A0A096MWA6_PAPAN Loading...

Probable RNA-binding protein 46

Essential for male and female fertility, playing a crucial role in regulating germ cell development by ensuring the proper progression of meiosis prophase I. Regulates mitotic-to-meiotic transition in spermatogenesis by forming a complex with MEIOC and YTHDC2 which recognizes and down-regulates mitotic transcripts for a successful meiotic entry. Required for normal synaptonemal complex formation during meiosis, binding meiotic cohesin subunit mRNAs containing GCCUAU/GUUCGA motifs in their 3'UTRs regions and positively regulating their translation. Required for spermatogonial differentiation in both developing and adult testis.

AlphaFold DB (A0A2K5VFZ6), UniProt , Accession A0A096MWA6, Species PAPAN (Papio anubis, Olive baboon), Gene RBM46, Length 533 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.9Very low31.3Very low235 Ų235145.2 Ų145.2100%1.15882%0.816SS**  0112.70-65.7170.4176.900107.5
2N30.7Very low31.7Very low138 Ų138142 Ų14274%0.73881%0.809SS**  cis-139.9147.2-6.9-70-9.4000105.1
3E30.3Very low32.1Very low173 Ų173140.2 Ų140.281%0.80881%0.81SS**  38.7134.485-70.4177.6164.500114
4E35.2Very low32.4Very low160 Ų160144.6 Ų144.675%0.74882%0.815SS**  cis-169.1149.2-8.5-132.7-171.3179.500107.4
5N26.5Very low32.5Very low157 Ų157143.9 Ų143.984%0.8482%0.815SS**  176151.6129.3-105.3-66000114.7
6I38.9Very low32.6Very low158 Ų158147.2 Ų147.281%0.8181%0.81SS**  trans-113.7136177.9-61.3164.4000107.8
7D28.8Very low33Very low157 Ų157144.5 Ų144.584%0.8480%0.799SS**  trans-151.7153.5142.1-1577.7000110.9
8G30Very low33.4Very low51 Ų51139.5 Ų139.553%0.52679%0.786SS.*  trans-130.6-179.8170.300000110.5
9T30.5Very low33.9Very low125 Ų125137 Ų13777%0.76778%0.775SS**  trans164.8101.6143.8-72.70000110.3
10N29.8Very low34.4Very low153 Ų153136.5 Ų136.582%0.81877%0.765SS**  trans33.992.1137.7-59-31.1000120
11G31.9Very low35.6Very low90 Ų90132.5 Ų132.593%0.92874%0.743SS**  trans-98.969.7156.700000112.7
12C36.3Very low37.1Very low107 Ų107127.2 Ų127.272%0.72372%0.715SS**  trans-156.1101.7172-167.80000113.4
13S35.9Very low38.8Very low119 Ų119123.6 Ų123.683%0.83270%0.704SS**  trans-167.684.8167-82.50000111.6
14K36.8Very low40.8Very low202 Ų202117.1 Ų117.188%0.87868%0.68SS**SBendtrans-165.43.8162.7-114.6161.3-170.8179.70117.8
15V34.5Very low42.2Very low134 Ų134110.6 Ų110.681%0.81265%0.65SS**SBendtrans-116.2-3.3-176.4-170.90000113.1
16R33.7Very low44.3Very low196 Ų196108 Ų10874%0.7464%0.636SS**SBendtrans-82.7-17.6-173.2-79.7-175.3169.7178.1-3.7116.1
17T40Very low46.1Very low101 Ų101103.2 Ų103.262%0.6262%0.619SS**Hα-helixtrans-76.1-24.8-172.744.50000114.2N21T17-N21 VanDerWaalsContact O-CG 3.31Å; T17-N21 PolarHBondContact O-OD1 3.29Å
18G38.7Very low48.3Very low55 Ų5596.2 Ų96.257%0.56758%0.582SS**Hα-helixtrans-70.4-39.8179.100000113.7
19T43.1Very low50.4Low92 Ų9296.5 Ų96.556%0.56457%0.571SS**Hα-helixtrans-88.9-27.3-172.148.50000114.1E22 A23T19-E22 PolarHBondContact O-N 3.14Å; T19-A23 PolarHBondContact O-N 3.36Å
20Q44.9Very low52.4Low126 Ų12698.9 Ų98.959%0.58957%0.573SS**Hα-helixtrans-67.8-39175.3-70.3-175-56.800111.6E22 A23 A24Q20-E22 VanDerWaalsContact C-N 3.31Å; Q20-E22 PolarHBondContact O-N 3.3Å; Q20-A23 PolarHBondContact O-N 3.31Å; Q20-A24 PolarHBondContact O-N 3.33Å; Q20-A24 VanDerWaalsContact O-N 3.1Å
21N58.8Low54.7Low54 Ų5499.2 Ų99.229%0.28957%0.567SS.*Hα-helixtrans-66.7-31.6178.9-65.418.9000112.1T17 L25 Y73T17-N21 VanDerWaalsContact O-CG 3.31Å; T17-N21 PolarHBondContact O-OD1 3.29Å; N21-L25 WeakPolarHBondContact O-CB 3.48Å; N21-L25 PolarHBondContact O-N 3.36Å; N21-L25 VanDerWaalsContact O-N 3.08Å; N21-Y73 VanDerWaalsContact ND2-CD2 3.32Å; N21-Y73 WeakPolarHBondContact ND2-CD2 3.4Å; N21-Y73 VanDerWaalsContact ND2-CE2 3.3Å; N21-Y73 WeakPolarHBondContact ND2-CE2 3.47Å
22E63Low56.6Low124 Ų12496.1 Ų96.158%0.57953%0.53SS*.Hα-helixtrans-71.2-40.9176.9-170.1172-160.500112T19 Q20 L25 L26T19-E22 PolarHBondContact O-N 3.14Å; Q20-E22 VanDerWaalsContact C-N 3.31Å; Q20-E22 PolarHBondContact O-N 3.3Å; E22-L25 PolarHBondContact O-N 3.46Å; E22-L26 HydrophobicContact CG-CD1 4.44Å; E22-L26 WeakPolarHBondContact O-CG 3.39Å; E22-L26 PolarHBondContact O-N 2.82Å
23A67.6Low58.1Low61 Ų6193.5 Ų93.550%0.50452%0.521SS..Hα-helixtrans-68.3-42177.200000112.9T19 Q20 L25 L26 A27T19-A23 PolarHBondContact O-N 3.36Å; Q20-A23 PolarHBondContact O-N 3.31Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L26 PolarHBondContact O-N 3.02Å; A23-A27 WeakPolarHBondContact O-CB 3.43Å; A23-A27 PolarHBondContact O-N 2.89Å
24A71.7Confident59.9Low37 Ų3789 Ų8931%0.30649%0.486SS..Hα-helixtrans-64.6-38.4175.300000111.9Q20 A27 L28 D75Q20-A24 PolarHBondContact O-N 3.33Å; Q20-A24 VanDerWaalsContact O-N 3.1Å; A24-A27 PolarHBondContact O-N 3.25Å; A24-L28 PolarHBondContact O-N 3.46Å; A24-D75 HydrophobicContact CB-CB 4.13Å; A24-D75 WeakPolarHBondContact CB-OD2 3.5Å
25L65.4Low61.5Low24 Ų2485.1 Ų85.113%0.12648%0.475CS..Hα-helixtrans-63.1-47175.2179.967.8000112.4N21 E22 A23 A27 L28 M29 M36N21-L25 WeakPolarHBondContact O-CB 3.48Å; N21-L25 PolarHBondContact O-N 3.36Å; N21-L25 VanDerWaalsContact O-N 3.08Å; E22-L25 PolarHBondContact O-N 3.46Å; A23-L25 VanDerWaalsContact C-N 3.33Å; L25-A27 VanDerWaalsContact C-N 3.33Å; L25-A27 PolarHBondContact O-N 2.77Å; L25-L28 PolarHBondContact O-N 2.59Å; L25-M29 HydrophobicContact CG-SD 4.45Å; L25-M29 WeakPolarHBondContact O-CG 3.31Å; L25-M29 PolarHBondContact O-N 2.9Å; L25-M36 HydrophobicContact CD1-CE 3.36Å; L25-M36 HydrophobicContact CD1-CG 4.24Å
26L70.8Confident63.4Low103 Ų10380.5 Ų80.554%0.53945%0.445SS..Hα-helixtrans-61.3-41.8176.1-73.6168.7000111.6E22 A23 L28 M29 E30E22-L26 HydrophobicContact CG-CD1 4.44Å; E22-L26 WeakPolarHBondContact O-CG 3.39Å; E22-L26 PolarHBondContact O-N 2.82Å; A23-L26 PolarHBondContact O-N 3.02Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 2.82Å; L26-M29 PolarHBondContact O-N 3.1Å; L26-E30 PolarHBondContact O-N 3.28Å
27A75.4Confident65.6Low56 Ų5674.4 Ų74.446%0.46343%0.429SS..Hα-helixtrans-64.1-36175.700000112.7A23 A24 L25 K31A23-A27 WeakPolarHBondContact O-CB 3.43Å; A23-A27 PolarHBondContact O-N 2.89Å; A24-A27 PolarHBondContact O-N 3.25Å; L25-A27 VanDerWaalsContact C-N 3.33Å; L25-A27 PolarHBondContact O-N 2.77Å; A27-K31 WeakPolarHBondContact O-CB 3.4Å; A27-K31 PolarHBondContact O-N 3.15Å
