08Å; E121-L124 PolarHBondContact O-N 3.42Å; E121-L124 VanDerWaalsContact O-N 3.16Å; L124-Q127 PolarHBondContact O-N 3.46Å; L124-K128 VanDerWaalsContact O-CB 3.22Å; L124-K128 WeakPolarHBondContact O-CB 3.43Å; L124-K128 PolarHBondContact O-N 2.78Å
125D98.5Very high98.2Very high74 Ų7496 Ų9640%0.39648%0.484SS..Hα-helixtrans-69.2-37.1176.3-104-11.7000112.6E121 E123 K128 V129E121-D125 PolarHBondContact O-N 3.43Å; E123-D125 PolarHBondContact O-N 3.05Å; D125-K128 PolarHBondContact O-N 3.47Å; D125-K128 WeakPolarHBondContact OD1-CD 3.46Å; D125-K128 WeakPolarHBondContact OD1-CE 3.31Å; D125-K128 IonicContact OD1-NZ 3.52Å; D125-K128 PolarHBondContact OD1-NZ 3.39Å; D125-V129 WeakPolarHBondContact O-CG2 3.32Å; D125-V129 PolarHBondContact O-N 2.93Å
126Q98.4Very high98.1Very high79 Ų7997 Ų9737%0.36948%0.484SS..Hα-helixtrans-62.2-47.2170.5-74.3173.85700111.6N122 E123 K128 V129 W130N122-Q126 VanDerWaalsContact CG-NE2 3.33Å; N122-Q126 PolarHBondContact ND2-NE2 2.85Å; N122-Q126 WeakPolarHBondContact O-CG 3.49Å; N122-Q126 PolarHBondContact O-N 2.67Å; N122-Q126 VanDerWaalsContact O-N 3.08Å; N122-Q126 PolarHBondContact O-NE2 3.18Å; N122-Q126 PolarHBondContact OD1-NE2 2.79Å; E123-Q126 PolarHBondContact O-N 3.32Å; Q126-K128 VanDerWaalsContact C-N 3.34Å; Q126-K128 PolarHBondContact O-N 3.09Å; Q126-V129 PolarHBondContact O-N 3.17Å; Q126-W130 HydrophobicContact CB-CH2 4.19Å; Q126-W130 HydrophobicContact CB-CZ2 3.98Å; Q126-W130 PolarHBondContact O-N 2.9Å
127Q98.3Very high98Very high78 Ų7897.1 Ų97.136%0.36449%0.485SS..Hα-helixtrans-60.3-42.6176.6-70.8177.914.500111.9E123 L124 W130 V131E123-Q127 WeakPolarHBondContact O-CG 3.26Å; E123-Q127 PolarHBondContact O-N 3.18Å; E123-Q127 PolarHBondContact OE1-NE2 3.36Å; E123-Q127 VanDerWaalsContact OE1-NE2 3.09Å; L124-Q127 PolarHBondContact O-N 3.46Å; Q127-W130 HydrophobicContact CG-CE3 4.21Å; Q127-W130 HydrophobicContact CG-CZ3 4.13Å; Q127-W130 PolarHBondContact O-N 3.11Å; Q127-V131 WeakPolarHBondContact O-CB 3.26Å; Q127-V131 WeakPolarHBondContact O-CG2 3.47Å; Q127-V131 PolarHBondContact O-N 2.88Å
128K98.4Very high97.9Very high109 Ų10996.7 Ų96.747%0.47449%0.486SS..Hα-helixtrans-59.3-46.3174.6168.4177.4139.7-156.40111.9L124 D125 Q126 V131 Q132L124-K128 VanDerWaalsContact O-CB 3.22Å; L124-K128 WeakPolarHBondContact O-CB 3.43Å; L124-K128 PolarHBondContact O-N 2.78Å; D125-K128 PolarHBondContact O-N 3.47Å; D125-K128 WeakPolarHBondContact OD1-CD 3.46Å; D125-K128 WeakPolarHBondContact OD1-CE 3.31Å; D125-K128 IonicContact OD1-NZ 3.52Å; D125-K128 PolarHBondContact OD1-NZ 3.39Å; Q126-K128 VanDerWaalsContact C-N 3.34Å; Q126-K128 PolarHBondContact O-N 3.09Å; K128-V131 PolarHBondContact O-N 3Å; K128-Q132 WeakPolarHBondContact O-CB 3.46Å; K128-Q132 VanDerWaalsContact O-CG 3.27Å; K128-Q132 WeakPolarHBondContact O-CG 3.41Å; K128-Q132 PolarHBondContact O-N 2.8Å
129V98.4Very high97.6Very high82 Ų8298.2 Ų98.250%0.49749%0.49SS..Hα-helixtrans-64.4-42.4175.8169.80000111.5D125 Q126 Q132 Q133D125-V129 WeakPolarHBondContact O-CG2 3.32Å; D125-V129 PolarHBondContact O-N 2.93Å; Q126-V129 PolarHBondContact O-N 3.17Å; V129-Q132 PolarHBondContact O-N 3.01Å; V129-Q133 WeakPolarHBondContact O-CB 3.43Å; V129-Q133 PolarHBondContact O-N 3.38Å
130W98.1Very high97.3Very high161 Ų16197.8 Ų97.861%0.6149%0.488SS*.Hα-helixtrans-63-42.4176.1-61.5-24.2000112.4Q126 Q127 Q133 S134Q126-W130 HydrophobicContact CB-CH2 4.19Å; Q126-W130 HydrophobicContact CB-CZ2 3.98Å; Q126-W130 PolarHBondContact O-N 2.9Å; Q127-W130 HydrophobicContact CG-CE3 4.21Å; Q127-W130 HydrophobicContact CG-CZ3 4.13Å; Q127-W130 PolarHBondContact O-N 3.11Å; W130-Q133 PolarHBondContact O-N 2.85Å; W130-S134 WeakPolarHBondContact O-CB 3.21Å; W130-S134 PolarHBondContact O-N 2.67Å
131V98.6Very high97.2Very high84 Ų8494.8 Ų94.851%0.50948%0.482SS..Hα-helixtrans-67.1-43.1176.6170.50000111.1Q127 K128 Q133 S134 I135Q127-V131 WeakPolarHBondContact O-CB 3.26Å; Q127-V131 WeakPolarHBondContact O-CG2 3.47Å; Q127-V131 PolarHBondContact O-N 2.88Å; K128-V131 PolarHBondContact O-N 3Å; V131-Q133 PolarHBondContact O-N 2.94Å; V131-S134 PolarHBondContact O-N 3.07Å; V131-I135 HydrophobicContact CG1-CD1 3.85Å; V131-I135 HydrophobicContact CG1-CG1 4.43Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 2.84Å
132Q98Very high96.9Very high116 Ų11693.2 Ų93.254%0.54249%0.486SS..Hα-helixtrans-60.9-44.8175.4-76176.4-16.100112K128 V129 K136K128-Q132 WeakPolarHBondContact O-CB 3.46Å; K128-Q132 VanDerWaalsContact O-CG 3.27Å; K128-Q132 WeakPolarHBondContact O-CG 3.41Å; K128-Q132 PolarHBondContact O-N 2.8Å; V129-Q132 PolarHBondContact O-N 3.01Å; Q132-K136 WeakPolarHBondContact O-CB 3.44Å; Q132-K136 PolarHBondContact O-N 2.89Å
133Q97.9Very high96.6Very high95 Ų9590.9 Ų90.944%0.44448%0.482SS..Hα-helixtrans-68.9-34176.2-171.460.455.200112V129 W130 V131 K136 N137V129-Q133 WeakPolarHBondContact O-CB 3.43Å; V129-Q133 PolarHBondContact O-N 3.38Å; W130-Q133 PolarHBondContact O-N 2.85Å; V131-Q133 PolarHBondContact O-N 2.94Å; Q133-K136 PolarHBondContact O-N 2.93Å; Q133-N137 PolarHBondContact NE2-OD1 3.18Å; Q133-N137 WeakPolarHBondContact O-CB 3.24Å; Q133-N137 PolarHBondContact O-N 2.89Å; Q133-N137 PolarHBondContact O-ND2 3.29Å; Q133-N137 PolarHBondContact O-OD1 3.39Å
134S97.9Very high96.4Very high69 Ų6989.7 Ų89.748%0.48348%0.478SS..Hα-helixtrans-66-45.8174.81780000111.9W130 V131 K136 N137 V138W130-S134 WeakPolarHBondContact O-CB 3.21Å; W130-S134 PolarHBondContact O-N 2.67Å; V131-S134 PolarHBondContact O-N 3.07Å; S134-K136 VanDerWaalsContact C-N 3.34Å; S134-K136 PolarHBondContact O-N 3.09Å; S134-N137 PolarHBondContact O-N 2.91Å; S134-V138 WeakPolarHBondContact O-CG2 3.5Å; S134-V138 PolarHBondContact O-N 2.95Å; S134-V138 VanDerWaalsContact O-N 3.14Å
135I96.9Very high95.9Very high100 Ų10089.2 Ų89.251%0.51348%0.482SS..Hα-helixtrans-57.1-50.4173-69.8165.4000109.3V131 N137 V138 T139V131-I135 HydrophobicContact CG1-CD1 3.85Å; V131-I135 HydrophobicContact CG1-CG1 4.43Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.45Å; V131-I135 PolarHBondContact O-N 2.84Å; I135-N137 PolarHBondContact O-N 2.87Å; I135-V138 PolarHBondContact O-N 3.06Å; I135-T139 HydrophobicContact CG2-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.43Å; I135-T139 PolarHBondContact O-N 3.45Å; I135-T139 PolarHBondContact O-OG1 2.83Å
136K95.8Very high95.6Very high105 Ų10590.1 Ų90.146%0.45749%0.492SS..Hα-helixtrans-57.4-45.4178.5-172.8176.9179.1-179.70112.7Q132 Q133 S134 V138 T139 D140Q132-K136 WeakPolarHBondContact O-CB 3.44Å; Q132-K136 PolarHBondContact O-N 2.89Å; Q133-K136 PolarHBondContact O-N 2.93Å; S134-K136 VanDerWaalsContact C-N 3.34Å; S134-K136 PolarHBondContact O-N 3.09Å; K136-V138 PolarHBondContact O-N 3.4Å; K136-T139 WeakPolarHBondContact CA-OG1 3.05Å; K136-T139 PolarHBondContact O-N 2.75Å; K136-T139 PolarHBondContact O-OG1 3.44Å; K136-D140 WeakPolarHBondContact CE-OD2 3.22Å; K136-D140 VanDerWaalsContact CG-OD2 3.24Å; K136-D140 WeakPolarHBondContact CG-OD2 3.48Å; K136-D140 VanDerWaalsContact O-CB 3.23Å; K136-D140 WeakPolarHBondContact O-CB 3.44Å; K136-D140 VanDerWaalsContact O-CG 3.26Å; K136-D140 PolarHBondContact O-N 3.01Å
137N95.6Very high95.3Very high103 Ų10392.2 Ų92.255%0.55150%0.504SS*.Hα-helixtrans-60.6-31.7177.5-70.4-8.5000112.5Q133 S134 I135Q133-N137 PolarHBondContact NE2-OD1 3.18Å; Q133-N137 WeakPolarHBondContact O-CB 3.24Å; Q133-N137 PolarHBondContact O-N 2.89Å; Q133-N137 PolarHBondContact O-ND2 3.29Å; Q133-N137 PolarHBondContact O-OD1 3.39Å; S134-N137 PolarHBondContact O-N 2.91Å; I135-N137 PolarHBondContact O-N 2.87Å
138V95.6Very high95Very high84 Ų8492.7 Ų92.751%0.50952%0.521SS..Hα-helixtrans-81.7-37.7177.8174.30000111.7S134 I135 K136 N144S134-V138 WeakPolarHBondContact O-CG2 3.5Å; S134-V138 PolarHBondContact O-N 2.95Å; S134-V138 VanDerWaalsContact O-N 3.14Å; I135-V138 PolarHBondContact O-N 3.06Å; K136-V138 PolarHBondContact O-N 3.4Å; V138-N144 WeakPolarHBondContact O-CB 3.33Å; V138-N144 PolarHBondContact O-ND2 2.71Å