28L75.1Confident67.4Low11 Ų1175.8 Ų75.86%0.05843%0.429CS..Hα-helixtrans-65.3-44.3172.5-174.873.2000111.2A24 L25 L26 K31 T32 F45 V78A24-L28 PolarHBondContact O-N 3.46Å; L25-L28 PolarHBondContact O-N 2.59Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 2.82Å; L28-K31 PolarHBondContact O-N 2.69Å; L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 HydrophobicContact CG-CG2 4.32Å; L28-T32 WeakPolarHBondContact O-CB 3.31Å; L28-T32 VanDerWaalsContact O-CG2 3.3Å; L28-T32 WeakPolarHBondContact O-CG2 3.24Å; L28-T32 PolarHBondContact O-N 2.66Å; L28-T32 PolarHBondContact O-OG1 2.63Å; L28-F45 HydrophobicContact CD2-CD2 3.92Å; L28-F45 HydrophobicContact CD2-CE2 3.61Å; L28-F45 HydrophobicContact CD2-CZ 4.26Å; L28-F45 HydrophobicContact CG-CE2 3.86Å; L28-F45 HydrophobicContact CG-CZ 4.39Å; L28-V78 HydrophobicContact CD2-CB 4.29Å; L28-V78 HydrophobicContact CD2-CG2 4.43Å
29M73.5Confident69.3Low57 Ų5776.5 Ų76.528%0.28142%0.417SS..Hα-helixtrans-61.9-46.2177.8-69.8174.363.400111.8L25 L26 T32 G33 M36L25-M29 HydrophobicContact CG-SD 4.45Å; L25-M29 WeakPolarHBondContact O-CG 3.31Å; L25-M29 PolarHBondContact O-N 2.9Å; L26-M29 PolarHBondContact O-N 3.1Å; M29-T32 PolarHBondContact O-N 2.92Å; M29-G33 WeakPolarHBondContact O-CA 3.49Å; M29-G33 PolarHBondContact O-N 2.83Å; M29-M36 HydrophobicContact CE-CB 4.28Å; M29-M36 HydrophobicContact CG-CB 4.35Å; M29-M36 HydrophobicContact SD-CB 3.79Å
30E74.4Confident70.7Confident175 Ų17579.2 Ų79.282%0.81843%0.428SS*.Hα-helixtrans-63.4-43.9177.2-174.9176.7-160.900112.1L26 T32L26-E30 PolarHBondContact O-N 3.28Å; E30-T32 PolarHBondContact O-N 2.95Å
31K76.2Confident72.4Confident159 Ų15974 Ų7469%0.69141%0.408SS*.Hα-helixtrans-64.7-39179.1-179.7-169.4177.1-156.60113.1A27 L28A27-K31 WeakPolarHBondContact O-CB 3.4Å; A27-K31 PolarHBondContact O-N 3.15Å; L28-K31 PolarHBondContact O-N 2.69Å
32T72.5Confident73.6Confident26 Ų2673.7 Ų73.716%0.1641%0.405CS..Hα-helixtrans-104.4-21.1-167.365.30000113.6L28 M29 E30 Y34 F45L28-T32 HydrophobicContact CD1-CG2 3.88Å; L28-T32 HydrophobicContact CG-CG2 4.32Å; L28-T32 WeakPolarHBondContact O-CB 3.31Å; L28-T32 VanDerWaalsContact O-CG2 3.3Å; L28-T32 WeakPolarHBondContact O-CG2 3.24Å; L28-T32 PolarHBondContact O-N 2.66Å; L28-T32 PolarHBondContact O-OG1 2.63Å; M29-T32 PolarHBondContact O-N 2.92Å; E30-T32 PolarHBondContact O-N 2.95Å; T32-Y34 VanDerWaalsContact C-N 3.25Å; T32-Y34 VanDerWaalsContact O-CD2 3.25Å; T32-Y34 WeakPolarHBondContact O-CD2 3.36Å; T32-Y34 PolarHBondContact O-N 3.4Å; T32-F45 HydrophobicContact CG2-CZ 4.24Å; T32-F45 WeakPolarHBondContact OG1-CZ 3.37Å
33G68.6Low74.8Confident51 Ų5169.8 Ų69.853%0.52639%0.385SS..  trans74.16.6-178.400000115.2M29M29-G33 WeakPolarHBondContact O-CA 3.49Å; M29-G33 PolarHBondContact O-N 2.83Å
34Y72.8Confident75.8Confident24 Ų2468 Ų689%0.09437%0.366CS..  trans-85.7143.4178.2-68.4-104.9000111.5T32 F45 P49 P50 I87T32-Y34 VanDerWaalsContact C-N 3.25Å; T32-Y34 VanDerWaalsContact O-CD2 3.25Å; T32-Y34 WeakPolarHBondContact O-CD2 3.36Å; T32-Y34 PolarHBondContact O-N 3.4Å; Y34-F45 HydrophobicContact CD1-CE1 4.32Å; Y34-F45 HydrophobicContact CD2-CE1 4.06Å; Y34-F45 AromaticContact CD2-CZ 3.74Å; Y34-F45 HydrophobicContact CD2-CZ 3.74Å; Y34-F45 HydrophobicContact CE2-CZ 4.47Å; Y34-F45 AromaticContact CG-CE1 3.94Å; Y34-F45 HydrophobicContact CG-CE1 3.94Å; Y34-F45 HydrophobicContact CG-CE2 4.42Å; Y34-F45 AromaticContact CG-CZ 3.81Å; Y34-F45 HydrophobicContact CG-CZ 3.81Å; Y34-P49 HydrophobicContact CE1-CB 3.89Å; Y34-P49 HydrophobicContact CE1-CG 4.09Å; Y34-P50 HydrophobicContact CD2-CG 4.26Å; Y34-P50 HydrophobicContact CE2-CG 4.33Å; Y34-I87 PolarHBondContact OH-O 3.48Å
35N71.5Confident76.4Confident122 Ų12266.3 Ų66.365%0.65235%0.352SS*.  trans-74145.6171.7-68.3-56.7000111G46N35-G46 PolarHBondContact O-N 2.92Å
36M73.8Confident77.1Confident37 Ų3766.1 Ų66.118%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-114126.3171-17966.989.400109.5L25 M29 R43 K44 F45 E74L25-M36 HydrophobicContact CD1-CE 3.36Å; L25-M36 HydrophobicContact CD1-CG 4.24Å; M29-M36 HydrophobicContact CE-CB 4.28Å; M29-M36 HydrophobicContact CG-CB 4.35Å; M29-M36 HydrophobicContact SD-CB 3.79Å; M36-R43 HydrophobicContact SD-CB 4.43Å; M36-K44 CarbonylContact C-O 3.52Å; M36-K44 VanDerWaalsContact CA-O 3.3Å; M36-K44 WeakPolarHBondContact CA-O 3.36Å; M36-F45 HydrophobicContact CE-CB 3.8Å; M36-F45 HydrophobicContact CE-CD2 4.18Å; M36-F45 HydrophobicContact CE-CG 4.49Å; M36-F45 HydrophobicContact SD-CB 4.08Å; M36-E74 HydrophobicContact CE-CB 3.67Å; M36-E74 HydrophobicContact CE-CG 3.58Å
37V79.5Confident77.3Confident68 Ų6861.7 Ų61.741%0.41234%0.335SS..EExtended strand (participates in β ladder)trans-129131.3-178.9-177.80000110.6E39 K44V37-E39 HydrophobicContact CG1-CG 4Å; V37-K44 PolarHBondContact N-O 3.32Å; V37-K44 WeakPolarHBondContact O-CB 3.28Å; V37-K44 PolarHBondContact O-N 3.18Å
38Q77.8Confident77.3Confident129 Ų12962.9 Ų62.960%0.60334%0.338SS*.EExtended strand (participates in β ladder)trans-104.1109.6172.9-172.3167.5-800110.9Q42 R43Q38-Q42 CarbonylContact C-O 3.56Å; Q38-Q42 VanDerWaalsContact CA-O 3.31Å; Q38-Q42 WeakPolarHBondContact CA-O 3.45Å; Q38-R43 HydrophobicContact CB-CG 4.19Å; Q38-R43 HydrophobicContact CG-CG 3.9Å
39E78.3Confident77.5Confident71 Ų7162.5 Ų62.533%0.33234%0.336SS..EExtended strand (participates in β ladder)trans-127.8129.5-178.7-89.6-180-159.700110.7V37 G41 Q42 R195V37-E39 HydrophobicContact CG1-CG 4Å; E39-G41 PolarHBondContact O-N 3.44Å; E39-Q42 PolarHBondContact N-O 3.2Å; E39-Q42 WeakPolarHBondContact O-CB 3.21Å; E39-Q42 PolarHBondContact O-N 2.91Å; E39-R195 IonicContact OE2-CZ 2.83Å; E39-R195 VanDerWaalsContact OE2-CZ 3.3Å; E39-R195 IonicContact OE2-NH1 2.63Å; E39-R195 PolarHBondContact OE2-NH1 3.21Å; E39-R195 IonicContact OE2-NH2 2.77Å; E39-R195 PolarHBondContact OE2-NH2 3.34Å
40N73.9Confident77.6Confident148 Ų14863 Ų6379%0.79134%0.343SS*.THydrogen-bonded Turntrans51.932.7166.4-62.3-43.3000115.8
41G80Confident77.7Confident16 Ų1658.5 Ų58.517%0.16534%0.344CS..THydrogen-bonded Turntrans79.124.6-175.700000114.2E39 M94E39-G41 PolarHBondContact O-N 3.44Å; G41-M94 PolarHBondContact O-N 2.77Å
42Q84.4Confident77.9Confident49 Ų4954.7 Ų54.723%0.22933%0.325CS..EExtended strand (participates in β ladder)trans-121.6137.6167.3-43.7-1694.300108.5Q38 E39 K44 L92 M93Q38-Q42 CarbonylContact C-O 3.56Å; Q38-Q42 VanDerWaalsContact CA-O 3.31Å; Q38-Q42 WeakPolarHBondContact CA-O 3.45Å; E39-Q42 PolarHBondContact N-O 3.2Å; E39-Q42 WeakPolarHBondContact O-CB 3.21Å; E39-Q42 PolarHBondContact O-N 2.91Å; Q42-K44 HydrophobicContact CB-CG 4.47Å; Q42-L92 CarbonylContact C-O 3.54Å; Q42-L92 WeakPolarHBondContact CA-O 3.5Å; Q42-M93 HydrophobicContact CB-SD 4.23Å; Q42-M93 HydrophobicContact CG-CE 3.82Å; Q42-M93 HydrophobicContact CG-SD 3.62Å