139T93.2Very high94.7Very high87 Ų8795.1 Ų95.153%0.53453%0.528SS..Hα-helixtrans-76.4-36.6179.9550000113.8I135 K136 D141I135-T139 HydrophobicContact CG2-CG2 4.22Å; I135-T139 WeakPolarHBondContact O-CG2 3.43Å; I135-T139 PolarHBondContact O-N 3.45Å; I135-T139 PolarHBondContact O-OG1 2.83Å; K136-T139 WeakPolarHBondContact CA-OG1 3.05Å; K136-T139 PolarHBondContact O-N 2.75Å; K136-T139 PolarHBondContact O-OG1 3.44Å; T139-D141 VanDerWaalsContact C-N 3.31Å
140D92.5Very high94.4Very high106 Ų10696 Ų9657%0.56753%0.534SS*.SBendtrans-84.5-9.6-175-62.916.3000111.7K136 S142K136-D140 WeakPolarHBondContact CE-OD2 3.22Å; K136-D140 VanDerWaalsContact CG-OD2 3.24Å; K136-D140 WeakPolarHBondContact CG-OD2 3.48Å; K136-D140 VanDerWaalsContact O-CB 3.23Å; K136-D140 WeakPolarHBondContact O-CB 3.44Å; K136-D140 VanDerWaalsContact O-CG 3.26Å; K136-D140 PolarHBondContact O-N 3.01Å; D140-S142 PolarHBondContact O-N 3.2Å
141D94.8Very high94.1Very high66 Ų6693.4 Ų93.435%0.35353%0.527SS..  trans-68.6119.2171.9173.928.7000111.6T139 G143 N144 S145T139-D141 VanDerWaalsContact C-N 3.31Å; D141-G143 VanDerWaalsContact CG-N 3.34Å; D141-G143 PolarHBondContact O-N 3.28Å; D141-G143 VanDerWaalsContact O-N 3.11Å; D141-G143 PolarHBondContact OD1-N 3Å; D141-N144 PolarHBondContact O-N 3.13Å; D141-N144 PolarHBondContact OD2-ND2 3.43Å; D141-S145 PolarHBondContact O-N 2.95Å
142S92.4Very high93.5Very high104 Ų10494.7 Ų94.773%0.72753%0.527SS*.THydrogen-bonded Turntrans-51.2-28.7171.860.20000114.8D140 P146D140-S142 PolarHBondContact O-N 3.2Å; S142-P146 VanDerWaalsContact O-CD 3.24Å; S142-P146 WeakPolarHBondContact O-CD 3.3Å
143G93Very high93.1Very high36 Ų3696.1 Ų96.137%0.37153%0.534SS..THydrogen-bonded Turntrans-70-34.517600000113.4D141 P146D141-G143 VanDerWaalsContact CG-N 3.34Å; D141-G143 PolarHBondContact O-N 3.28Å; D141-G143 VanDerWaalsContact O-N 3.11Å; D141-G143 PolarHBondContact OD1-N 3Å; G143-P146 WeakPolarHBondContact O-CD 3.39Å
144N92.6Very high92.8Very high50 Ų5095.6 Ų95.627%0.26753%0.534SS..THydrogen-bonded Turntrans-86.4-26.6-178.6-62.6-37.3000113.1V138 D141 M147 A148V138-N144 WeakPolarHBondContact O-CB 3.33Å; V138-N144 PolarHBondContact O-ND2 2.71Å; D141-N144 PolarHBondContact O-N 3.13Å; D141-N144 PolarHBondContact OD2-ND2 3.43Å; N144-M147 CarbonylContact O-C 3.52Å; N144-M147 WeakPolarHBondContact O-CA 3.48Å; N144-M147 PolarHBondContact O-N 2.9Å; N144-M147 WeakPolarHBondContact OD1-CE 3.21Å; N144-A148 PolarHBondContact O-N 3.42Å
145S89.3Confident92.4Very high85 Ų8594.8 Ų94.859%0.59452%0.524SS*.G310 helixtrans-46.6-48.9176.6-174.40000114.7D141 M147 A148D141-S145 PolarHBondContact O-N 2.95Å; S145-M147 VanDerWaalsContact C-N 3.26Å; S145-M147 PolarHBondContact O-N 3.39Å; S145-A148 PolarHBondContact O-N 3.47Å
146P91.7Very high91.9Very high93 Ų9391.5 Ų91.560%0.60451%0.51SS*.G310 helixtrans-74.4-7.817631-37.9000114.9S142 G143 Y149S142-P146 VanDerWaalsContact O-CD 3.24Å; S142-P146 WeakPolarHBondContact O-CD 3.3Å; G143-P146 WeakPolarHBondContact O-CD 3.39Å; P146-Y149 WeakPolarHBondContact O-CD1 3.28Å; P146-Y149 WeakPolarHBondContact O-CE1 3.2Å
147M91.4Very high91.6Very high123 Ų12388.5 Ų88.561%0.60651%0.508SS*.G310 helixtrans-100.4-12.4177.8-59.4-165.7-69.600113N144 S145 Y149N144-M147 CarbonylContact O-C 3.52Å; N144-M147 WeakPolarHBondContact O-CA 3.48Å; N144-M147 PolarHBondContact O-N 2.9Å; N144-M147 WeakPolarHBondContact OD1-CE 3.21Å; S145-M147 VanDerWaalsContact C-N 3.26Å; S145-M147 PolarHBondContact O-N 3.39Å; M147-Y149 PolarHBondContact O-N 2.92Å
148A92.6Very high91.4Very high89 Ų8988.6 Ų88.674%0.73651%0.513SS*.  trans-78.760.4-178.300000113N144 S145N144-A148 PolarHBondContact O-N 3.42Å; S145-A148 PolarHBondContact O-N 3.47Å
149Y92Very high91Very high159 Ų15989.5 Ų89.562%0.62451%0.51SS*.  trans-137.2163.5177.369.5-90.7000112.5P146 M147 K151P146-Y149 WeakPolarHBondContact O-CD1 3.28Å; P146-Y149 WeakPolarHBondContact O-CE1 3.2Å; M147-Y149 PolarHBondContact O-N 2.92Å; Y149-K151 HydrophobicContact CE2-CG 4.2Å
150V92.8Very high90.7Very high101 Ų10193.4 Ų93.461%0.61252%0.519SS*.  trans-117.9149.9171.3-64.80000109.7L155V150-L155 HydrophobicContact CG2-CD1 4.05Å; V150-L155 HydrophobicContact CG2-CD2 4.15Å; V150-L155 HydrophobicContact CG2-CG 4.11Å
151K91.3Very high90.3Very high106 Ų10691.8 Ų91.846%0.46153%0.527SS..  trans-88.6158179.4-56.5171.6-178171.50111.3Y149 E153 D154 L155Y149-K151 HydrophobicContact CE2-CG 4.2Å; K151-E153 PolarHBondContact O-N 3.44Å; K151-D154 WeakPolarHBondContact CA-OD2 3.15Å; K151-D154 WeakPolarHBondContact CB-OD2 3.29Å; K151-D154 WeakPolarHBondContact CG-OD2 3.38Å; K151-D154 PolarHBondContact N-OD2 2.94Å; K151-D154 PolarHBondContact O-N 2.95Å; K151-L155 PolarHBondContact O-N 3.43Å
152H86.8Confident89.9Confident112 Ų11293.1 Ų93.152%0.51953%0.534SS..Hα-helixtrans-55.4-40.6168.6170.180.3000112D154 L155 C156 V206H152-D154 VanDerWaalsContact C-N 3.34Å; H152-D154 PolarHBondContact O-N 3.01Å; H152-L155 PolarHBondContact O-N 3.44Å; H152-C156 PolarHBondContact CE1-SG 2.77Å; H152-C156 WeakPolarHBondContact O-CB 3.27Å; H152-C156 PolarHBondContact O-N 2.98Å; H152-V206 PolarHBondContact CE1-O 3.23Å; H152-V206 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V206 PolarHBondContact ND1-O 3.21Å
153E88.8Confident89.7Confident146 Ų14692.9 Ų92.968%0.68253%0.529SS*.Hα-helixtrans-61.3-39.3176.9-64.6177.1166.800112.6K151 G157K151-E153 PolarHBondContact O-N 3.44Å; E153-G157 WeakPolarHBondContact O-CA 3.4Å; E153-G157 PolarHBondContact O-N 3.08Å
154D91.1Very high89.7Confident83 Ų8392.5 Ų92.544%0.44452%0.518SS..Hα-helixtrans-66.4-46.8178.8-50-38.4000110.2K151 H152 G157 V158K151-D154 WeakPolarHBondContact CA-OD2 3.15Å; K151-D154 WeakPolarHBondContact CB-OD2 3.29Å; K151-D154 WeakPolarHBondContact CG-OD2 3.38Å; K151-D154 PolarHBondContact N-OD2 2.94Å; K151-D154 PolarHBondContact O-N 2.95Å; H152-D154 VanDerWaalsContact C-N 3.34Å; H152-D154 PolarHBondContact O-N 3.01Å; D154-G157 PolarHBondContact O-N 3.24Å; D154-V158 PolarHBondContact O-N 3.38Å
155L89.6Confident89.6Confident52 Ų5295.4 Ų95.427%0.27253%0.533SS..Hα-helixtrans-64.4-49.3-179.7-68.1174.4000112.5V150 K151 H152 G157 V158 F159 L164 V206V150-L155 HydrophobicContact CG2-CD1 4.05Å; V150-L155 HydrophobicContact CG2-CD2 4.15Å; V150-L155 HydrophobicContact CG2-CG 4.11Å; K151-L155 PolarHBondContact O-N 3.43Å; H152-L155 PolarHBondContact O-N 3.44Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.48Å; L155-V158 PolarHBondContact O-N 3.3Å; L155-F159 PolarHBondContact O-N 3.24Å; L155-L164 HydrophobicContact CB-CD1 4.19Å; L155-V206 HydrophobicContact CB-CG1 4.3Å; L155-V206 HydrophobicContact CD1-CG1 4Å; L155-V206 HydrophobicContact CD1-CG2 4.32Å
156C87.8Confident89.7Confident32 Ų3293.2 Ų93.222%0.21652%0.52CS..Hα-helixtrans-72.6-19.1176.6-68.60000112.9H152 K160H152-C156 PolarHBondContact CE1-SG 2.77Å; H152-C156 WeakPolarHBondContact O-CB 3.27Å; H152-C156 PolarHBondContact O-N 2.98Å; C156-K160 WeakPolarHBondContact O-CG 3.32Å
157G88.4Confident89.9Confident41 Ų4192.4 Ų92.442%0.42351%0.51SS..Hα-helixtrans-70.1-32.1170.600000113.2E153 D154 L155 K160E153-G157 WeakPolarHBondContact O-CA 3.4Å; E153-G157 PolarHBondContact O-N 3.08Å; D154-G157 PolarHBondContact O-N 3.24Å; L155-G157 VanDerWaalsContact C-N 3.25Å; L155-G157 PolarHBondContact O-N 3.48Å; G157-K160 WeakPolarHBondContact O-CE 3.5Å
158V91.9Very high90Very high106 Ų10695.1 Ų95.164%0.64251%0.514SS*.Hα-helixtrans-84.2-52.1175.2176.60000111.5D154 L155D154-V158 PolarHBondContact O-N 3.38Å; L155-V158 PolarHBondContact O-N 3.3Å
159F87.6Confident90.1Very high102 Ų10293 Ų9345%0.44750%0.496SS..SBendtrans-105.892.9-173.6-55.8-80.3000111.1L155 L164L155-F159 PolarHBondContact O-N 3.24Å; F159-L164 HydrophobicContact CB-CD1 4.13Å; F159-L164 HydrophobicContact CB-CD2 3.75Å; F159-L164 HydrophobicContact CB-CG 4.24Å; F159-L164 HydrophobicContact CD2-CD1 4.47Å; F159-L164 HydrophobicContact CD2-CD2 3.93Å; F159-L164 HydrophobicContact CG-CD2 3.9Å
160K86.3Confident90.3Very high170 Ų17087.1 Ų87.174%0.73948%0.477SS*.  trans-94.7108.9-171.5-67.7177.7-173.6170.50111.9C156 G157C156-K160 WeakPolarHBondContact O-CG 3.32Å; G157-K160 WeakPolarHBondContact O-CE 3.5Å
161G83.3Confident90.3Very high71 Ų7190.1 Ų90.173%0.73249%0.488SS*.SBendtrans96.7-8177.100000114.5
162D87.2Confident90.4Very high94 Ų9488.2 Ų88.250%0.50350%0.499SS..SBendtrans-83147.8176.8-61.5-51.6000112.3L164 N207D162-L164 PolarHBondContact O-N 3.02Å; D162-N207 WeakPolarHBondContact O-CB 3.31Å; D162-N207 PolarHBondContact O-ND2 3.33Å
163T88.8Confident90.8Very high99 Ų9984.4 Ų84.461%0.60748%0.483SS*.  trans-78107.3171.3-49.70000110.2L205T163-L205 HydrophobicContact CG2-CD1 3.72Å
164L91.6Very high91.1Very high28 Ų2881.9 Ų81.915%0.14747%0.471CS..  trans-92.5128.4-175.2-71.1177.2000113.2L155 F159 D162 V206 N207L155-L164 HydrophobicContact CB-CD1 4.19Å; F159-L164 HydrophobicContact CB-CD1 4.13Å; F159-L164 HydrophobicContact CB-CD2 3.75Å; F159-L164 HydrophobicContact CB-CG 4.24Å; F159-L164 HydrophobicContact CD2-CD1 4.47Å; F159-L164 HydrophobicContact CD2-CD2 3.93Å; F159-L164 HydrophobicContact CG-CD2 3.9Å; D162-L164 PolarHBondContact O-N 3.02Å; L164-V206 HydrophobicContact CB-CB 3.83Å; L164-V206 HydrophobicContact CD1-CB 4.47Å; L164-V206 HydrophobicContact CD1-CG1 4.32Å; L164-V206 PolarHBondContact O-N 3.17Å; L164-N207 HydrophobicContact CB-CB 4.3Å; L164-N207 HydrophobicContact CG-CB 4.49Å
165L91.4Very high91.3Very high111 Ų11183 Ų8358%0.58148%0.477SS*.EExtended strand (participates in β ladder)trans-116.7115.8170.7-62.8176.4000110.1V203 L204 L205L165-V203 HydrophobicContact CB-CG1 4.43Å; L165-V203 HydrophobicContact CD2-CG1 4.4Å; L165-L204 WeakPolarHBondContact CA-O 3.48Å; L165-L205 HydrophobicContact CD2-CB 4.34Å; L165-L205 HydrophobicContact CD2-CD1 3.84Å
166A92.5Very high91.6Very high40 Ų4084.5 Ų84.533%0.33148%0.482SS..EExtended strand (participates in β ladder)trans-92.1121.117100000109.5V203 L204 V206A166-V203 WeakPolarHBondContact O-CA 3.43Å; A166-L204 HydrophobicContact CB-CB 4.38Å; A166-L204 PolarHBondContact N-O 3.37Å; A166-L204 PolarHBondContact O-N 3.14Å; A166-V206 HydrophobicContact CB-CG2 3.88Å
167I94.3Very high91.9Very high76 Ų7687.5 Ų87.539%0.3950%0.5SS..EExtended strand (participates in β ladder)trans-107.7122.5-177.8-60.8158.7000108.6L194 I201 V203I167-L194 HydrophobicContact CD1-CD1 4.03Å; I167-L194 HydrophobicContact CG1-CD1 4.36Å; I167-L194 HydrophobicContact CG2-CD1 3.94Å; I167-I201 HydrophobicContact CG2-CG2 3.98Å; I167-V203 HydrophobicContact CG1-CG1 4.2Å; I167-V203 HydrophobicContact CG1-CG2 4.26Å; I167-V203 HydrophobicContact CG2-CG2 4.5Å
168R93.9Very high91.9Very high180 Ų18088.7 Ų88.768%0.67950%0.5SS*.EExtended strand (participates in β ladder)trans-115.5115.5174.3173.1173.3174-1276.3108.7E202R168-E202 HydrophobicContact CB-CB 4.25Å; R168-E202 WeakPolarHBondContact CD-OE2 3.38Å; R168-E202 IonicContact CZ-OE2 3.66Å; R168-E202 PolarHBondContact N-O 3.38Å; R168-E202 IonicContact NE-OE2 3.91Å; R168-E202 IonicContact NH1-OE2 2.69Å; R168-E202 PolarHBondContact NH1-OE2 2.98Å; R168-E202 PolarHBondContact O-N 3.22Å
169A95.2Very high91.7Very high43 Ų4390 Ų9036%0.35551%0.508SS..  trans-135.9154.1-174.800000111.6T173 I201A169-T173 HydrophobicContact CB-CG2 3.84Å; A169-I201 HydrophobicContact CB-CG1 4.15Å; A169-I201 HydrophobicContact CB-CG2 4.08Å
170P96Very high91.5Very high37 Ų3786.9 Ų86.924%0.2450%0.498CS..  trans-60.6155.1170.9-22.733.5000112.4T173 P200P170-T173 VanDerWaalsContact O-CB 3.3Å; P170-T173 WeakPolarHBondContact O-CB 3.43Å; P170-T173 PolarHBondContact O-N 3.46Å; P170-T173 PolarHBondContact O-OG1 3.07Å; P170-P200 WeakPolarHBondContact CD-O 3.47Å
171I93.1Very high91Very high163 Ų16386.5 Ų86.584%0.83650%0.499SS*.THydrogen-bonded Turntrans-57.6146.3172.567.7172.8000110.8T173I171-T173 PolarHBondContact O-N 3.38Å
172G92.7Very high90.3Very high67 Ų6789.2 Ų89.269%0.69150%0.496SS*.THydrogen-bonded Turntrans75.44.8-174.900000115.3Q174G172-Q174 PolarHBondContact O-N 3.44Å
173T95.6Very high89.6Confident31 Ų3188.2 Ų88.219%0.1949%0.493CS..  trans-62.2125.3169.4-63.50000110.4A169 P170 I171 S196 I201A169-T173 HydrophobicContact CB-CG2 3.84Å; P170-T173 VanDerWaalsContact O-CB 3.3Å; P170-T173 WeakPolarHBondContact O-CB 3.43Å; P170-T173 PolarHBondContact O-N 3.46Å; P170-T173 PolarHBondContact O-OG1 3.07Å; I171-T173 PolarHBondContact O-N 3.38Å; T173-S196 WeakPolarHBondContact OG1-CB 3.13Å; T173-S196 PolarHBondContact OG1-OG 2.89Å; T173-S196 VanDerWaalsContact OG1-OG 3.05Å; T173-I201 HydrophobicContact CG2-CD1 3.64Å; T173-I201 HydrophobicContact CG2-CG1 4.38Å
174Q95.4Very high88.3Confident93 Ų9392 Ų9244%0.43551%0.509SS..EExtended strand (participates in β ladder)trans-78.5127.3177.9-63.2176-33.700109.6G172 L194 K195G172-Q174 PolarHBondContact O-N 3.44Å; Q174-L194 WeakPolarHBondContact O-CA 3.17Å; Q174-K195 HydrophobicContact CB-CB 4.36Å; Q174-K195 PolarHBondContact N-O 3.08Å; Q174-K195 PolarHBondContact O-N 3.19Å
175L95.3Very high87.1Confident107 Ų10797.5 Ų97.556%0.5654%0.538SS*.EExtended strand (participates in β ladder)trans-116.3109.8173.1-172.1162.1000108V177 I192 R193 L194L175-V177 HydrophobicContact CD2-CG2 3.63Å; L175-I192 HydrophobicContact CD2-CG2 4.29Å; L175-I192 HydrophobicContact CG-CG2 4.27Å; L175-R193 WeakPolarHBondContact CA-O 3.47Å; L175-L194 HydrophobicContact CB-CD2 3.97Å; L175-L194 HydrophobicContact CD1-CD2 3.82Å; L175-L194 HydrophobicContact CG-CD2 3.66Å
176E94.6Very high86Confident83 Ų8395 Ų9539%0.38854%0.539SS..EExtended strand (participates in β ladder)trans-107.6129.6178.4-68.4171.2-170.900109.3R193E176-R193 HydrophobicContact CB-CB 4.21Å; E176-R193 PolarHBondContact N-O 2.97Å; E176-R193 PolarHBondContact O-N 3.06Å; E176-R193 WeakPolarHBondContact OE2-CD 3.24Å; E176-R193 IonicContact OE2-NH1 3.66Å; E176-R193 PolarHBondContact OE2-NH1 3.11Å
177V94.3Very high85Confident96 Ų96100.5 Ų100.558%0.58256%0.558SS**  trans-119.397.7169.9-172.50000107.9L175 I192L175-V177 HydrophobicContact CD2-CG2 3.63Å; V177-I192 HydrophobicContact CG2-CG1 4.41Å
178P89.6Confident84.3Confident66 Ų66104.2 Ų104.243%0.42957%0.567SS.*  trans-60.6143.1174.7-2435.4000111.5Q191P178-Q191 WeakPolarHBondContact CD-O 3.43Å
179V86.9Confident83.7Confident133 Ų133102.7 Ų102.781%0.80657%0.566SS**  trans-62128.7172.6-178.30000108.2E181V179-E181 PolarHBondContact O-N 3Å; V179-E181 VanDerWaalsContact O-N 3.08Å
180P83.8Confident83.4Confident36 Ų36108.6 Ų108.623%0.23458%0.58CS.*  trans-73.2104.5-174.129.8-37000111.3R188 K189 Y190P180-R188 HydrophobicContact CB-CB 4.27Å; P180-R188 HydrophobicContact CB-CG 4.49Å; P180-K189 WeakPolarHBondContact CB-O 3.45Å; P180-Y190 HydrophobicContact CB-CD1 4.1Å; P180-Y190 HydrophobicContact CB-CE1 4.11Å; P180-Y190 HydrophobicContact CB-CG 4.49Å; P180-Y190 HydrophobicContact CG-CD1 3.98Å; P180-Y190 HydrophobicContact CG-CE1 3.64Å
181E75.4Confident83Confident163 Ų163111.1 Ų111.176%0.76259%0.589SS**  trans-56.1141.4174-66.9177.3179.100111.7V179 V183V179-E181 PolarHBondContact O-N 3Å; V179-E181 VanDerWaalsContact O-N 3.08Å; E181-V183 PolarHBondContact O-N 3.04Å
182L68.5Low83.1Confident127 Ų127108.6 Ų108.667%0.66558%0.575SS**BIsolated β-bridgetrans-75.692.9167.7-100.571.4000108.8R188L182-R188 HydrophobicContact CD1-CG 3.79Å; L182-R188 HydrophobicContact CG-CG 4.49Å
183V72.9Confident83.1Confident74 Ų74111.7 Ų111.745%0.44857%0.566SS.*  trans-55.6140.6166.3-173.50000108.5E181 N185 G186E181-V183 PolarHBondContact O-N 3.04Å; V183-N185 PolarHBondContact O-N 3.41Å; V183-G186 PolarHBondContact O-N 3.36Å