43R88.4Confident78.2Confident42 Ų4263 Ų6316%0.15836%0.362CS..EExtended strand (participates in β ladder)trans-103.4123.7164.3-77.2165.559.9114.4-9.1107.6M36 Q38 E74 R91 L92 M94M36-R43 HydrophobicContact SD-CB 4.43Å; Q38-R43 HydrophobicContact CB-CG 4.19Å; Q38-R43 HydrophobicContact CG-CG 3.9Å; R43-E74 WeakPolarHBondContact CB-OE1 3.14Å; R43-E74 WeakPolarHBondContact CD-OE1 3.09Å; R43-E74 IonicContact CZ-OE1 3.81Å; R43-E74 IonicContact CZ-OE2 2.88Å; R43-E74 IonicContact NE-OE1 3.66Å; R43-E74 PolarHBondContact NE-OE1 3.29Å; R43-E74 IonicContact NE-OE2 3.85Å; R43-E74 PolarHBondContact NE-OE2 2.79Å; R43-E74 IonicContact NH2-OE1 3.84Å; R43-E74 IonicContact NH2-OE2 2.68Å; R43-E74 PolarHBondContact NH2-OE2 2.96Å; R43-R91 CarbonylContact O-C 3.51Å; R43-R91 WeakPolarHBondContact O-CA 3.23Å; R43-L92 HydrophobicContact CB-CB 4.44Å; R43-L92 PolarHBondContact N-O 3.48Å; R43-L92 PolarHBondContact O-N 3.35Å; R43-M94 HydrophobicContact CB-CG 4.25Å; R43-M94 HydrophobicContact CG-CG 3.81Å
44K87.9Confident78.6Confident24 Ų2462.4 Ų62.410%0.10436%0.356CS..EExtended strand (participates in β ladder)trans-115.5110.7-171.8-63.9-174.4157.1-123.70109.7M36 V37 Q42 E89 F90 R91M36-K44 CarbonylContact C-O 3.52Å; M36-K44 VanDerWaalsContact CA-O 3.3Å; M36-K44 WeakPolarHBondContact CA-O 3.36Å; V37-K44 PolarHBondContact N-O 3.32Å; V37-K44 WeakPolarHBondContact O-CB 3.28Å; V37-K44 PolarHBondContact O-N 3.18Å; Q42-K44 HydrophobicContact CB-CG 4.47Å; K44-E89 IonicContact NZ-OE1 3.23Å; K44-E89 IonicContact NZ-OE2 3.78Å; K44-E89 PolarHBondContact NZ-OE2 3.25Å; K44-F90 CarbonylContact C-O 3.54Å; K44-F90 WeakPolarHBondContact CA-O 3.36Å; K44-R91 HydrophobicContact CG-CG 4.17Å
45F83.9Confident79.1Confident1 Ų166.3 Ų66.30%0.00438%0.384CS..EExtended strand (participates in β ladder)trans-90.2117.7168.1175-92.8000108.6L28 T32 Y34 M36 V78 F90L28-F45 HydrophobicContact CD2-CD2 3.92Å; L28-F45 HydrophobicContact CD2-CE2 3.61Å; L28-F45 HydrophobicContact CD2-CZ 4.26Å; L28-F45 HydrophobicContact CG-CE2 3.86Å; L28-F45 HydrophobicContact CG-CZ 4.39Å; T32-F45 HydrophobicContact CG2-CZ 4.24Å; T32-F45 WeakPolarHBondContact OG1-CZ 3.37Å; Y34-F45 HydrophobicContact CD1-CE1 4.32Å; Y34-F45 HydrophobicContact CD2-CE1 4.06Å; Y34-F45 AromaticContact CD2-CZ 3.74Å; Y34-F45 HydrophobicContact CD2-CZ 3.74Å; Y34-F45 HydrophobicContact CE2-CZ 4.47Å; Y34-F45 AromaticContact CG-CE1 3.94Å; Y34-F45 HydrophobicContact CG-CE1 3.94Å; Y34-F45 HydrophobicContact CG-CE2 4.42Å; Y34-F45 AromaticContact CG-CZ 3.81Å; Y34-F45 HydrophobicContact CG-CZ 3.81Å; M36-F45 HydrophobicContact CE-CB 3.8Å; M36-F45 HydrophobicContact CE-CD2 4.18Å; M36-F45 HydrophobicContact CE-CG 4.49Å; M36-F45 HydrophobicContact SD-CB 4.08Å; F45-V78 HydrophobicContact CB-CG2 4.47Å; F45-V78 HydrophobicContact CD1-CG1 4.19Å; F45-V78 HydrophobicContact CD1-CG2 3.8Å; F45-V78 HydrophobicContact CE1-CG1 3.68Å; F45-V78 HydrophobicContact CE1-CG2 4.14Å; F45-V78 HydrophobicContact CG-CG2 4.05Å; F45-V78 HydrophobicContact CZ-CG1 3.99Å; F45-F90 HydrophobicContact CB-CB 4.19Å; F45-F90 HydrophobicContact CD1-CB 4.29Å; F45-F90 PolarHBondContact N-O 2.88Å; F45-F90 PolarHBondContact O-N 3.18Å
46G81.4Confident79.7Confident19 Ų1964.8 Ų64.820%0.19638%0.381CS..EExtended strand (participates in β ladder)trans88.9-141.1176.500000115.8N35N35-G46 PolarHBondContact O-N 2.92Å
47G73.6Confident80.3Confident11 Ų1163.9 Ų63.911%0.11338%0.378CS..SBendtrans139.7-123.3-157.600000108.2Y88G47-Y88 CarbonylContact C-O 3.57Å; G47-Y88 PolarHBondContact N-O 3.44Å; G47-Y88 CarbonylContact O-C 3.58Å; G47-Y88 WeakPolarHBondContact O-CD1 3.14Å; G47-Y88 WeakPolarHBondContact O-CD2 3.29Å; G47-Y88 WeakPolarHBondContact O-CE1 3.46Å; G47-Y88 WeakPolarHBondContact O-CE2 3.3Å; G47-Y88 VanDerWaalsContact O-CZ 3.26Å
48P76.4Confident80.3Confident80 Ų8065 Ų6552%0.51939%0.387SS..SBendtrans-71.2132.4159.630.3-30.4000109.7W52 Y88P48-W52 HydrophobicContact CB-CB 4.02Å; P48-W52 HydrophobicContact CB-CG 4.26Å; P48-Y88 HydrophobicContact CB-CE2 4.38Å
49P79.8Confident80.5Confident3 Ų363.4 Ų63.42%0.01938%0.375CS..PPolyproline II helixtrans-55.3155168.4-29.335.6000113.3Y34 G51 W52 Y88 T109Y34-P49 HydrophobicContact CE1-CB 3.89Å; Y34-P49 HydrophobicContact CE1-CG 4.09Å; P49-G51 PolarHBondContact O-N 3.44Å; P49-G51 VanDerWaalsContact O-N 3.14Å; P49-W52 HydrophobicContact CB-CB 4.23Å; P49-W52 HydrophobicContact CG-CB 4.45Å; P49-W52 HydrophobicContact CG-CE3 4.43Å; P49-W52 WeakPolarHBondContact O-CB 3.2Å; P49-W52 PolarHBondContact O-N 2.82Å; P49-Y88 VanDerWaalsContact CD-CD2 3.43Å; P49-Y88 HydrophobicContact CG-CD2 4.28Å; P49-T109 HydrophobicContact CG-CG2 4.25Å
50P74.9Confident80.6Confident68 Ų6860.8 Ų60.844%0.44237%0.367SS..THydrogen-bonded Turntrans-52123.4172.8-27.535.7000111.3Y34Y34-P50 HydrophobicContact CD2-CG 4.26Å; Y34-P50 HydrophobicContact CE2-CG 4.33Å
51G75.6Confident81.3Confident80 Ų8053.8 Ų53.883%0.82533%0.33SS*.THydrogen-bonded Turntrans78.214.9-175.600000116.1P49P49-G51 PolarHBondContact O-N 3.44Å; P49-G51 VanDerWaalsContact O-N 3.14Å
52W80.9Confident81.9Confident80 Ų8053.3 Ų53.330%0.30332%0.323SS..  trans-85.7111175.7-176.5-83.6000112P48 P49 G54 P55 Y88 T109P48-W52 HydrophobicContact CB-CB 4.02Å; P48-W52 HydrophobicContact CB-CG 4.26Å; P49-W52 HydrophobicContact CB-CB 4.23Å; P49-W52 HydrophobicContact CG-CB 4.45Å; P49-W52 HydrophobicContact CG-CE3 4.43Å; P49-W52 WeakPolarHBondContact O-CB 3.2Å; P49-W52 PolarHBondContact O-N 2.82Å; W52-G54 VanDerWaalsContact CD1-O 3.28Å; W52-G54 VanDerWaalsContact NE1-C 3.32Å; W52-G54 PolarHBondContact NE1-O 3.44Å; W52-P55 PolarHBondContact NE1-O 2.85Å; W52-P55 VanDerWaalsContact NE1-O 3.11Å; W52-Y88 AromaticContact CD1-CE2 3.98Å; W52-Y88 HydrophobicContact CD2-CE2 4.47Å; W52-Y88 HydrophobicContact CG-CE2 4.43Å; W52-Y88 AromaticContact NE1-CE2 3.71Å; W52-T109 HydrophobicContact CE3-CG2 4.2Å; W52-T109 HydrophobicContact CH2-CG2 3.99Å; W52-T109 HydrophobicContact CZ3-CG2 3.61Å
53E79.1Confident82.3Confident199 Ų19951 Ų5193%0.9331%0.312SS*.  trans-100.91.3176.4-60.6-176.2165.600113.3
54G77.7Confident82.5Confident39 Ų3952 Ų5240%0.40232%0.318SS..SBendtrans-81.8168.8-178.400000114.2W52W52-G54 VanDerWaalsContact CD1-O 3.28Å; W52-G54 VanDerWaalsContact NE1-C 3.32Å; W52-G54 PolarHBondContact NE1-O 3.44Å
55P82.9Confident82.9Confident106 Ų10650.9 Ų50.969%0.68831%0.313SS*.PPolyproline II helixtrans-61.5164.3167.129.7-35.7000111.3W52W52-P55 PolarHBondContact NE1-O 2.85Å; W52-P55 VanDerWaalsContact NE1-O 3.11Å
56P83.1Confident83.4Confident91 Ų9151.1 Ų51.159%0.59132%0.316SS*.PPolyproline II helixtrans-60.3150.7170.726.4-34.9000111.4Y88P56-Y88 HydrophobicContact CB-CE1 4.35Å
57P86.4Confident84Confident17 Ų1757.1 Ų57.111%0.1134%0.337CS..PPolyproline II helixtrans-56.3143.6179.5-2734.9000112.7C61 Y88 M107 Y108P57-C61 HydrophobicContact CB-CB 3.8Å; P57-Y88 VanDerWaalsContact CD-CD2 3.47Å; P57-Y88 VanDerWaalsContact CD-CE2 3.47Å; P57-Y88 HydrophobicContact CG-CD1 3.94Å; P57-Y88 HydrophobicContact CG-CD2 3.62Å; P57-Y88 HydrophobicContact CG-CE1 4.43Å; P57-Y88 HydrophobicContact CG-CE2 4.15Å; P57-Y88 HydrophobicContact CG-CG 3.54Å; P57-M107 HydrophobicContact CB-CG 4.22Å; P57-M107 HydrophobicContact CB-SD 4.05Å; P57-M107 HydrophobicContact CG-CG 4.04Å; P57-Y108 WeakPolarHBondContact CB-O 3.27Å; P57-Y108 WeakPolarHBondContact CG-O 3.09Å