184L62.2Low83.1Confident178 Ų178112.9 Ų112.993%0.93257%0.571SS**THydrogen-bonded Turntrans-51.3-18.4-177.9-69165.9000114.9G186L184-G186 VanDerWaalsContact C-N 3.34Å
185N65.6Low83Confident143 Ų143113.8 Ų113.877%0.76557%0.574SS**THydrogen-bonded Turntrans-89.710177.2-59.2-1000113.5V183 Q187V183-N185 PolarHBondContact O-N 3.41Å; N185-Q187 VanDerWaalsContact C-N 3.26Å; N185-Q187 PolarHBondContact O-N 3.38Å
186G68.8Low83Confident59 Ų59110.1 Ų110.161%0.60856%0.557SS**SBendtrans76.6-3.6176.100000116.3V183 L184V183-G186 PolarHBondContact O-N 3.36Å; L184-G186 VanDerWaalsContact C-N 3.34Å
187Q71Confident82.9Confident156 Ų156112.2 Ų112.273%0.72958%0.575SS**  trans-90.1120.4178.4-66.2-159.5-17.200111.8N185 K189N185-Q187 VanDerWaalsContact C-N 3.26Å; N185-Q187 PolarHBondContact O-N 3.38Å; Q187-K189 PolarHBondContact O-N 3.15Å
188R78.9Confident82.8Confident153 Ų153111.8 Ų111.858%0.57758%0.577SS**BIsolated β-bridgetrans-77.3115.7170.8-82.3178.3-86.1-136.8-2.4109.8P180 L182 Y190P180-R188 HydrophobicContact CB-CB 4.27Å; P180-R188 HydrophobicContact CB-CG 4.49Å; L182-R188 HydrophobicContact CD1-CG 3.79Å; L182-R188 HydrophobicContact CG-CG 4.49Å; R188-Y190 HydrophobicContact CB-CE2 3.92Å
189K82.3Confident83Confident149 Ų149110.2 Ų110.265%0.64857%0.572SS**  trans-92114.2174.2-176.1-173.9175.6-168.70109.7P180 Q187P180-K189 WeakPolarHBondContact CB-O 3.45Å; Q187-K189 PolarHBondContact O-N 3.15Å
190Y87.6Confident83.3Confident166 Ų166109.7 Ų109.765%0.65157%0.572SS**  trans-87.2143.7172-59.3-93.2000109.9P180 R188P180-Y190 HydrophobicContact CB-CD1 4.1Å; P180-Y190 HydrophobicContact CB-CE1 4.11Å; P180-Y190 HydrophobicContact CB-CG 4.49Å; P180-Y190 HydrophobicContact CG-CD1 3.98Å; P180-Y190 HydrophobicContact CG-CE1 3.64Å; R188-Y190 HydrophobicContact CB-CE2 3.92Å
191Q89.4Confident83.9Confident91 Ų91110.5 Ų110.543%0.42557%0.574SS.*  trans-142.2140.9175.5-178.7163.8-10.700109.8P178P178-Q191 WeakPolarHBondContact CD-O 3.43Å
192I93.6Very high84.8Confident109 Ų109106.7 Ų106.756%0.55956%0.556SS**  trans-115.3133.5167-55.6175.3000106.2L175 V177 L194L175-I192 HydrophobicContact CD2-CG2 4.29Å; L175-I192 HydrophobicContact CG-CG2 4.27Å; V177-I192 HydrophobicContact CG2-CG1 4.41Å; I192-L194 HydrophobicContact CG2-CD2 4.4Å; I192-L194 HydrophobicContact CG2-CG 4.36Å
193R93.1Very high86Confident132 Ų132104.2 Ų104.250%0.49855%0.546SS..EExtended strand (participates in β ladder)trans-119.2128.7174.9173-173.3-79177.6-1.4108.5L175 E176L175-R193 WeakPolarHBondContact CA-O 3.47Å; E176-R193 HydrophobicContact CB-CB 4.21Å; E176-R193 PolarHBondContact N-O 2.97Å; E176-R193 PolarHBondContact O-N 3.06Å; E176-R193 WeakPolarHBondContact OE2-CD 3.24Å; E176-R193 IonicContact OE2-NH1 3.66Å; E176-R193 PolarHBondContact OE2-NH1 3.11Å
194L94.9Very high86.9Confident56 Ų56105.1 Ų105.129%0.29355%0.548SS..EExtended strand (participates in β ladder)trans-117.7130.8179.6-63.1168.3000108.6I167 Q174 L175 I192 I201I167-L194 HydrophobicContact CD1-CD1 4.03Å; I167-L194 HydrophobicContact CG1-CD1 4.36Å; I167-L194 HydrophobicContact CG2-CD1 3.94Å; Q174-L194 WeakPolarHBondContact O-CA 3.17Å; L175-L194 HydrophobicContact CB-CD2 3.97Å; L175-L194 HydrophobicContact CD1-CD2 3.82Å; L175-L194 HydrophobicContact CG-CD2 3.66Å; I192-L194 HydrophobicContact CG2-CD2 4.4Å; I192-L194 HydrophobicContact CG2-CG 4.36Å; L194-I201 HydrophobicContact CB-CD1 3.76Å; L194-I201 HydrophobicContact CD1-CG2 4.41Å
195K94.3Very high88.2Confident113 Ų113101 Ų10149%0.49153%0.526SS..EExtended strand (participates in β ladder)trans-141110.8-179.1177.9-176.4166-150.70110.1Q174Q174-K195 HydrophobicContact CB-CB 4.36Å; Q174-K195 PolarHBondContact N-O 3.08Å; Q174-K195 PolarHBondContact O-N 3.19Å
196S94.8Very high89.1Confident30 Ų3095.5 Ų95.521%0.2150%0.498CS..  trans-104.7141.7173.5-165.70000110.4T173 S198 G199T173-S196 WeakPolarHBondContact OG1-CB 3.13Å; T173-S196 PolarHBondContact OG1-OG 2.89Å; T173-S196 VanDerWaalsContact OG1-OG 3.05Å; S196-S198 PolarHBondContact OG-N 3.23Å; S196-G199 VanDerWaalsContact CB-O 3.26Å; S196-G199 WeakPolarHBondContact CB-O 3.33Å; S196-G199 PolarHBondContact OG-O 2.78Å
197T92.5Very high89.4Confident126 Ų12694.4 Ų94.477%0.77348%0.478SS*.SBendtrans-104.1-15.3170.1500000112.4
198S92.7Very high89Confident88 Ų8892 Ų9262%0.61547%0.465SS*.SBendtrans-103.4-7.3-170.4-172.70000114.4S196S196-S198 PolarHBondContact OG-N 3.23Å
199G92.8Very high87.9Confident32 Ų3288.7 Ų88.733%0.3346%0.459SS..SBendtrans166.5179.1-179.500000113.8S196S196-G199 VanDerWaalsContact CB-O 3.26Å; S196-G199 WeakPolarHBondContact CB-O 3.33Å; S196-G199 PolarHBondContact OG-O 2.78Å
200P95.1Very high86.6Confident123 Ų12388.2 Ų88.280%0.79947%0.471SS*.  trans-68.4155.7177.930.3-35.8000112.1P170P170-P200 WeakPolarHBondContact CD-O 3.47Å
201I95.5Very high85Confident53 Ų5385.7 Ų85.727%0.27248%0.478SS..  trans-107.7129.4173.6-55.8178.7000108.3I167 A169 T173 L194 V203I167-I201 HydrophobicContact CG2-CG2 3.98Å; A169-I201 HydrophobicContact CB-CG1 4.15Å; A169-I201 HydrophobicContact CB-CG2 4.08Å; T173-I201 HydrophobicContact CG2-CD1 3.64Å; T173-I201 HydrophobicContact CG2-CG1 4.38Å; L194-I201 HydrophobicContact CB-CD1 3.76Å; L194-I201 HydrophobicContact CD1-CG2 4.41Å; I201-V203 HydrophobicContact CG2-CG2 4.15Å
202E94.4Very high83Confident82 Ų8285.1 Ų85.138%0.38348%0.484SS..EExtended strand (participates in β ladder)trans-102.1134.3176.1177.9175.1-151.500109.4R168 L204R168-E202 HydrophobicContact CB-CB 4.25Å; R168-E202 WeakPolarHBondContact CD-OE2 3.38Å; R168-E202 IonicContact CZ-OE2 3.66Å; R168-E202 PolarHBondContact N-O 3.38Å; R168-E202 IonicContact NE-OE2 3.91Å; R168-E202 IonicContact NH1-OE2 2.69Å; R168-E202 PolarHBondContact NH1-OE2 2.98Å; R168-E202 PolarHBondContact O-N 3.22Å; E202-L204 HydrophobicContact CG-CD2 4.3Å; E202-L204 HydrophobicContact CG-CG 4.38Å
203V94.1Very high80.5Confident75 Ų7583.9 Ų83.946%0.45549%0.489SS..EExtended strand (participates in β ladder)trans-133.4123.3179.7-173.90000109.3L165 A166 I167 I201L165-V203 HydrophobicContact CB-CG1 4.43Å; L165-V203 HydrophobicContact CD2-CG1 4.4Å; A166-V203 WeakPolarHBondContact O-CA 3.43Å; I167-V203 HydrophobicContact CG1-CG1 4.2Å; I167-V203 HydrophobicContact CG1-CG2 4.26Å; I167-V203 HydrophobicContact CG2-CG2 4.5Å; I201-V203 HydrophobicContact CG2-CG2 4.15Å
204L90.5Very high77.7Confident93 Ų9381.5 Ų81.549%0.48750%0.498SS..EExtended strand (participates in β ladder)trans-114.5124.4-175.8-57.3173.3000110L165 A166 E202 V206L165-L204 WeakPolarHBondContact CA-O 3.48Å; A166-L204 HydrophobicContact CB-CB 4.38Å; A166-L204 PolarHBondContact N-O 3.37Å; A166-L204 PolarHBondContact O-N 3.14Å; E202-L204 HydrophobicContact CG-CD2 4.3Å; E202-L204 HydrophobicContact CG-CG 4.38Å; L204-V206 PolarHBondContact O-N 3.02Å
205L90.4Very high75.2Confident91 Ų9184 Ų8448%0.47652%0.518SS..EExtended strand (participates in β ladder)trans-78.6109.8169.4178.866.6000108.8T163 L165 N207 K208T163-L205 HydrophobicContact CG2-CD1 3.72Å; L165-L205 HydrophobicContact CD2-CB 4.34Å; L165-L205 HydrophobicContact CD2-CD1 3.84Å; L205-N207 WeakPolarHBondContact CD1-O 3.46Å; L205-K208 HydrophobicContact CD2-CB 3.91Å; L205-K208 HydrophobicContact CD2-CG 3.98Å; L205-K208 HydrophobicContact CG-CB 4.34Å
206V85.2Confident73Confident28 Ų2884.4 Ų84.417%0.1753%0.529CS..  trans-88.5-44.3-173.6-1790000111.5H152 L155 L164 A166 L204H152-V206 PolarHBondContact CE1-O 3.23Å; H152-V206 WeakPolarHBondContact ND1-CG1 3.42Å; H152-V206 PolarHBondContact ND1-O 3.21Å; L155-V206 HydrophobicContact CB-CG1 4.3Å; L155-V206 HydrophobicContact CD1-CG1 4Å; L155-V206 HydrophobicContact CD1-CG2 4.32Å; L164-V206 HydrophobicContact CB-CB 3.83Å; L164-V206 HydrophobicContact CD1-CB 4.47Å; L164-V206 HydrophobicContact CD1-CG1 4.32Å; L164-V206 PolarHBondContact O-N 3.17Å; A166-V206 HydrophobicContact CB-CG2 3.88Å; L204-V206 PolarHBondContact O-N 3.02Å
207N74.7Confident70.6Confident36 Ų3689.2 Ų89.219%0.19356%0.557CS.*  trans-103.4109.2173.7-173.517.9000109.5D162 L164 L205D162-N207 WeakPolarHBondContact O-CB 3.31Å; D162-N207 PolarHBondContact O-ND2 3.33Å; L164-N207 HydrophobicContact CB-CB 4.3Å; L164-N207 HydrophobicContact CG-CB 4.49Å; L205-N207 WeakPolarHBondContact CD1-O 3.46Å
208K61.9Low68.3Low105 Ų10588.9 Ų88.946%0.45755%0.55SS.*  trans-115.1114.9174.1-173.6-166.5175.9-170.20109.5L205 S212L205-K208 HydrophobicContact CD2-CB 3.91Å; L205-K208 HydrophobicContact CD2-CG 3.98Å; L205-K208 HydrophobicContact CG-CB 4.34Å; K208-S212 PolarHBondContact NZ-O 2.82Å
209D56.8Low66.1Low85 Ų8589.5 Ų89.546%0.45555%0.552SS.*  trans-57127.5171.4-67.9-72.1000111.6S211 S212D209-S211 PolarHBondContact O-N 3.46Å; D209-S212 PolarHBondContact O-N 2.93Å
210P53.5Low64.1Low139 Ų13994.5 Ų94.590%0.90358%0.576SS**THydrogen-bonded Turntrans-71.7-0.6-177.629-35.5000114.1
211S55.3Low61.7Low113 Ų11394.1 Ų94.179%0.7957%0.573SS**THydrogen-bonded Turntrans-91.2-16.1174.257.70000113.8D209D209-S211 PolarHBondContact O-N 3.46Å
212S46.8Very low59.3Low79 Ų7995.1 Ų95.155%0.55258%0.583SS**SBendtrans-85.1132.7-177.6-166.70000112.1K208 D209K208-S212 PolarHBondContact NZ-O 2.82Å; D209-S212 PolarHBondContact O-N 2.93Å
213A40.3Very low57.4Low82 Ų8295.8 Ų95.868%0.67860%0.595SS**  trans-61.4175-172.300000113.9
214A36.3Very low55.4Low82 Ų8298.5 Ų98.568%0.67861%0.607SS**  trans-58.6140-177.900000111.9V216A214-V216 PolarHBondContact O-N 3.45Å
215P42Very low53.7Low109 Ų109101 Ų10171%0.70862%0.621SS**  trans-66.7120.1-177.627.7-34.2000110.8V217P215-V217 PolarHBondContact O-N 3.43Å
216V47.5Very low51.8Low121 Ų121102.1 Ų102.173%0.73363%0.631SS**  trans-79.3106.4172.8-172.30000108.3A214 L218A214-V216 PolarHBondContact O-N 3.45Å; V216-L218 HydrophobicContact CG1-CD2 4.03Å; V216-L218 HydrophobicContact CG1-CG 3.96Å; V216-L218 PolarHBondContact O-N 3.27Å; V216-L218 VanDerWaalsContact O-N 3.11Å
217V45.2Very low49.9Very low131 Ų131107.4 Ų107.479%0.79466%0.658SS**  trans-77.394.9173.1-178.50000108.6P215P215-V217 PolarHBondContact O-N 3.43Å
218L43.8Very low48.6Very low120 Ų120113.7 Ų113.763%0.62869%0.685SS**PPolyproline II helixtrans-93.1119.1167.3-66.7179.8000109.6V216V216-L218 HydrophobicContact CG1-CD2 4.03Å; V216-L218 HydrophobicContact CG1-CG 3.96Å; V216-L218 PolarHBondContact O-N 3.27Å; V216-L218 VanDerWaalsContact O-N 3.11Å
219P47.3Very low47.7Very low101 Ų101115.8 Ų115.866%0.65670%0.702SS**PPolyproline II helixtrans-59.5138.1160-19.132.6000109.6P221P219-P221 CarbonylContact O-C 3.51Å; P219-P221 VanDerWaalsContact O-C 3.32Å
220V48.9Very low46.7Very low137 Ų137119.5 Ų119.583%0.8372%0.721SS**SBendtrans-93.2126.3167.9179.80000107.3
221P44.5Very low45.8Very low114 Ų114119 Ų11974%0.7472%0.717SS**SBendcis-86.2148.35-6.125.8000114.1P219P219-P221 CarbonylContact O-C 3.51Å; P219-P221 VanDerWaalsContact O-C 3.32Å
222P46Very low44.7Very low75 Ų75117.9 Ų117.949%0.48772%0.715SS.*PPolyproline II helixtrans-79.1151.6171.133.8-35000112.4
223P54Low44.2Very low96 Ų96120.4 Ų120.462%0.62373%0.73SS**PPolyproline II helixtrans-80.8156173.833.3-35.3000113.2D225P223-D225 VanDerWaalsContact C-N 3.35Å; P223-D225 PolarHBondContact O-N 3.42Å
224D53.5Low43.7Very low132 Ų132123.3 Ų123.371%0.70674%0.739SS**G310 helixtrans-68.9-17.6-167.3-60.5-82.6000116.7V226 L227D224-V226 PolarHBondContact O-N 2.87Å; D224-L227 PolarHBondContact O-N 3.45Å
225D53.1Low43.5Very low146 Ų146123.5 Ų123.578%0.78174%0.741SS**G310 helixtrans-62-16.8-171.3-73.9-55.7000115.1P223P223-D225 VanDerWaalsContact C-N 3.35Å; P223-D225 PolarHBondContact O-N 3.42Å
226V50.8Low42.9Very low114 Ų114124 Ų12469%0.69174%0.742SS**G310 helixtrans-82.5-8.9-179.5-72.30000114.7D224 H228D224-V226 PolarHBondContact O-N 2.87Å; V226-H228 PolarHBondContact O-N 3.3Å
227L46.6Very low42.1Very low139 Ų139126.4 Ų126.473%0.72875%0.745SS**G310 helixtrans-77.9-12.9-175.6-68.2176.6000115.1D224D224-L227 PolarHBondContact O-N 3.45Å
228H46Very low41.2Very low168 Ų168127 Ų12778%0.77875%0.749SS**G310 helixtrans-102.9-6.2-166.7-80.893.4000116.8V226V226-H228 PolarHBondContact O-N 3.3Å
229N43.3Very low40.4Very low149 Ų149127.6 Ų127.680%0.79776%0.758SS**  trans-121.375.2-173.6-86.5-33.4000113.8
230L36Very low40.4Very low163 Ų163128.3 Ų128.385%0.85376%0.762SS**  trans-136.2110.1168.6-91.9159.8000110.4
231P35.3Very low39.2Very low127 Ų127131.2 Ų131.283%0.82577%0.767SS**PPolyproline II helixtrans-70.4138.2174.5-18.332.2000112.2
232A32.2Very low38.4Very low90 Ų90130.1 Ų130.174%0.74477%0.768SS**PPolyproline II helixtrans-72.8150.4174.800000112.2
233P35.8Very low38.6Very low133 Ų133132.1 Ų132.186%0.86478%0.781SS**PPolyproline II helixtrans-81.5141.8-17832.6-35000113.1
234T29.4Very low37.4Very low142 Ų142137.9 Ų137.987%0.87180%0.796SS**  trans-122137.7169.9-49.60000109.6
235A32Very low36.1Very low87 Ų87139.4 Ų139.472%0.71980%0.803SS**  trans-102.3174.4-175.900000113.5
236T29.2Very low34.7Very low120 Ų120136.6 Ų136.674%0.73679%0.794SS**  trans11496.1153.8-43.30000117.6
237Q30.9Very low33.5Very low171 Ų171140.1 Ų140.180%0.79980%0.8SS**  trans41.8132.2134.3-49.8175.230.900122
238T27Very low33.1Very low143 Ų143139.2 Ų139.288%0.87780%0.803SS**  -173.1158.6114.8200000113.3
239T27.2Very low32.2Very low133 Ų133139.6 Ų139.682%0.81680%0.804SS**  trans-152.6-176.8177.461.20000108.3
240P46.3Very low32Very low115 Ų115138.6 Ų138.675%0.74781%0.806SS**  cis-128.4-178.6-25.336.8-21.1000112.8
241Q25.1Very low31.6Very low199 Ų199135.3 Ų135.393%0.9380%0.802SS**  trans-157.9149.1149.8-124178.947.600114.8
242A26.5Very low31.4Very low91 Ų91137.6 Ų137.675%0.75281%0.806SS**  trans-169.8-173.8178.100000108.7
243P50.8Low31.2Very low117 Ų117142.3 Ų142.376%0.7681%0.809SS**  cis-125.5176.5-30.739.7-26.5000112.7
244K28Very low31.5Very low217 Ų217141.8 Ų141.894%0.94381%0.806SS**  trans-146.6171.2154.8-75.9-155.3176.6179.30112.6
245L26.1Very low31.5Very low164 Ų164139.9 Ų139.986%0.85981%0.805SS**  trans-145.7153.5-146.6-171.575.8000115.6
246C24.4Very low31.3Very low86 Ų86140.5 Ų140.558%0.58181%0.81SS**  trans88.4111150.2-98.30000123.8
247K26.4Very low31.3Very low188 Ų188139.5 Ų139.582%0.81781%0.814SS**  66.2169125.4-67.6-179.7-175.5177.70120
248P36.6Very low31.1Very low121 Ų121137.8 Ų137.879%0.78682%0.815SS**  cis-127.8-175.4-3.438-19.4000116.4
249H29Very low32Very low176 Ų176137.1 Ų137.182%0.81581%0.813SS**  trans-80.6168.5169.3-87.4-79.2000113.8
250P39Very low32Very low128 Ų128134.4 Ų134.483%0.83181%0.812SS**  -130.7-171.5103.438.5-30.5000114.2
251A27Very low31.2Very low94 Ų94133.6 Ų133.678%0.77781%0.814SS**  trans-147.7161.9-168.100000114.6
252I30.4Very low31.3Very low175 Ų175128.9 Ų128.990%0.89781%0.809SS**  trans-138.1153.1169.6-64.9-175.7000110
253K29.1Very low31.4Very low188 Ų188129 Ų12982%0.81781%0.81SS**  trans-132.4161.1-178.6-121.1-176-177.4-175.50109.7
254P41.1Very low30.3Very low122 Ų122128.1 Ų128.179%0.79281%0.813SS**  -129.9-144.473.127.3-3.8000110.9
255A29.1Very low30.4Very low102 Ų102124.2 Ų124.284%0.84381%0.808SS**  cis-150-127.66.200000113.1
256A28.6Very low31.2Very low101 Ų101122.6 Ų122.684%0.83581%0.807SS**  trans-137.8171.9-168.800000111
257A28Very low31.3Very low98 Ų98122.3 Ų122.381%0.8182%0.819SS**  cis-149.4170.211.600000113.6
258T28.3Very low31.4Very low136 Ų136118.6 Ų118.683%0.83482%0.823SS**  trans-101.5-174.2172.918.90000111.4
259P45.1Very low31.1Very low129 Ų129118 Ų11884%0.83883%0.828SS**  cis-131.8-178-7.134.3-14.1000115.4
260G27.8Very low31Very low76 Ų76114.4 Ų114.478%0.78483%0.829SS**  trans-177.8117.9162.900000114.9
261A28.7Very low30.5Very low97 Ų97112.4 Ų112.480%0.80282%0.824SS**  trans-44.5148.7-178.300000116.3
262A26.8Very low30.9Very low100 Ų100114.4 Ų114.483%0.82683%0.826SS**  66.8138.350.800000113.4
263A28.5Very low31.4Very low93 Ų93112.2 Ų112.277%0.76982%0.823SS**  cis-155.7164.814.300000115.3