58P80.9Confident85Confident91 Ų9157 Ų5759%0.59133%0.333SS*.PPolyproline II helixtrans-69.6166.5178.330.2-35.4000111.8C61P58-C61 WeakPolarHBondContact O-CB 3.16Å; P58-C61 PolarHBondContact O-N 3.11Å; P58-C61 PolarHBondContact O-SG 3.13Å
59R80.2Confident85.9Confident97 Ų9754 Ų5437%0.36631%0.314SS..THydrogen-bonded Turntrans-55.7146177.3-63.2-168.2-170.4162.77.1112.1C61 E190 Y191R59-C61 VanDerWaalsContact C-N 3.35Å; R59-E190 IonicContact CZ-OE1 2.61Å; R59-E190 IonicContact NH1-OE1 3Å; R59-E190 PolarHBondContact NH1-OE1 3.06Å; R59-E190 IonicContact NH2-OE1 3.75Å; R59-E190 PolarHBondContact NH2-OE1 3.12Å; R59-Y191 PolarHBondContact NH2-O 2.99Å
60G81.5Confident86.5Confident16 Ų1659.9 Ų59.917%0.16534%0.336CS..THydrogen-bonded Turntrans86.3-1.5-174.900000114.8E62G60-E62 VanDerWaalsContact C-N 3.32Å
61C89.3Confident87.1Confident1 Ų160.9 Ų60.91%0.00734%0.337CS..  trans-84.7-2.7168.8-54.40000113.1P57 P58 R59 M107 Y108 T110 K111 A114P57-C61 HydrophobicContact CB-CB 3.8Å; P58-C61 WeakPolarHBondContact O-CB 3.16Å; P58-C61 PolarHBondContact O-N 3.11Å; P58-C61 PolarHBondContact O-SG 3.13Å; R59-C61 VanDerWaalsContact C-N 3.35Å; C61-M107 HydrophobicContact CB-SD 3.75Å; C61-Y108 WeakPolarHBondContact CB-O 3.48Å; C61-Y108 PolarHBondContact O-N 3.46Å; C61-T110 VanDerWaalsContact SG-C 3.52Å; C61-K111 PolarHBondContact SG-N 2.95Å; C61-K111 VanDerWaalsContact SG-N 3.37Å; C61-A114 WeakPolarHBondContact O-CB 3.37Å
62E90.6Very high87.8Confident5 Ų557.1 Ų57.12%0.02330%0.299CS..EExtended strand (participates in β ladder)trans-101.5138177.7-166174.3100.500113G60 R91 F105 V106 M107 S137G60-E62 VanDerWaalsContact C-N 3.32Å; E62-R91 IonicContact OE1-NH2 2.65Å; E62-R91 PolarHBondContact OE1-NH2 3.26Å; E62-R91 IonicContact OE2-CZ 3.13Å; E62-R91 IonicContact OE2-NE 2.82Å; E62-R91 IonicContact OE2-NH2 2.66Å; E62-R91 PolarHBondContact OE2-NH2 3.39Å; E62-F105 HydrophobicContact CG-CB 4.21Å; E62-F105 WeakPolarHBondContact OE1-CD1 3.43Å; E62-V106 CarbonylContact C-O 3.51Å; E62-V106 WeakPolarHBondContact CA-O 3.33Å; E62-M107 HydrophobicContact CB-CE 3.75Å; E62-M107 HydrophobicContact CB-SD 3.83Å; E62-M107 HydrophobicContact CG-CE 4.33Å; E62-S137 VanDerWaalsContact O-CB 3.24Å; E62-S137 WeakPolarHBondContact O-CB 3.15Å; E62-S137 PolarHBondContact O-N 3Å; E62-S137 PolarHBondContact OE1-OG 3.25Å
63V92.9Very high88.3Confident0 Ų055 Ų550%029%0.29CS..EExtended strand (participates in β ladder)trans-113.9140.9170.3-54.60000111.3V65 F105 V106 Y108 A114 A117 I118 V134 C135V63-V65 HydrophobicContact CG2-CG2 4.29Å; V63-F105 WeakPolarHBondContact O-CA 3.46Å; V63-V106 HydrophobicContact CG2-CB 3.87Å; V63-V106 HydrophobicContact CG2-CG2 4.33Å; V63-V106 PolarHBondContact N-O 3.35Å; V63-V106 PolarHBondContact O-N 3.4Å; V63-Y108 HydrophobicContact CG1-CE2 4.47Å; V63-Y108 HydrophobicContact CG2-CE2 3.94Å; V63-A114 HydrophobicContact CG1-CB 3.88Å; V63-A114 WeakPolarHBondContact CG1-O 3.06Å; V63-A117 HydrophobicContact CG1-CB 4.42Å; V63-I118 HydrophobicContact CB-CG1 4.46Å; V63-I118 HydrophobicContact CG1-CD1 3.97Å; V63-I118 HydrophobicContact CG1-CG1 3.79Å; V63-V134 HydrophobicContact CB-CG1 3.96Å; V63-V134 HydrophobicContact CG2-CG1 3.94Å; V63-C135 CarbonylContact C-O 3.59Å; V63-C135 WeakPolarHBondContact CA-O 3.32Å; V63-C135 WeakPolarHBondContact CB-O 3.19Å
64F93.7Very high88.8Confident64 Ų6445.5 Ų45.528%0.28125%0.246SC..EExtended strand (participates in β ladder)trans-85.1133.5166.8172.1-89.4000109.5Y103 F105 V134 C135F64-Y103 HydrophobicContact CD2-CD2 4.39Å; F64-Y103 AromaticContact CE2-CD2 3.58Å; F64-Y103 HydrophobicContact CE2-CD2 3.58Å; F64-Y103 HydrophobicContact CE2-CE2 4.42Å; F64-Y103 AromaticContact CE2-CG 3.93Å; F64-Y103 HydrophobicContact CE2-CG 3.93Å; F64-Y103 HydrophobicContact CZ-CD2 4.34Å; F64-Y103 HydrophobicContact CZ-CG 4.23Å; F64-F105 HydrophobicContact CB-CD1 4.49Å; F64-F105 HydrophobicContact CB-CE1 4.43Å; F64-F105 HydrophobicContact CD2-CD1 4.31Å; F64-F105 AromaticContact CD2-CE1 3.76Å; F64-F105 HydrophobicContact CD2-CE1 3.76Å; F64-F105 HydrophobicContact CD2-CZ 4.05Å; F64-V134 WeakPolarHBondContact O-CA 3.38Å; F64-C135 PolarHBondContact N-O 2.76Å; F64-C135 PolarHBondContact O-N 2.85Å
65V95.6Very high89.3Confident0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-117.8118176.2-176.60000108.6V63 I68 F81 Y103 A104 V106 I132 G133 V134V63-V65 HydrophobicContact CG2-CG2 4.29Å; V65-I68 HydrophobicContact CB-CD1 4.24Å; V65-I68 HydrophobicContact CG1-CD1 3.75Å; V65-I68 HydrophobicContact CG1-CG1 3.83Å; V65-F81 HydrophobicContact CB-CZ 4.09Å; V65-F81 HydrophobicContact CG1-CE1 4.34Å; V65-F81 HydrophobicContact CG1-CE2 4.12Å; V65-F81 HydrophobicContact CG1-CZ 3.49Å; V65-F81 VanDerWaalsContact CG1-CZ 3.49Å; V65-F81 HydrophobicContact CG2-CD1 4.39Å; V65-F81 HydrophobicContact CG2-CE1 3.5Å; V65-F81 VanDerWaalsContact CG2-CE1 3.5Å; V65-F81 HydrophobicContact CG2-CE2 4.21Å; V65-F81 HydrophobicContact CG2-CZ 3.42Å; V65-F81 VanDerWaalsContact CG2-CZ 3.42Å; V65-Y103 CarbonylContact O-C 3.58Å; V65-Y103 WeakPolarHBondContact O-CA 3.35Å; V65-Y103 WeakPolarHBondContact O-CB 3.33Å; V65-A104 HydrophobicContact CB-CB 4.42Å; V65-A104 PolarHBondContact N-O 3.06Å; V65-A104 PolarHBondContact O-N 2.77Å; V65-V106 HydrophobicContact CG2-CG2 3.8Å; V65-I132 HydrophobicContact CG1-CB 4.49Å; V65-G133 CarbonylContact C-O 3.18Å; V65-G133 WeakPolarHBondContact CA-O 3.35Å; V65-V134 HydrophobicContact CG1-CG2 4.42Å; V65-V134 HydrophobicContact CG2-CG2 4.35Å
66G94.8Very high89.6Confident7 Ų743.9 Ų43.97%0.07222%0.22CC..EExtended strand (participates in β ladder)trans-120.3172.1177.600000113.5I68 G133G66-I68 PolarHBondContact O-N 2.99Å; G66-G133 PolarHBondContact N-O 2.73Å; G66-G133 PolarHBondContact O-N 2.81Å
67K93.9Very high90.1Very high145 Ų14539.6 Ų39.663%0.6319%0.192SC*.  trans63.126-176.2-49.1174.3-176.1169.60113.7G102K67-G102 PolarHBondContact N-O 3.35Å
68I95.9Very high90.4Very high7 Ų738.8 Ų38.84%0.03619%0.187CC..  trans-64.9131.7173.4-53.7-178.7000108.2V65 G66 M72 L77 L92 G102 A104 I132V65-I68 HydrophobicContact CB-CD1 4.24Å; V65-I68 HydrophobicContact CG1-CD1 3.75Å; V65-I68 HydrophobicContact CG1-CG1 3.83Å; G66-I68 PolarHBondContact O-N 2.99Å; I68-M72 HydrophobicContact CG2-CB 4.16Å; I68-L77 HydrophobicContact CD1-CD1 4.3Å; I68-L77 HydrophobicContact CD1-CD2 4.48Å; I68-L77 HydrophobicContact CG2-CD1 3.87Å; I68-L77 HydrophobicContact CG2-CD2 4.01Å; I68-L92 HydrophobicContact CD1-CD1 4.26Å; I68-G102 PolarHBondContact N-O 3.17Å; I68-G102 WeakPolarHBondContact O-CA 3.41Å; I68-A104 HydrophobicContact CD1-CB 3.58Å; I68-I132 HydrophobicContact CG1-CG2 4.48Å