264A28.8Very low31.3Very low99 Ų99107 Ų10782%0.81882%0.823SS**  trans54.4117.7135.300000123.6
265T29.3Very low30.7Very low136 Ų136106.2 Ų106.283%0.83483%0.827SS**  trans-80178.6134.844.60000110.1
266P42.3Very low30.6Very low129 Ų129106.6 Ų106.684%0.83883%0.83SS**  cis-130.9-173.94.243.3-27000114.8
267G27.3Very low30.6Very low81 Ų81106.7 Ų106.784%0.83583%0.831SS**  trans179124.516400000112.8
268A28.6Very low30.7Very low109 Ų109106.7 Ų106.790%0.90183%0.831SS**  trans-119.4140.4176.600000110.7
269A29.9Very low30.5Very low109 Ų109108 Ų10890%0.90183%0.832SS**  trans-151.2153.6172.400000109.5
270A28.4Very low29.8Very low100 Ų100106.8 Ų106.883%0.82683%0.834SS**  trans-102.1153.7-170.700000113.5
271A28.4Very low29.8Very low87 Ų87109 Ų10972%0.71984%0.837SS**  trans-76.5164153.400000109
272T33.6Very low29.8Very low136 Ų136109.5 Ų109.583%0.83484%0.841SS**  cis-139.5-156.619.1-12.50000107.7
273P42.3Very low29.8Very low128 Ų128109.8 Ų109.883%0.83184%0.844SS**  cis-134-173.310.444.3-25.2000115.7
274G26.1Very low29.9Very low78 Ų78110.2 Ų110.280%0.80485%0.847SS**  trans166.5127.2164.600000112.6
275A28Very low29.7Very low107 Ų107113.2 Ų113.288%0.88485%0.85SS**  trans-142.1145.4-179.700000111.8
276A26.9Very low29.6Very low110 Ų110113.2 Ų113.291%0.90985%0.854SS**  trans-166.5161.7162.400000109.7
277A28.7Very low28.8Very low102 Ų102111.8 Ų111.884%0.84385%0.852SS**  trans-136.4159.8178.700000111
278A30Very low28.7Very low99 Ų99112.6 Ų112.682%0.81885%0.851SS**  trans-176.4153.5152.500000111.9
279D25.2Very low28.7Very low162 Ų162112.1 Ų112.187%0.86685%0.848SS**  trans-73.7159.9174.7-55.8-97.1000114.8
280A30.7Very low28.7Very low105 Ų105113.2 Ų113.287%0.86884%0.843SS**  -167.5148.812700000112.2
281S27.1Very low28.8Very low121 Ų121114.3 Ų114.385%0.84684%0.841SS**  trans-92.9150.1-179.358.70000114.2
282A29.3Very low28.8Very low108 Ų108118 Ų11889%0.89384%0.844SS**  trans-144.1143.3152.700000109.9
283A26.7Very low28.3Very low107 Ų107118.8 Ų118.888%0.88484%0.838SS**  trans-117.4150-177.900000111.5
284A31.1Very low27.7Very low102 Ų102120.3 Ų120.384%0.84384%0.838SS**  trans-153.1143.6166.900000109.8
285D24.6Very low27.8Very low162 Ų162124 Ų12487%0.86684%0.835SS**  trans-65.5150.1176.5-71.7-77.2000113.3
286C26.8Very low27.7Very low136 Ų136124.3 Ų124.392%0.91983%0.83SS**  -161.5156125.5-109.80000110.4
287A24.6Very low27.8Very low98 Ų98124.7 Ų124.781%0.8183%0.826SS**  trans-114.8171.2-17100000113.5
288A25.8Very low27.9Very low98 Ų98125 Ų12581%0.8183%0.828SS**  trans97.2148150.600000120.9
289A27.8Very low27.6Very low100 Ų100125.8 Ų125.883%0.82683%0.828SS**  trans83.2129.6151.500000120.5
290V29.8Very low28Very low131 Ų131126.7 Ų126.779%0.79483%0.832SS**  trans-98.7135.5172.5170.70000109.4
291P31.9Very low27.9Very low123 Ų123129.6 Ų129.680%0.79983%0.833SS**  trans-94.1106156.632.7-24.8000108.7
292Q28.2Very low28Very low164 Ų164127 Ų12777%0.76683%0.826SS**  83.410162.2-170.4170.7-12.400113.3
293Q23.8Very low27.9Very low153 Ų153127.3 Ų127.372%0.71582%0.821SS**  trans-64.4146.3168.8174.5-175.1-9.900111.8Q295Q293-Q295 HydrophobicContact CG-CG 4.47Å
294L28.3Very low28.1Very low161 Ų161126.7 Ų126.784%0.84382%0.816SS**  trans-117.7135.3168.3-80.1171.1000110.8
295Q27.9Very low28Very low155 Ų155127 Ų12772%0.72481%0.812SS**  trans-124.6138.1173.9-61.7178.5-68.800109.6Q293Q293-Q295 HydrophobicContact CG-CG 4.47Å
296S26.9Very low28.2Very low114 Ų114125.1 Ų125.180%0.79781%0.811SS**  trans-172.3121.7140.4-81.80000107.7
297S28.7Very low28.5Very low118 Ų118123.8 Ų123.883%0.82581%0.811SS**  8799.750.9-660000112.8
298A30.1Very low28.6Very low107 Ų107122.5 Ų122.588%0.88481%0.807SS**  trans-144131.4157.500000107.8
299S25.6Very low28.6Very low117 Ų117128.3 Ų128.382%0.81881%0.814SS**  trans-155.7126-178.5-178.70000109.9
300L32.8Very low28.7Very low181 Ų181131.8 Ų131.895%0.94881%0.813SS**  trans-148.1153.7166.3-75.4-177.6000108.9
301D28.8Very low29.1Very low165 Ų165131.4 Ų131.488%0.88281%0.813SS**  trans-115.5160.7-166.7-172.610.4000111.6
302G28.8Very low28.8Very low67 Ų67131.6 Ų131.669%0.69181%0.812SS**  trans179.233.5-168.900000121.8
303S28.2Very low28.7Very low115 Ų115133 Ų13380%0.80482%0.816SS**  trans54.2111.6154.7-67.60000122.7
304A29.6Very low29.2Very low93 Ų93131.1 Ų131.177%0.76982%0.819SS**  trans63.7119130.800000122.6
305S29.9Very low29.2Very low110 Ų110131 Ų13177%0.76982%0.819SS**  -178.1133.9100.1-78.30000115.9
306S29.2Very low30.2Very low121 Ų121128.5 Ų128.585%0.84682%0.817SS**  trans67.1152156.7710000120.7
307A31.7Very low30.8Very low109 Ų109128.4 Ų128.490%0.90182%0.816SS**  trans57104.4174.800000117.3
308G27.1Very low30.9Very low71 Ų71131.8 Ų131.873%0.73282%0.819SS**  cis134.164.8-7.700000115.3
309F26.3Very low31.3Very low219 Ų219133.9 Ų133.996%0.96182%0.815SS**  trans-154.7142.7150.6-119.6-83.8000108.6
310Q30.1Very low31.9Very low174 Ų174135.9 Ų135.981%0.81382%0.815SS**  trans-119.7150.9177.6-96.7-161.7-10.900112
311P37.2Very low32Very low122 Ų122133.4 Ų133.479%0.79280%0.803SS**  trans-83.9144.317934.4-34.4000112
312V26.4Very low32.4Very low127 Ų127133.6 Ų133.677%0.7780%0.796SS**  trans-136.2113.3173.6-178.40000111.3
313K25.6Very low33.4Very low194 Ų194133.8 Ų133.884%0.84379%0.785SS**  trans31.6125.9148.4-58.2-179.7179.3-1780120.5
314S34.2Very low34.3Very low113 Ų113135.9 Ų135.979%0.7978%0.78SS**  trans-73.1136.9147.453.20000112.3
315D27.8Very low35.1Very low158 Ų158138.5 Ų138.585%0.84578%0.776SS**  trans-153.8169.7149.9-114.5-22.3000107.3
316P48.8Very low36Very low103 Ų103137.3 Ų137.367%0.66976%0.761SS**  trans-110.4170-140.340.3-36.7000115.7
317S39.7Very low37Very low113 Ų113135.6 Ų135.679%0.7975%0.749SS**  trans81.981.2168.9-35.70000116.1
318E31.5Very low37.7Very low188 Ų188136.1 Ų136.188%0.87973%0.733SS**  -121.9130.7128.9-74.1-153.4129.400109.2L320E318-L320 PolarHBondContact O-N 3.08Å
319L38.6Very low38.7Very low152 Ų152138.5 Ų138.580%0.79673%0.726SS**  trans-86.3104.6176.8-175.5163.5000106.3D321L319-D321 PolarHBondContact O-N 2.89Å
320L36.7Very low39.6Very low158 Ų158136.4 Ų136.483%0.82772%0.717SS**PPolyproline II helixtrans-64.7116.9172.5-67.8179.2000108.6E318 F322E318-L320 PolarHBondContact O-N 3.08Å; L320-F322 PolarHBondContact O-N 3.34Å
321D36.1Very low40.3Very low130 Ų130132 Ų13270%0.69570%0.699SS**PPolyproline II helixtrans-61.7128.7-171-142.1-5.6000110.1L319L319-D321 PolarHBondContact O-N 2.89Å
322F37.3Very low40.5Very low169 Ų169132.1 Ų132.174%0.74170%0.7SS**PPolyproline II helixtrans-66.6127178.3-116.3-102.2000108.7L320 K324L320-F322 PolarHBondContact O-N 3.34Å; F322-K324 PolarHBondContact O-N 3.48Å; F322-K324 VanDerWaalsContact O-N 3.09Å
323P48.8Very low41.7Very low71 Ų71131.6 Ų131.646%0.46170%0.697SS.*PPolyproline II helixtrans-57.4119.1-179.7-2634.5000111.2E325 L326P323-E325 PolarHBondContact O-N 3.08Å; P323-E325 VanDerWaalsContact O-N 3.17Å; P323-L326 HydrophobicContact CB-CD1 4.46Å; P323-L326 HydrophobicContact CB-CG 4.35Å; P323-L326 HydrophobicContact CG-CD1 4.48Å; P323-L326 WeakPolarHBondContact O-CB 3.33Å; P323-L326 PolarHBondContact O-N 3.13Å
324K46.9Very low42.9Very low158 Ų158128.5 Ų128.569%0.68768%0.684SS**THydrogen-bonded Turntrans-61.7-26-176.1-76175.8-179.7163.90112.3F322 L326 S327F322-K324 PolarHBondContact O-N 3.48Å; F322-K324 VanDerWaalsContact O-N 3.09Å; K324-L326 PolarHBondContact O-N 3.28Å; K324-S327 WeakPolarHBondContact O-CB 3.43Å; K324-S327 PolarHBondContact O-N 3.27Å; K324-S327 PolarHBondContact O-OG 2.68Å
325E47.5Very low43.7Very low149 Ų149132.2 Ų132.270%0.69669%0.689SS**Hα-helixtrans-55.8-34.4173.5-65.8105172.500112.7P323 S327 E328P323-E325 PolarHBondContact O-N 3.08Å; P323-E325 VanDerWaalsContact O-N 3.17Å; E325-S327 PolarHBondContact O-N 3.45Å; E325-E328 PolarHBondContact O-N 2.98Å