69P94.1Very high91Very high17 Ų1736.8 Ų36.811%0.1117%0.174CC..  trans-59.9137.5170.7-2334.4000111D71 M72 N100 I126 K130P69-D71 WeakPolarHBondContact CB-OD1 3.36Å; P69-D71 PolarHBondContact O-N 3.33Å; P69-M72 HydrophobicContact CB-CG 4.01Å; P69-M72 HydrophobicContact CB-SD 4.16Å; P69-M72 VanDerWaalsContact CD-SD 3.59Å; P69-M72 HydrophobicContact CG-CG 4.17Å; P69-M72 HydrophobicContact CG-SD 3.64Å; P69-M72 PolarHBondContact O-N 3.35Å; P69-M72 VanDerWaalsContact O-N 3.08Å; P69-N100 PolarHBondContact O-ND2 3.24Å; P69-I126 HydrophobicContact CG-CG2 4.33Å; P69-K130 HydrophobicContact CG-CB 4.11Å; P69-K130 HydrophobicContact CG-CG 4.22Å
70R91.8Very high91.6Very high128 Ų12833.1 Ų33.148%0.48316%0.163SC..THydrogen-bonded Turntrans-61.8-17.4-173.6-71.1-160178.6-155.4-6.3115.4E95 E99 N100R70-E95 IonicContact NH1-OE2 2.82Å; R70-E99 WeakPolarHBondContact CD-OE2 3.36Å; R70-E99 IonicContact CZ-OE2 2.74Å; R70-E99 IonicContact NE-OE2 3.91Å; R70-E99 IonicContact NH1-OE2 3.84Å; R70-E99 PolarHBondContact NH1-OE2 3.3Å; R70-N100 WeakPolarHBondContact CA-ND2 3.35Å; R70-N100 PolarHBondContact O-N 3.02Å; R70-N100 PolarHBondContact O-ND2 2.82Å
71D89.2Confident92.3Very high88 Ų8832.4 Ų32.447%0.47116%0.155SC..THydrogen-bonded Turntrans-99.12.7-178.569.1-32.9000113.7P69 Y73 R127P69-D71 WeakPolarHBondContact CB-OD1 3.36Å; P69-D71 PolarHBondContact O-N 3.33Å; D71-Y73 VanDerWaalsContact O-CD2 3.32Å; D71-Y73 WeakPolarHBondContact O-CD2 3.26Å; D71-Y73 WeakPolarHBondContact O-CE2 3.22Å; D71-R127 IonicContact OD1-CZ 3.31Å; D71-R127 IonicContact OD1-NH1 3.2Å; D71-R127 PolarHBondContact OD1-NH1 3Å; D71-R127 IonicContact OD2-CZ 2.68Å; D71-R127 IonicContact OD2-NH1 3.08Å; D71-R127 PolarHBondContact OD2-NH1 3.31Å; D71-R127 IonicContact OD2-NH2 2.71Å
72M90.3Very high92.5Very high2 Ų235.7 Ų35.71%0.0117%0.17CC..  trans-94.9141.4175.6-71.5-170.777.100112.3I68 P69 E76 L77 N100 I126 R127I68-M72 HydrophobicContact CG2-CB 4.16Å; P69-M72 HydrophobicContact CB-CG 4.01Å; P69-M72 HydrophobicContact CB-SD 4.16Å; P69-M72 VanDerWaalsContact CD-SD 3.59Å; P69-M72 HydrophobicContact CG-CG 4.17Å; P69-M72 HydrophobicContact CG-SD 3.64Å; P69-M72 PolarHBondContact O-N 3.35Å; P69-M72 VanDerWaalsContact O-N 3.08Å; M72-E76 HydrophobicContact CE-CB 3.45Å; M72-E76 VanDerWaalsContact CE-CB 3.45Å; M72-E76 HydrophobicContact CE-CG 4.17Å; M72-E76 WeakPolarHBondContact CE-OE2 3.4Å; M72-L77 HydrophobicContact CB-CD1 4.46Å; M72-L77 HydrophobicContact CE-CD2 4.28Å; M72-N100 PolarHBondContact O-ND2 3.35Å; M72-I126 HydrophobicContact CE-CD1 3.63Å; M72-I126 HydrophobicContact CE-CG1 3.74Å; M72-I126 HydrophobicContact CE-CG2 4.35Å; M72-I126 HydrophobicContact SD-CD1 4.18Å; M72-I126 HydrophobicContact SD-CG1 4.26Å; M72-I126 HydrophobicContact SD-CG2 3.74Å; M72-R127 VanDerWaalsContact CG-NH2 3.31Å
73Y91Very high92.6Very high34 Ų3442.4 Ų42.413%0.13320%0.195CC..  trans-130.4-173.5-177.2-61.6-90.6000111.1N21 D71 D75 E76 L77 L92 M94 G98N21-Y73 VanDerWaalsContact ND2-CD2 3.32Å; N21-Y73 WeakPolarHBondContact ND2-CD2 3.4Å; N21-Y73 VanDerWaalsContact ND2-CE2 3.3Å; N21-Y73 WeakPolarHBondContact ND2-CE2 3.47Å; D71-Y73 VanDerWaalsContact O-CD2 3.32Å; D71-Y73 WeakPolarHBondContact O-CD2 3.26Å; D71-Y73 WeakPolarHBondContact O-CE2 3.22Å; Y73-D75 WeakPolarHBondContact CB-OD1 3.27Å; Y73-D75 PolarHBondContact O-N 3.25Å; Y73-E76 PolarHBondContact O-N 2.92Å; Y73-L77 WeakPolarHBondContact O-CB 3.35Å; Y73-L77 WeakPolarHBondContact O-CD1 3.16Å; Y73-L77 WeakPolarHBondContact O-CG 3.27Å; Y73-L77 PolarHBondContact O-N 3.1Å; Y73-L92 HydrophobicContact CD1-CD2 4.14Å; Y73-M94 HydrophobicContact CD1-CE 4.4Å; Y73-M94 HydrophobicContact CE1-CE 3.78Å; Y73-G98 PolarHBondContact OH-O 2.93Å
74E89.3Confident92.5Very high0 Ų042.7 Ų42.70%020%0.197CC..Hα-helixtrans-66.1-26.2-169.7-53.687.1176.100112.8M36 R43 L77 V78 F90 L92M36-E74 HydrophobicContact CE-CB 3.67Å; M36-E74 HydrophobicContact CE-CG 3.58Å; R43-E74 WeakPolarHBondContact CB-OE1 3.14Å; R43-E74 WeakPolarHBondContact CD-OE1 3.09Å; R43-E74 IonicContact CZ-OE1 3.81Å; R43-E74 IonicContact CZ-OE2 2.88Å; R43-E74 IonicContact NE-OE1 3.66Å; R43-E74 PolarHBondContact NE-OE1 3.29Å; R43-E74 IonicContact NE-OE2 3.85Å; R43-E74 PolarHBondContact NE-OE2 2.79Å; R43-E74 IonicContact NH2-OE1 3.84Å; R43-E74 IonicContact NH2-OE2 2.68Å; R43-E74 PolarHBondContact NH2-OE2 2.96Å; E74-L77 PolarHBondContact O-N 3.28Å; E74-V78 HydrophobicContact CB-CG2 4.13Å; E74-V78 WeakPolarHBondContact O-CB 3.31Å; E74-V78 VanDerWaalsContact O-CG2 3.25Å; E74-V78 WeakPolarHBondContact O-CG2 3.29Å; E74-V78 PolarHBondContact O-N 3.34Å; E74-F90 HydrophobicContact CB-CE1 4.36Å; E74-F90 HydrophobicContact CG-CD1 3.97Å; E74-F90 HydrophobicContact CG-CE1 3.76Å; E74-L92 HydrophobicContact CG-CB 4.32Å; E74-L92 HydrophobicContact CG-CD2 4.34Å; E74-L92 WeakPolarHBondContact OE1-CB 3.24Å; E74-L92 WeakPolarHBondContact OE1-CD2 3.44Å
75D86.9Confident92.5Very high40 Ų4040.4 Ų40.421%0.21419%0.192CC..Hα-helixtrans-63.7-41.1174.164.1-42.5000113.5A24 Y73 P79A24-D75 HydrophobicContact CB-CB 4.13Å; A24-D75 WeakPolarHBondContact CB-OD2 3.5Å; Y73-D75 WeakPolarHBondContact CB-OD1 3.27Å; Y73-D75 PolarHBondContact O-N 3.25Å; D75-P79 WeakPolarHBondContact O-CD 3.47Å; D75-P79 WeakPolarHBondContact O-CG 3.3Å
76E90.9Very high92.3Very high72 Ų7244.8 Ų44.834%0.33621%0.211SC..Hα-helixtrans-80.4-34.6172.3-70.9-177.2-91.900112.2M72 Y73 R127M72-E76 HydrophobicContact CE-CB 3.45Å; M72-E76 VanDerWaalsContact CE-CB 3.45Å; M72-E76 HydrophobicContact CE-CG 4.17Å; M72-E76 WeakPolarHBondContact CE-OE2 3.4Å; Y73-E76 PolarHBondContact O-N 2.92Å; E76-R127 IonicContact OE1-NH2 2.65Å; E76-R127 PolarHBondContact OE1-NH2 3.45Å; E76-R127 IonicContact OE2-CZ 2.84Å; E76-R127 IonicContact OE2-NH2 3.68Å; E76-R127 PolarHBondContact OE2-NH2 2.89Å
77L93.1Very high92.2Very high0 Ų044.5 Ų44.50%021%0.208CC..Hα-helixtrans-82.4-48.9-170.8-68.4162.7000113.2I68 M72 Y73 E74 V80 F81 F90 L92 I126I68-L77 HydrophobicContact CD1-CD1 4.3Å; I68-L77 HydrophobicContact CD1-CD2 4.48Å; I68-L77 HydrophobicContact CG2-CD1 3.87Å; I68-L77 HydrophobicContact CG2-CD2 4.01Å; M72-L77 HydrophobicContact CB-CD1 4.46Å; M72-L77 HydrophobicContact CE-CD2 4.28Å; Y73-L77 WeakPolarHBondContact O-CB 3.35Å; Y73-L77 WeakPolarHBondContact O-CD1 3.16Å; Y73-L77 WeakPolarHBondContact O-CG 3.27Å; Y73-L77 PolarHBondContact O-N 3.1Å; E74-L77 PolarHBondContact O-N 3.28Å; L77-V80 WeakPolarHBondContact O-CB 3.42Å; L77-V80 PolarHBondContact O-N 2.83Å; L77-F81 HydrophobicContact CD2-CE2 4.28Å; L77-F81 VanDerWaalsContact O-CD2 3.26Å; L77-F81 WeakPolarHBondContact O-CD2 3.5Å; L77-F81 PolarHBondContact O-N 3.5Å; L77-F90 HydrophobicContact CB-CE1 4.49Å; L77-F90 HydrophobicContact CB-CE2 4.1Å; L77-F90 HydrophobicContact CB-CZ 3.66Å; L77-F90 HydrophobicContact CD1-CZ 3.97Å; L77-F90 HydrophobicContact CG-CZ 4.39Å; L77-L92 HydrophobicContact CD1-CD1 4.09Å; L77-I126 HydrophobicContact CD2-CD1 3.54Å