326L49.5Very low44.6Very low84 Ų84133.5 Ų133.544%0.4469%0.692SS.*Hα-helixtrans-68.9-20177.9-60.4179.2000113.1P323 K324 M329P323-L326 HydrophobicContact CB-CD1 4.46Å; P323-L326 HydrophobicContact CB-CG 4.35Å; P323-L326 HydrophobicContact CG-CD1 4.48Å; P323-L326 WeakPolarHBondContact O-CB 3.33Å; P323-L326 PolarHBondContact O-N 3.13Å; K324-L326 PolarHBondContact O-N 3.28Å; L326-M329 HydrophobicContact CB-CE 4.1Å; L326-M329 HydrophobicContact CD2-CE 3.65Å; L326-M329 HydrophobicContact CD2-SD 3.77Å; L326-M329 HydrophobicContact CG-CE 4.48Å
327S48.9Very low44.5Very low86 Ų86135.4 Ų135.460%0.60169%0.693SS**Hα-helixtrans-81.7-24.917771.70000113.4K324 E325 M329K324-S327 WeakPolarHBondContact O-CB 3.43Å; K324-S327 PolarHBondContact O-N 3.27Å; K324-S327 PolarHBondContact O-OG 2.68Å; E325-S327 PolarHBondContact O-N 3.45Å; S327-M329 VanDerWaalsContact C-N 3.31Å
328E47.3Very low45.3Very low119 Ų119134.2 Ų134.256%0.55668%0.683SS**Hα-helixtrans-77.1-18.3176.7-59.3-143130.600112.8E325 F330 D331 K334E325-E328 PolarHBondContact O-N 2.98Å; E328-F330 PolarHBondContact O-N 3.09Å; E328-F330 VanDerWaalsContact O-N 3.13Å; E328-D331 PolarHBondContact O-N 2.93Å; E328-K334 IonicContact OE1-NZ 3.95Å; E328-K334 PolarHBondContact OE1-NZ 3.47Å; E328-K334 IonicContact OE2-NZ 3.12Å; E328-K334 PolarHBondContact OE2-NZ 3.19Å
329M48.2Very low46.4Very low121 Ų121127.6 Ų127.660%0.59667%0.666SS**THydrogen-bonded Turntrans-64.9-14.4-179.1-54.1-169-49.200114.7L326 S327L326-M329 HydrophobicContact CB-CE 4.1Å; L326-M329 HydrophobicContact CD2-CE 3.65Å; L326-M329 HydrophobicContact CD2-SD 3.77Å; L326-M329 HydrophobicContact CG-CE 4.48Å; S327-M329 VanDerWaalsContact C-N 3.31Å
330F44.8Very low47Very low175 Ų175127.2 Ų127.277%0.76866%0.664SS**THydrogen-bonded Turntrans-119.112.1-173.9-69.9-79.6000113.7E328 P332E328-F330 PolarHBondContact O-N 3.09Å; E328-F330 VanDerWaalsContact O-N 3.13Å; F330-P332 WeakPolarHBondContact O-CD 3.48Å
331D43.9Very low47.9Very low81 Ų81124.7 Ų124.743%0.43365%0.651SS.*  trans-87115171.6-170.8-29.4000110.6E328 T333E328-D331 PolarHBondContact O-N 2.93Å; D331-T333 PolarHBondContact O-N 3Å; D331-T333 VanDerWaalsContact O-N 3.12Å; D331-T333 WeakPolarHBondContact OD1-CB 3.28Å; D331-T333 PolarHBondContact OD1-N 3.21Å; D331-T333 PolarHBondContact OD1-OG1 2.87Å
332P42.2Very low48.9Very low126 Ų126123.6 Ų123.682%0.81865%0.645SS**THydrogen-bonded Turntrans-7813-178.234.5-37.1000114.1F330F330-P332 WeakPolarHBondContact O-CD 3.48Å
333T51.2Low49.9Very low116 Ų116121.6 Ų121.671%0.71264%0.638SS**THydrogen-bonded Turntrans-118.10.6-172.469.90000116.3D331D331-T333 PolarHBondContact O-N 3Å; D331-T333 VanDerWaalsContact O-N 3.12Å; D331-T333 WeakPolarHBondContact OD1-CB 3.28Å; D331-T333 PolarHBondContact OD1-N 3.21Å; D331-T333 PolarHBondContact OD1-OG1 2.87Å
334K50Low50.1Low129 Ų129123.9 Ų123.956%0.56165%0.646SS**SBendtrans-94.6143.5168.7-85.6175.6169.1174.30111.4E328E328-K334 IonicContact OE1-NZ 3.95Å; E328-K334 PolarHBondContact OE1-NZ 3.47Å; E328-K334 IonicContact OE2-NZ 3.12Å; E328-K334 PolarHBondContact OE2-NZ 3.19Å
335E51.6Low50.4Low191 Ų191122.5 Ų122.589%0.89365%0.646SS**  trans-79.5164.7179.3-69.1-144.7134.600113.9
336M47.7Very low50.6Low185 Ų185121.6 Ų121.691%0.91164%0.643SS**  trans-37.9130.3-174.4-168.7163.561.500116.3
337M45.8Very low50.7Low142 Ų142121.6 Ų121.670%0.765%0.65SS**  trans-64.3144.4175.8-63.9-66.8-75.400112.3L341M337-L341 HydrophobicContact CE-CD2 3.93Å
338P57.7Low50.4Low88 Ų88120.7 Ų120.757%0.57164%0.644SS**  trans-70.8139.2170.930.3-34000111.2D340P338-D340 VanDerWaalsContact C-N 3.33Å; P338-D340 PolarHBondContact O-N 3.2Å
339G53Low50.4Low50 Ų50124.6 Ų124.652%0.51566%0.662SS.*THydrogen-bonded Turntrans-62.2-33.7-171.300000115L341 L342 E343G339-L341 PolarHBondContact O-N 2.97Å; G339-L341 VanDerWaalsContact O-N 3.08Å; G339-L342 WeakPolarHBondContact O-CB 3.19Å; G339-L342 PolarHBondContact O-N 3.34Å; G339-E343 PolarHBondContact O-N 3.49Å
340D52.1Low50.5Low144 Ų144123.9 Ų123.977%0.7766%0.664SS**Hα-helixtrans-57.6-29.4-174.4-51.3-13.2000113.3P338 D344P338-D340 VanDerWaalsContact C-N 3.33Å; P338-D340 PolarHBondContact O-N 3.2Å; D340-D344 PolarHBondContact O-N 3.32Å
341L55.2Low50.4Low104 Ų104124.6 Ų124.655%0.54567%0.667SS.*Hα-helixtrans-79.9-20.4178.2-164.467.3000112.9M337 G339 L345M337-L341 HydrophobicContact CE-CD2 3.93Å; G339-L341 PolarHBondContact O-N 2.97Å; G339-L341 VanDerWaalsContact O-N 3.08Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 PolarHBondContact O-N 3.49Å
342L57Low50.4Low108 Ų108125.5 Ų125.557%0.56568%0.68SS**Hα-helixtrans-78.3-36.8174.8-171.664.9000111G339 L345 M346G339-L342 WeakPolarHBondContact O-CB 3.19Å; G339-L342 PolarHBondContact O-N 3.34Å; L342-L345 PolarHBondContact O-N 3.28Å; L342-M346 HydrophobicContact CG-CE 4.4Å; L342-M346 WeakPolarHBondContact O-CB 3.32Å; L342-M346 VanDerWaalsContact O-CG 3.31Å; L342-M346 WeakPolarHBondContact O-CG 3.42Å; L342-M346 PolarHBondContact O-N 2.68Å
343E57.9Low50.5Low126 Ų126125.8 Ų125.859%0.58968%0.682SS**Hα-helixtrans-60.1-47.3174.7-157.176.5-139.800111.4G339 M346 S347G339-E343 PolarHBondContact O-N 3.49Å; E343-M346 PolarHBondContact O-N 3.35Å; E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.12Å; E343-S347 VanDerWaalsContact O-N 3.08Å; E343-S347 PolarHBondContact O-OG 3.38Å
344D53.7Low49.9Very low119 Ų119127.2 Ų127.264%0.63668%0.684SS**Hα-helixtrans-67-37.7179.6-155.549.1000111.6D340 S347 S348D340-D344 PolarHBondContact O-N 3.32Å; D344-S347 PolarHBondContact O-N 3.33Å; D344-S348 PolarHBondContact O-N 2.91Å
345L52.9Low49.7Very low130 Ų130128.3 Ų128.368%0.68170%0.695SS**Hα-helixtrans-70.7-35.3176.1-171.564.1000113L341 L342 S347L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 PolarHBondContact O-N 3.49Å; L342-L345 PolarHBondContact O-N 3.28Å; L345-S347 PolarHBondContact O-N 3.21Å
346M51.7Low49.7Very low130 Ų130129.4 Ų129.464%0.6469%0.691SS**Hα-helixtrans-70.8-21.1171.7-72.3-172-56.600112.9L342 E343L342-M346 HydrophobicContact CG-CE 4.4Å; L342-M346 WeakPolarHBondContact O-CB 3.32Å; L342-M346 VanDerWaalsContact O-CG 3.31Å; L342-M346 WeakPolarHBondContact O-CG 3.42Å; L342-M346 PolarHBondContact O-N 2.68Å; E343-M346 PolarHBondContact O-N 3.35Å
347S51.5Low49.6Very low84 Ų84128 Ų12859%0.58769%0.687SS**THydrogen-bonded Turntrans-88.2-5.7179.9-58.70000113.8E343 D344 L345E343-S347 WeakPolarHBondContact O-CB 3.48Å; E343-S347 PolarHBondContact O-N 3.12Å; E343-S347 VanDerWaalsContact O-N 3.08Å; E343-S347 PolarHBondContact O-OG 3.38Å; D344-S347 PolarHBondContact O-N 3.33Å; L345-S347 PolarHBondContact O-N 3.21Å
348S42.3Very low49.6Very low67 Ų67124.2 Ų124.247%0.46967%0.674SS.*  trans-88.5120-177.7-163.50000112.1D344 V350D344-S348 PolarHBondContact O-N 2.91Å; S348-V350 PolarHBondContact O-N 3.06Å
349E47.2Very low49.3Very low201 Ų201124.3 Ų124.394%0.93968%0.675SS**THydrogen-bonded Turntrans-71.128.7-170.8-58.1-178.911500115.5
350V50.3Low49.2Very low106 Ų106127 Ų12764%0.64268%0.683SS**THydrogen-bonded Turntrans-96.4-18.9-171.6-174.60000113.2S348S348-V350 PolarHBondContact O-N 3.06Å
351F42.6Very low49.1Very low190 Ų190126.5 Ų126.583%0.83369%0.688SS**SBendtrans-133.689.3-176-75.8-81.3000114.6
352S45.4Very low48.9Very low100 Ų100125.6 Ų125.670%0.69969%0.69SS**  trans-177.5139.1130.848.90000113.4
353P44Very low48.3Very low132 Ų132128.4 Ų128.486%0.85771%0.706SS**SBendtrans-101.113.5159.837.6-31.6000112.3
354L39Very low47.9Very low145 Ų145130.4 Ų130.476%0.75972%0.715SS**  trans-122.5111.1-170.9-65.3177.9000111.3
355L44.2Very low47.7Very low153 Ų153131.5 Ų131.580%0.80172%0.721SS**  trans-81.8116.5-177.4-172.868.7000111.6L357L355-L357 HydrophobicContact CD2-CD2 3.85Å; L355-L357 HydrophobicContact CG-CD2 4.17Å; L355-L357 PolarHBondContact O-N 3.2Å
356R52.8Low47.7Very low214 Ų214133.6 Ų133.681%0.80872%0.721SS**  trans-82.7104177.7-173.7175.4-175.7160.41.2110.8S358R356-S358 VanDerWaalsContact C-N 3.31Å; R356-S358 WeakPolarHBondContact CG-OG 3.47Å; R356-S358 PolarHBondContact NE-OG 3.12Å; R356-S358 PolarHBondContact O-N 2.83Å