78V92.7Very high92.1Very high0 Ų039.2 Ų39.20%018%0.184CC..Hα-helixtrans-54.6-48.2-175.4167.20000111.9L28 F45 E74 V80 F81 E82 I87 F90L28-V78 HydrophobicContact CD2-CB 4.29Å; L28-V78 HydrophobicContact CD2-CG2 4.43Å; F45-V78 HydrophobicContact CB-CG2 4.47Å; F45-V78 HydrophobicContact CD1-CG1 4.19Å; F45-V78 HydrophobicContact CD1-CG2 3.8Å; F45-V78 HydrophobicContact CE1-CG1 3.68Å; F45-V78 HydrophobicContact CE1-CG2 4.14Å; F45-V78 HydrophobicContact CG-CG2 4.05Å; F45-V78 HydrophobicContact CZ-CG1 3.99Å; E74-V78 HydrophobicContact CB-CG2 4.13Å; E74-V78 WeakPolarHBondContact O-CB 3.31Å; E74-V78 VanDerWaalsContact O-CG2 3.25Å; E74-V78 WeakPolarHBondContact O-CG2 3.29Å; E74-V78 PolarHBondContact O-N 3.34Å; V78-V80 PolarHBondContact O-N 2.77Å; V78-V80 VanDerWaalsContact O-N 3.12Å; V78-F81 PolarHBondContact O-N 2.66Å; V78-E82 HydrophobicContact CG1-CG 4.01Å; V78-E82 WeakPolarHBondContact O-CG 3.43Å; V78-E82 PolarHBondContact O-N 2.6Å; V78-I87 HydrophobicContact CG1-CD1 4.11Å; V78-F90 HydrophobicContact CG2-CB 4.34Å; V78-F90 HydrophobicContact CG2-CD1 4.2Å; V78-F90 HydrophobicContact CG2-CD2 4.22Å; V78-F90 HydrophobicContact CG2-CG 4Å
79P92.9Very high91.9Very high50 Ų5040.5 Ų40.533%0.32519%0.19SC..Hα-helixtrans-62.1-23.1179.2-24.135.8000114.6D75D75-P79 WeakPolarHBondContact O-CD 3.47Å; D75-P79 WeakPolarHBondContact O-CG 3.3Å
80V94Very high91.8Very high20 Ų2039.7 Ų39.712%0.12119%0.185CC..Hα-helixtrans-76.3-40.9174.2177.80000110.6L77 V78 R83 L121 Y124 I126L77-V80 WeakPolarHBondContact O-CB 3.42Å; L77-V80 PolarHBondContact O-N 2.83Å; V78-V80 PolarHBondContact O-N 2.77Å; V78-V80 VanDerWaalsContact O-N 3.12Å; V80-R83 WeakPolarHBondContact O-CB 3.33Å; V80-L121 HydrophobicContact CG1-CD2 3.99Å; V80-Y124 HydrophobicContact CG1-CD1 3.96Å; V80-Y124 HydrophobicContact CG1-CE1 3.71Å; V80-I126 HydrophobicContact CG2-CD1 4.47Å; V80-I126 HydrophobicContact CG2-CG1 4.44Å
81F94.8Very high91.8Very high0 Ų034.8 Ų34.80%017%0.166CC..Hα-helixtrans-77.5-29.2-179.6-74-74.9000113.8V65 L77 V78 R83 A84 I87 F90 V106 Y108 L121 I132 V134V65-F81 HydrophobicContact CB-CZ 4.09Å; V65-F81 HydrophobicContact CG1-CE1 4.34Å; V65-F81 HydrophobicContact CG1-CE2 4.12Å; V65-F81 HydrophobicContact CG1-CZ 3.49Å; V65-F81 VanDerWaalsContact CG1-CZ 3.49Å; V65-F81 HydrophobicContact CG2-CD1 4.39Å; V65-F81 HydrophobicContact CG2-CE1 3.5Å; V65-F81 VanDerWaalsContact CG2-CE1 3.5Å; V65-F81 HydrophobicContact CG2-CE2 4.21Å; V65-F81 HydrophobicContact CG2-CZ 3.42Å; V65-F81 VanDerWaalsContact CG2-CZ 3.42Å; L77-F81 HydrophobicContact CD2-CE2 4.28Å; L77-F81 VanDerWaalsContact O-CD2 3.26Å; L77-F81 WeakPolarHBondContact O-CD2 3.5Å; L77-F81 PolarHBondContact O-N 3.5Å; V78-F81 PolarHBondContact O-N 2.66Å; F81-R83 PolarHBondContact O-N 2.86Å; F81-A84 PolarHBondContact O-N 2.87Å; F81-A84 VanDerWaalsContact O-N 3.13Å; F81-I87 HydrophobicContact CB-CD1 3.76Å; F81-F90 AromaticContact CD2-CE2 3.85Å; F81-F90 HydrophobicContact CD2-CE2 3.85Å; F81-F90 HydrophobicContact CE2-CE2 4.32Å; F81-V106 HydrophobicContact CB-CG1 4.29Å; F81-V106 HydrophobicContact CD1-CG2 4.04Å; F81-V106 HydrophobicContact CD2-CG2 4.36Å; F81-V106 HydrophobicContact CE1-CG2 4.41Å; F81-V106 HydrophobicContact CG-CG2 4.06Å; F81-Y108 PolarHBondContact O-OH 2.79Å; F81-L121 HydrophobicContact CD1-CD1 3.3Å; F81-L121 HydrophobicContact CE1-CB 4.35Å; F81-L121 HydrophobicContact CE1-CD1 3.53Å; F81-L121 HydrophobicContact CG-CD1 4.08Å; F81-L121 HydrophobicContact CZ-CD1 4.45Å; F81-I132 HydrophobicContact CE1-CD1 4.47Å; F81-I132 HydrophobicContact CE2-CD1 4.41Å; F81-I132 HydrophobicContact CZ-CD1 3.71Å; F81-V134 HydrophobicContact CE1-CG2 4.05Å; F81-V134 HydrophobicContact CZ-CG2 4.33Å
82E93.7Very high92Very high71 Ų7130.6 Ų30.633%0.33214%0.144SC..G310 helixtrans-58.7-23.9172-75.6-176137.900112.8V78 A84 G85 I87V78-E82 HydrophobicContact CG1-CG 4.01Å; V78-E82 WeakPolarHBondContact O-CG 3.43Å; V78-E82 PolarHBondContact O-N 2.6Å; E82-A84 PolarHBondContact O-N 2.65Å; E82-G85 PolarHBondContact O-N 3.49Å; E82-I87 HydrophobicContact CG-CD1 3.88Å; E82-I87 HydrophobicContact CG-CG1 4.42Å
83R92.5Very high92Very high146 Ų14631.3 Ų31.355%0.55115%0.147SC*.G310 helixtrans-64.5-18.9176.5-64.3171.459.3-167.9-3.3113.9V80 F81 Y124V80-R83 WeakPolarHBondContact O-CB 3.33Å; F81-R83 PolarHBondContact O-N 2.86Å; R83-Y124 PolarHBondContact NH1-OH 2.8Å; R83-Y124 VanDerWaalsContact NH1-OH 3.12Å
84A92.2Very high91.8Very high5 Ų529.9 Ų29.94%0.04114%0.142CC..G310 helixtrans-97.4-17.1-178.900000113.8F81 E82 Y108 A117 I120 L121F81-A84 PolarHBondContact O-N 2.87Å; F81-A84 VanDerWaalsContact O-N 3.13Å; E82-A84 PolarHBondContact O-N 2.65Å; A84-Y108 HydrophobicContact CB-CE1 4.18Å; A84-A117 VanDerWaalsContact CB-CA 3.48Å; A84-A117 HydrophobicContact CB-CB 3.56Å; A84-I120 HydrophobicContact CB-CD1 4.03Å; A84-I120 HydrophobicContact CB-CG1 4.49Å; A84-L121 HydrophobicContact CB-CD1 4.28Å
85G92.3Very high91.6Very high16 Ų1634 Ų3417%0.16516%0.161CC..SBendtrans157.9176.2-175.800000112.4E82 I87 E113E82-G85 PolarHBondContact O-N 3.49Å; G85-I87 PolarHBondContact O-N 2.91Å; G85-E113 VanDerWaalsContact CA-OE1 3.23Å; G85-E113 WeakPolarHBondContact CA-OE1 3.41Å
86K91.5Very high91.2Very high92 Ų9241.7 Ų41.740%0.419%0.193SC..  trans-72.4116.8178.3-169.8173.7-177.4-175.20109.8Y108 T109 E113K86-Y108 WeakPolarHBondContact O-CA 3.39Å; K86-T109 HydrophobicContact CB-CG2 4.1Å; K86-T109 HydrophobicContact CD-CG2 4.17Å; K86-T109 HydrophobicContact CG-CG2 4.06Å; K86-T109 PolarHBondContact O-N 2.79Å; K86-E113 PolarHBondContact N-OE1 3.3Å
87I93.1Very high90.8Very high2 Ų241.8 Ų41.81%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-71.5130.1174.7-62.1174.2000108.7Y34 V78 F81 E82 G85 F90 V106 Y108Y34-I87 PolarHBondContact OH-O 3.48Å; V78-I87 HydrophobicContact CG1-CD1 4.11Å; F81-I87 HydrophobicContact CB-CD1 3.76Å; E82-I87 HydrophobicContact CG-CD1 3.88Å; E82-I87 HydrophobicContact CG-CG1 4.42Å; G85-I87 PolarHBondContact O-N 2.91Å; I87-F90 HydrophobicContact CG2-CB 4.03Å; I87-V106 HydrophobicContact CD1-CG1 4.16Å; I87-V106 HydrophobicContact CG1-CG1 3.98Å; I87-V106 HydrophobicContact CG2-CG1 4.13Å; I87-Y108 HydrophobicContact CG1-CE1 4.11Å