357L45Very low47.8Very low155 Ų155133.8 Ų133.881%0.81272%0.723SS**  trans-78.8-1.9-175.8-65.4176.5000115.6L355L355-L357 HydrophobicContact CD2-CD2 3.85Å; L355-L357 HydrophobicContact CG-CD2 4.17Å; L355-L357 PolarHBondContact O-N 3.2Å
358S45.8Very low48Very low62 Ų62139 Ų13943%0.43473%0.731SS.*SBendtrans-81.6123.1170.661.40000110.1R356R356-S358 VanDerWaalsContact C-N 3.31Å; R356-S358 WeakPolarHBondContact CG-OG 3.47Å; R356-S358 PolarHBondContact NE-OG 3.12Å; R356-S358 PolarHBondContact O-N 2.83Å
359P51.2Low48.7Very low90 Ų90142.3 Ų142.358%0.58474%0.743SS**PPolyproline II helixtrans-53.7141.5168.5-24.134.2000110.8
360P51.3Low49.5Very low108 Ų108136.5 Ų136.570%0.70172%0.719SS**PPolyproline II helixtrans-64.3144.7171.728.7-33.8000109.6S362P360-S362 PolarHBondContact O-N 3.31Å
361P49.6Very low50.1Low132 Ų132135.4 Ų135.486%0.85771%0.709SS**  trans-70.991.2175.729.2-33.1000110.1
362S52Low51.3Low86 Ų86136.1 Ų136.160%0.60172%0.715SS**  trans-70.1155.1161.651.10000110.3P360 H364P360-S362 PolarHBondContact O-N 3.31Å; S362-H364 PolarHBondContact O-N 3.12Å
363D44.2Very low52.3Low167 Ų167137.2 Ų137.289%0.89372%0.718SS**SBendtrans-70.628.4-174.9-152.327.2000114.7
364H48.6Very low53.7Low167 Ų167136 Ų13677%0.77370%0.701SS**SBendtrans-132.181.3174.3-69-7.3000107S362S362-H364 PolarHBondContact O-N 3.12Å
365D50.5Low55.2Low143 Ų143130.4 Ų130.477%0.76568%0.678SS**  trans-51.2150.9169.8-83.1-45.4000111.1I367D365-I367 VanDerWaalsContact C-N 3.25Å; D365-I367 PolarHBondContact O-N 2.89Å
366Y53.6Low56.2Low174 Ų174129.2 Ų129.268%0.68267%0.672SS**  trans-70.176.5178.3-76.8-88.4000111.9Y368Y366-Y368 HydrophobicContact CD1-CD2 4.36Å; Y366-Y368 AromaticContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CE1-CE2 4.38Å; Y366-Y368 HydrophobicContact CG-CE2 4.15Å; Y366-Y368 PolarHBondContact O-N 2.63Å
367I53.3Low56.7Low133 Ų133121.3 Ų121.368%0.68265%0.648SS**  trans-75.473.8171.3-49178.9000109.3D365 N369D365-I367 VanDerWaalsContact C-N 3.25Å; D365-I367 PolarHBondContact O-N 2.89Å; I367-N369 PolarHBondContact O-N 2.69Å; I367-N369 VanDerWaalsContact O-N 3.11Å
368Y54.6Low57.6Low195 Ų195119.2 Ų119.277%0.76564%0.638SS**  trans-70.197160-73.1-76.3000108.5Y366Y366-Y368 HydrophobicContact CD1-CD2 4.36Å; Y366-Y368 AromaticContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CD1-CE2 3.52Å; Y366-Y368 HydrophobicContact CE1-CE2 4.38Å; Y366-Y368 HydrophobicContact CG-CE2 4.15Å; Y366-Y368 PolarHBondContact O-N 2.63Å
369N57.9Low58.5Low135 Ų135121.7 Ų121.772%0.72265%0.646SS**PPolyproline II helixtrans-74.8130.7159.2-61.1-74.5000107.5I367I367-N369 PolarHBondContact O-N 2.69Å; I367-N369 VanDerWaalsContact O-N 3.11Å
370L63Low59.2Low80 Ų80124.3 Ų124.342%0.41965%0.648SS.*PPolyproline II helixtrans-64148.9164.9-66169.7000109.1E374L370-E374 HydrophobicContact CB-CB 4.08Å; L370-E374 HydrophobicContact CD2-CB 4.07Å
371D62.8Low59.5Low83 Ų83126.7 Ų126.744%0.44466%0.655SS.*PPolyproline II helixtrans-60.2158.7165.7172.244.8000111.3T373 E374D371-T373 PolarHBondContact O-N 2.71Å; D371-T373 VanDerWaalsContact OD2-CB 3.28Å; D371-T373 WeakPolarHBondContact OD2-CB 3.45Å; D371-T373 WeakPolarHBondContact OD2-CG2 3.14Å; D371-T373 PolarHBondContact OD2-N 2.82Å; D371-T373 VanDerWaalsContact OD2-N 3.14Å; D371-T373 PolarHBondContact OD2-OG1 2.76Å; D371-E374 HydrophobicContact CB-CB 4.24Å; D371-E374 HydrophobicContact CB-CG 3.95Å; D371-E374 PolarHBondContact N-OE2 3.5Å; D371-E374 VanDerWaalsContact N-OE2 3.11Å; D371-E374 PolarHBondContact O-N 2.69Å; D371-E374 VanDerWaalsContact O-N 3.07Å
372E67.6Low60Low204 Ų204124.5 Ų124.595%0.95364%0.639SS**THydrogen-bonded Turntrans-61.7-13.5174.6-66.8-170.4169.600112.8
373T68.2Low60.2Low124 Ų124125.3 Ų125.376%0.76164%0.643SS**THydrogen-bonded Turntrans-103.1-8.4174.781.10000115.1D371D371-T373 PolarHBondContact O-N 2.71Å; D371-T373 VanDerWaalsContact OD2-CB 3.28Å; D371-T373 WeakPolarHBondContact OD2-CB 3.45Å; D371-T373 WeakPolarHBondContact OD2-CG2 3.14Å; D371-T373 PolarHBondContact OD2-N 2.82Å; D371-T373 VanDerWaalsContact OD2-N 3.14Å; D371-T373 PolarHBondContact OD2-OG1 2.76Å
374E72.3Confident61.1Low106 Ų106123.2 Ų123.250%0.49563%0.63SS.*  trans-95.8143.3-176.9-74.6176.4155.200112.9L370 D371L370-E374 HydrophobicContact CB-CB 4.08Å; L370-E374 HydrophobicContact CD2-CB 4.07Å; D371-E374 HydrophobicContact CB-CB 4.24Å; D371-E374 HydrophobicContact CB-CG 3.95Å; D371-E374 PolarHBondContact N-OE2 3.5Å; D371-E374 VanDerWaalsContact N-OE2 3.11Å; D371-E374 PolarHBondContact O-N 2.69Å; D371-E374 VanDerWaalsContact O-N 3.07Å
375G70.7Confident61.4Low27 Ų27122.8 Ų122.828%0.27863%0.632SS.*  trans-116.5165.6-178.200000114.3C377 D378G375-C377 PolarHBondContact O-N 3.09Å; G375-D378 WeakPolarHBondContact CA-OD2 3.37Å; G375-D378 PolarHBondContact N-OD2 3.14Å; G375-D378 PolarHBondContact O-N 3Å; G375-D378 VanDerWaalsContact O-N 3.14Å
376L65.3Low61.3Low129 Ų129123.7 Ų123.768%0.67564%0.637SS**THydrogen-bonded Turntrans-59.8-7.3168.6-81.4169.1000114.1
377C62.8Low60.7Low47 Ų47127 Ų12732%0.31867%0.666SS.*THydrogen-bonded Turntrans-81.3-36.8176.1-57.80000111.7G375 L379 F380 D381 V382 I384G375-C377 PolarHBondContact O-N 3.09Å; C377-L379 VanDerWaalsContact C-N 3.32Å; C377-L379 PolarHBondContact O-N 3Å; C377-F380 PolarHBondContact O-N 3.34Å; C377-D381 PolarHBondContact O-N 3.31Å; C377-V382 PolarHBondContact O-N 3.49Å; C377-I384 HydrophobicContact CB-CD1 4.01Å; C377-I384 HydrophobicContact CB-CG1 4.02Å
378D63.7Low61.1Low111 Ų111126.8 Ų126.859%0.59467%0.665SS**G310 helixtrans-69.9-30.4-177.4-52.7-70.8000111.9G375 F380G375-D378 WeakPolarHBondContact CA-OD2 3.37Å; G375-D378 PolarHBondContact N-OD2 3.14Å; G375-D378 PolarHBondContact O-N 3Å; G375-D378 VanDerWaalsContact O-N 3.14Å; D378-F380 PolarHBondContact O-N 3.47Å
379L66.4Low61.4Low115 Ų115123.2 Ų123.260%0.60266%0.66SS**G310 helixtrans-70.1-13.7177.5-172.258.9000114.1C377C377-L379 VanDerWaalsContact C-N 3.32Å; C377-L379 PolarHBondContact O-N 3Å
380F64.4Low61.6Low144 Ų144122.5 Ų122.563%0.63266%0.656SS**G310 helixtrans-133.611.5-171.7-70.8-76.3000114.4C377 D378 V382C377-F380 PolarHBondContact O-N 3.34Å; D378-F380 PolarHBondContact O-N 3.47Å; F380-V382 HydrophobicContact CB-CG2 3.75Å; F380-V382 PolarHBondContact O-N 3Å; F380-V382 VanDerWaalsContact O-N 3.09Å
381D57.8Low61.6Low159 Ų159125 Ų12585%0.8567%0.67SS**THydrogen-bonded Turntrans50.131.5-176.4-81.9-43.6000113.6C377 P383C377-D381 PolarHBondContact O-N 3.31Å; D381-P383 WeakPolarHBondContact O-CD 3.28Å
382V59.8Low61.5Low85 Ų85127.6 Ų127.652%0.51568%0.684SS.*  trans-82.7112.2-175.8-179.20000109.6C377 F380 I384C377-V382 PolarHBondContact O-N 3.49Å; F380-V382 HydrophobicContact CB-CG2 3.75Å; F380-V382 PolarHBondContact O-N 3Å; F380-V382 VanDerWaalsContact O-N 3.09Å; V382-I384 PolarHBondContact O-N 3.3Å; V382-I384 VanDerWaalsContact O-N 3.11Å
383P57Low61.1Low104 Ų104122.5 Ų122.568%0.67567%0.666SS**  trans-67.4115.9179.427.7-34.1000109.9D381 L385D381-P383 WeakPolarHBondContact O-CD 3.28Å; P383-L385 PolarHBondContact O-N 3.16Å
384I61.8Low60.6Low122 Ų122122.4 Ų122.463%0.62666%0.66SS**  trans-65.5101.9176.3-56.4176.7000108.5C377 V382 N386C377-I384 HydrophobicContact CB-CD1 4.01Å; C377-I384 HydrophobicContact CB-CG1 4.02Å; V382-I384 PolarHBondContact O-N 3.3Å; V382-I384 VanDerWaalsContact O-N 3.11Å; I384-N386 PolarHBondContact O-N 2.83Å
385L55.9Low59.7Low158 Ų158123.7 Ų123.783%0.82767%0.672SS**  trans-71.5109.8170.1-68.1174.3000108.3P383P383-L385 PolarHBondContact O-N 3.16Å
386N48.4Very low58.7Low162 Ų162131.8 Ų131.887%0.86671%0.705SS**  trans-48.3137.1-179.2-66.5-43.8000112.6I384I384-N386 PolarHBondContact O-N 2.83Å
387L41.6Very low58.2Low245 Ų245132 Ų132100%1.28371%0.708SS**  trans-1200173.9-169.473000110.3

Retrieved 387 of 387 residues in 942.1 ms (Link to these results)