88Y91.8Very high90.1Very high33 Ų3343.9 Ų43.913%0.12922%0.223CC..EExtended strand (participates in β ladder)trans-85.7-65168.3-177-92.7000108.9G47 P48 P49 W52 P56 P57 M107G47-Y88 CarbonylContact C-O 3.57Å; G47-Y88 PolarHBondContact N-O 3.44Å; G47-Y88 CarbonylContact O-C 3.58Å; G47-Y88 WeakPolarHBondContact O-CD1 3.14Å; G47-Y88 WeakPolarHBondContact O-CD2 3.29Å; G47-Y88 WeakPolarHBondContact O-CE1 3.46Å; G47-Y88 WeakPolarHBondContact O-CE2 3.3Å; G47-Y88 VanDerWaalsContact O-CZ 3.26Å; P48-Y88 HydrophobicContact CB-CE2 4.38Å; P49-Y88 VanDerWaalsContact CD-CD2 3.43Å; P49-Y88 HydrophobicContact CG-CD2 4.28Å; W52-Y88 AromaticContact CD1-CE2 3.98Å; W52-Y88 HydrophobicContact CD2-CE2 4.47Å; W52-Y88 HydrophobicContact CG-CE2 4.43Å; W52-Y88 AromaticContact NE1-CE2 3.71Å; P56-Y88 HydrophobicContact CB-CE1 4.35Å; P57-Y88 VanDerWaalsContact CD-CD2 3.47Å; P57-Y88 VanDerWaalsContact CD-CE2 3.47Å; P57-Y88 HydrophobicContact CG-CD1 3.94Å; P57-Y88 HydrophobicContact CG-CD2 3.62Å; P57-Y88 HydrophobicContact CG-CE1 4.43Å; P57-Y88 HydrophobicContact CG-CE2 4.15Å; P57-Y88 HydrophobicContact CG-CG 3.54Å; Y88-M107 WeakPolarHBondContact CB-O 3.49Å; Y88-M107 HydrophobicContact CD1-CB 4.45Å; Y88-M107 HydrophobicContact CD1-CG 3.91Å; Y88-M107 HydrophobicContact CG-CG 4.33Å; Y88-M107 PolarHBondContact N-O 3.26Å
89E91.1Very high89.8Confident34 Ų3447.6 Ų47.616%0.15924%0.241CC..EExtended strand (participates in β ladder)trans-131.9132.4177.7-171.5-170.358.300110.2K44 R91 M107K44-E89 IonicContact NZ-OE1 3.23Å; K44-E89 IonicContact NZ-OE2 3.78Å; K44-E89 PolarHBondContact NZ-OE2 3.25Å; E89-R91 HydrophobicContact CG-CG 3.84Å; E89-R91 WeakPolarHBondContact OE1-CD 3.23Å; E89-R91 WeakPolarHBondContact OE1-CG 3.18Å; E89-R91 IonicContact OE1-NE 3.39Å; E89-R91 PolarHBondContact OE1-NE 2.97Å; E89-M107 HydrophobicContact CB-CB 4.2Å; E89-M107 PolarHBondContact N-O 2.88Å; E89-M107 PolarHBondContact O-N 3.48Å
90F92.3Very high89.7Confident0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-113.9126.4169.3178.1-78000109.3K44 F45 E74 L77 V78 F81 I87 L92 A104 V106K44-F90 CarbonylContact C-O 3.54Å; K44-F90 WeakPolarHBondContact CA-O 3.36Å; F45-F90 HydrophobicContact CB-CB 4.19Å; F45-F90 HydrophobicContact CD1-CB 4.29Å; F45-F90 PolarHBondContact N-O 2.88Å; F45-F90 PolarHBondContact O-N 3.18Å; E74-F90 HydrophobicContact CB-CE1 4.36Å; E74-F90 HydrophobicContact CG-CD1 3.97Å; E74-F90 HydrophobicContact CG-CE1 3.76Å; L77-F90 HydrophobicContact CB-CE1 4.49Å; L77-F90 HydrophobicContact CB-CE2 4.1Å; L77-F90 HydrophobicContact CB-CZ 3.66Å; L77-F90 HydrophobicContact CD1-CZ 3.97Å; L77-F90 HydrophobicContact CG-CZ 4.39Å; V78-F90 HydrophobicContact CG2-CB 4.34Å; V78-F90 HydrophobicContact CG2-CD1 4.2Å; V78-F90 HydrophobicContact CG2-CD2 4.22Å; V78-F90 HydrophobicContact CG2-CG 4Å; F81-F90 AromaticContact CD2-CE2 3.85Å; F81-F90 HydrophobicContact CD2-CE2 3.85Å; F81-F90 HydrophobicContact CE2-CE2 4.32Å; I87-F90 HydrophobicContact CG2-CB 4.03Å; F90-L92 HydrophobicContact CE1-CB 4.04Å; F90-A104 HydrophobicContact CE1-CB 4.33Å; F90-A104 HydrophobicContact CE2-CB 4.35Å; F90-A104 HydrophobicContact CZ-CB 3.86Å; F90-V106 HydrophobicContact CD2-CB 4.29Å; F90-V106 HydrophobicContact CD2-CG1 4.09Å; F90-V106 HydrophobicContact CD2-CG2 3.46Å; F90-V106 VanDerWaalsContact CD2-CG2 3.46Å; F90-V106 HydrophobicContact CE2-CG2 3.62Å
91R92.1Very high89.6Confident25 Ų2549.1 Ų49.19%0.09424%0.238CC..EExtended strand (participates in β ladder)trans-121.7103.6-176-57.8-167.9-87.5114.11.8111.3R43 K44 E62 E89 A104 F105R43-R91 CarbonylContact O-C 3.51Å; R43-R91 WeakPolarHBondContact O-CA 3.23Å; K44-R91 HydrophobicContact CG-CG 4.17Å; E62-R91 IonicContact OE1-NH2 2.65Å; E62-R91 PolarHBondContact OE1-NH2 3.26Å; E62-R91 IonicContact OE2-CZ 3.13Å; E62-R91 IonicContact OE2-NE 2.82Å; E62-R91 IonicContact OE2-NH2 2.66Å; E62-R91 PolarHBondContact OE2-NH2 3.39Å; E89-R91 HydrophobicContact CG-CG 3.84Å; E89-R91 WeakPolarHBondContact OE1-CD 3.23Å; E89-R91 WeakPolarHBondContact OE1-CG 3.18Å; E89-R91 IonicContact OE1-NE 3.39Å; E89-R91 PolarHBondContact OE1-NE 2.97Å; R91-A104 CarbonylContact O-C 3.51Å; R91-A104 WeakPolarHBondContact O-CA 3.43Å; R91-A104 WeakPolarHBondContact O-CB 3.35Å; R91-F105 HydrophobicContact CB-CB 4.36Å; R91-F105 PolarHBondContact N-O 3.43Å; R91-F105 PolarHBondContact O-N 3.41Å
92L92.7Very high89.5Confident0 Ų049.9 Ų49.90%025%0.245CC..EExtended strand (participates in β ladder)trans-84.8129.2170.7-167.358.3000110.1Q42 R43 I68 Y73 E74 L77 F90 M94 N100 A104Q42-L92 CarbonylContact C-O 3.54Å; Q42-L92 WeakPolarHBondContact CA-O 3.5Å; R43-L92 HydrophobicContact CB-CB 4.44Å; R43-L92 PolarHBondContact N-O 3.48Å; R43-L92 PolarHBondContact O-N 3.35Å; I68-L92 HydrophobicContact CD1-CD1 4.26Å; Y73-L92 HydrophobicContact CD1-CD2 4.14Å; E74-L92 HydrophobicContact CG-CB 4.32Å; E74-L92 HydrophobicContact CG-CD2 4.34Å; E74-L92 WeakPolarHBondContact OE1-CB 3.24Å; E74-L92 WeakPolarHBondContact OE1-CD2 3.44Å; L77-L92 HydrophobicContact CD1-CD1 4.09Å; F90-L92 HydrophobicContact CE1-CB 4.04Å; L92-M94 HydrophobicContact CB-SD 4.41Å; L92-M94 HydrophobicContact CD2-SD 3.83Å; L92-M94 HydrophobicContact CG-SD 3.79Å; L92-N100 HydrophobicContact CD1-CB 3.96Å; L92-N100 HydrophobicContact CD2-CB 3.95Å; L92-N100 HydrophobicContact CG-CB 3.94Å; L92-A104 HydrophobicContact CD1-CB 3.94Å
93M90.7Very high89.5Confident17 Ų1749.6 Ų49.68%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-89.7127179.9-61.9-61.4-60.100110Q42 R101 Y103 F105Q42-M93 HydrophobicContact CB-SD 4.23Å; Q42-M93 HydrophobicContact CG-CE 3.82Å; Q42-M93 HydrophobicContact CG-SD 3.62Å; M93-R101 HydrophobicContact CB-CB 4.25Å; M93-R101 HydrophobicContact CB-CG 4.42Å; M93-R101 WeakPolarHBondContact O-CB 3.2Å; M93-R101 WeakPolarHBondContact O-CG 3.27Å; M93-R101 PolarHBondContact O-N 2.81Å; M93-Y103 HydrophobicContact CB-CD2 4.3Å; M93-Y103 HydrophobicContact CB-CE1 4.24Å; M93-Y103 HydrophobicContact CB-CE2 3.92Å; M93-Y103 HydrophobicContact CG-CD2 3.89Å; M93-Y103 HydrophobicContact CG-CE2 3.45Å; M93-Y103 VanDerWaalsContact CG-CE2 3.45Å; M93-Y103 PolarHBondContact N-O 3.07Å; M93-F105 HydrophobicContact CG-CD2 4.39Å; M93-F105 HydrophobicContact CG-CE2 4.22Å; M93-F105 HydrophobicContact SD-CE2 4.45Å
94M87.8Confident89.6Confident5 Ų542.7 Ų42.73%0.02522%0.216CC..EExtended strand (participates in β ladder)trans-115.8141.1-168.6-60.2-52.1-64.500112.8G41 R43 Y73 L92 G98 E99 N100 R101G41-M94 PolarHBondContact O-N 2.77Å; R43-M94 HydrophobicContact CB-CG 4.25Å; R43-M94 HydrophobicContact CG-CG 3.81Å; Y73-M94 HydrophobicContact CD1-CE 4.4Å; Y73-M94 HydrophobicContact CE1-CE 3.78Å; L92-M94 HydrophobicContact CB-SD 4.41Å; L92-M94 HydrophobicContact CD2-SD 3.83Å; L92-M94 HydrophobicContact CG-SD 3.79Å; M94-G98 WeakPolarHBondContact CE-O 3.48Å; M94-E99 VanDerWaalsContact CE-C 3.45Å; M94-E99 WeakPolarHBondContact CE-O 3.38Å; M94-N100 HydrophobicContact CE-CB 4.28Å; M94-N100 HydrophobicContact SD-CB 3.84Å; M94-R101 VanDerWaalsContact O-CZ 3.23Å; M94-R101 PolarHBondContact O-NE 3.1Å; M94-R101 PolarHBondContact O-NH2 2.62Å
95E85Confident89.7Confident86 Ų8644.2 Ų44.240%0.40222%0.222SC..  trans-85.9158.3168.5-171.6169.7-106.900110.6R70 S97 G98 E99 R101R70-E95 IonicContact NH1-OE2 2.82Å; E95-S97 WeakPolarHBondContact CB-OG 3.43Å; E95-S97 WeakPolarHBondContact CG-OG 3.38Å; E95-S97 PolarHBondContact O-N 3.23Å; E95-S97 PolarHBondContact OE2-OG 3.16Å; E95-G98 PolarHBondContact O-N 3.41Å; E95-E99 PolarHBondContact N-O 3.39Å; E95-R101 HydrophobicContact CB-CG 4.35Å
96F78.9Confident89.8Confident201 Ų20143.5 Ų43.588%0.88221%0.214SC*.THydrogen-bonded Turntrans-64.2-15.7176.1-58.3-74.2000113.3G98F96-G98 PolarHBondContact O-N 3.1Å
97S81.3Confident89.8Confident75 Ų7540.4 Ų40.452%0.52420%0.201SC..THydrogen-bonded Turntrans-70.1-16.9171.855.40000113.7E95 E99E95-S97 WeakPolarHBondContact CB-OG 3.43Å; E95-S97 WeakPolarHBondContact CG-OG 3.38Å; E95-S97 PolarHBondContact O-N 3.23Å; E95-S97 PolarHBondContact OE2-OG 3.16Å; S97-E99 PolarHBondContact OG-N 2.82Å
98G78.4Confident89.8Confident43 Ų4340.3 Ų40.344%0.44320%0.201SC..SBendtrans92.6-11.6-172.900000114.4Y73 M94 E95 F96Y73-G98 PolarHBondContact OH-O 2.93Å; M94-G98 WeakPolarHBondContact CE-O 3.48Å; E95-G98 PolarHBondContact O-N 3.41Å; F96-G98 PolarHBondContact O-N 3.1Å
99E86.4Confident89.8Confident79 Ų7939.7 Ų39.737%0.36920%0.2SC..SBendtrans-74.2155.4171-62.7-168.1147.700111.7R70 M94 E95 S97R70-E99 WeakPolarHBondContact CD-OE2 3.36Å; R70-E99 IonicContact CZ-OE2 2.74Å; R70-E99 IonicContact NE-OE2 3.91Å; R70-E99 IonicContact NH1-OE2 3.84Å; R70-E99 PolarHBondContact NH1-OE2 3.3Å; M94-E99 VanDerWaalsContact CE-C 3.45Å; M94-E99 WeakPolarHBondContact CE-O 3.38Å; E95-E99 PolarHBondContact N-O 3.39Å; S97-E99 PolarHBondContact OG-N 2.82Å
100N90.8Very high89.8Confident1 Ų140.5 Ų40.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-76.5153.2168.982.960.4000111.2P69 R70 M72 L92 M94 G102P69-N100 PolarHBondContact O-ND2 3.24Å; R70-N100 WeakPolarHBondContact CA-ND2 3.35Å; R70-N100 PolarHBondContact O-N 3.02Å; R70-N100 PolarHBondContact O-ND2 2.82Å; M72-N100 PolarHBondContact O-ND2 3.35Å; L92-N100 HydrophobicContact CD1-CB 3.96Å; L92-N100 HydrophobicContact CD2-CB 3.95Å; L92-N100 HydrophobicContact CG-CB 3.94Å; M94-N100 HydrophobicContact CE-CB 4.28Å; M94-N100 HydrophobicContact SD-CB 3.84Å; N100-G102 PolarHBondContact O-N 2.84Å; N100-G102 VanDerWaalsContact OD1-CA 3.26Å; N100-G102 WeakPolarHBondContact OD1-CA 3.48Å; N100-G102 PolarHBondContact OD1-N 2.88Å
101R91.4Very high89.7Confident101 Ų10143.6 Ų43.638%0.38122%0.221SC..EExtended strand (participates in β ladder)trans-80.57.9-178.4-63.1-173.2-171.1-175.44.3114.4M93 M94 E95 Y103M93-R101 HydrophobicContact CB-CB 4.25Å; M93-R101 HydrophobicContact CB-CG 4.42Å; M93-R101 WeakPolarHBondContact O-CB 3.2Å; M93-R101 WeakPolarHBondContact O-CG 3.27Å; M93-R101 PolarHBondContact O-N 2.81Å; M94-R101 VanDerWaalsContact O-CZ 3.23Å; M94-R101 PolarHBondContact O-NE 3.1Å; M94-R101 PolarHBondContact O-NH2 2.62Å; E95-R101 HydrophobicContact CB-CG 4.35Å; R101-Y103 HydrophobicContact CB-CD1 3.91Å; R101-Y103 HydrophobicContact CB-CE1 3.61Å; R101-Y103 WeakPolarHBondContact O-CD1 3.44Å
102G92.8Very high89.7Confident15 Ų1548 Ų4816%0.15524%0.243CC..EExtended strand (participates in β ladder)trans79.911.3-178.100000115.3K67 I68 N100K67-G102 PolarHBondContact N-O 3.35Å; I68-G102 PolarHBondContact N-O 3.17Å; I68-G102 WeakPolarHBondContact O-CA 3.41Å; N100-G102 PolarHBondContact O-N 2.84Å; N100-G102 VanDerWaalsContact OD1-CA 3.26Å; N100-G102 WeakPolarHBondContact OD1-CA 3.48Å; N100-G102 PolarHBondContact OD1-N 2.88Å
103Y94.7Very high89.8Confident66 Ų6649.7 Ų49.726%0.25925%0.251SS..EExtended strand (participates in β ladder)trans-151156.1176.170.5-81.7000113.6F64 V65 M93 R101 F105F64-Y103 HydrophobicContact CD2-CD2 4.39Å; F64-Y103 AromaticContact CE2-CD2 3.58Å; F64-Y103 HydrophobicContact CE2-CD2 3.58Å; F64-Y103 HydrophobicContact CE2-CE2 4.42Å; F64-Y103 AromaticContact CE2-CG 3.93Å; F64-Y103 HydrophobicContact CE2-CG 3.93Å; F64-Y103 HydrophobicContact CZ-CD2 4.34Å; F64-Y103 HydrophobicContact CZ-CG 4.23Å; V65-Y103 CarbonylContact O-C 3.58Å; V65-Y103 WeakPolarHBondContact O-CA 3.35Å; V65-Y103 WeakPolarHBondContact O-CB 3.33Å; M93-Y103 HydrophobicContact CB-CD2 4.3Å; M93-Y103 HydrophobicContact CB-CE1 4.24Å; M93-Y103 HydrophobicContact CB-CE2 3.92Å; M93-Y103 HydrophobicContact CG-CD2 3.89Å; M93-Y103 HydrophobicContact CG-CE2 3.45Å; M93-Y103 VanDerWaalsContact CG-CE2 3.45Å; M93-Y103 PolarHBondContact N-O 3.07Å; R101-Y103 HydrophobicContact CB-CD1 3.91Å; R101-Y103 HydrophobicContact CB-CE1 3.61Å; R101-Y103 WeakPolarHBondContact O-CD1 3.44Å; Y103-F105 HydrophobicContact CD2-CE2 4.06Å; Y103-F105 HydrophobicContact CD2-CZ 4.44Å; Y103-F105 AromaticContact CE2-CE2 3.85Å; Y103-F105 HydrophobicContact CE2-CE2 3.85Å; Y103-F105 HydrophobicContact CE2-CZ 4.27Å
104A94.6Very high89.8Confident0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-142.5167.4178.400000110.8V65 I68 F90 R91 L92V65-A104 HydrophobicContact CB-CB 4.42Å; V65-A104 PolarHBondContact N-O 3.06Å; V65-A104 PolarHBondContact O-N 2.77Å; I68-A104 HydrophobicContact CD1-CB 3.58Å; F90-A104 HydrophobicContact CE1-CB 4.33Å; F90-A104 HydrophobicContact CE2-CB 4.35Å; F90-A104 HydrophobicContact CZ-CB 3.86Å; R91-A104 CarbonylContact O-C 3.51Å; R91-A104 WeakPolarHBondContact O-CA 3.43Å; R91-A104 WeakPolarHBondContact O-CB 3.35Å; L92-A104 HydrophobicContact CD1-CB 3.94Å
105F93.4Very high90Very high38 Ų3853.3 Ų53.317%0.16727%0.268CS..EExtended strand (participates in β ladder)trans-120.3140.7169.2-61.7-88.6000109.5E62 V63 F64 R91 M93 Y103 S137E62-F105 HydrophobicContact CG-CB 4.21Å; E62-F105 WeakPolarHBondContact OE1-CD1 3.43Å; V63-F105 WeakPolarHBondContact O-CA 3.46Å; F64-F105 HydrophobicContact CB-CD1 4.49Å; F64-F105 HydrophobicContact CB-CE1 4.43Å; F64-F105 HydrophobicContact CD2-CD1 4.31Å; F64-F105 AromaticContact CD2-CE1 3.76Å; F64-F105 HydrophobicContact CD2-CE1 3.76Å; F64-F105 HydrophobicContact CD2-CZ 4.05Å; R91-F105 HydrophobicContact CB-CB 4.36Å; R91-F105 PolarHBondContact N-O 3.43Å; R91-F105 PolarHBondContact O-N 3.41Å; M93-F105 HydrophobicContact CG-CD2 4.39Å; M93-F105 HydrophobicContact CG-CE2 4.22Å; M93-F105 HydrophobicContact SD-CE2 4.45Å; Y103-F105 HydrophobicContact CD2-CE2 4.06Å; Y103-F105 HydrophobicContact CD2-CZ 4.44Å; Y103-F105 AromaticContact CE2-CE2 3.85Å; Y103-F105 HydrophobicContact CE2-CE2 3.85Å; Y103-F105 HydrophobicContact CE2-CZ 4.27Å; F105-S137 WeakPolarHBondContact CD1-OG 3.32Å
106V94Very high90.5Very high0 Ų052.1 Ų52.10%026%0.263CS..EExtended strand (participates in β ladder)trans-129.4111.2178.5-165.30000109.2E62 V63 V65 F81 I87 F90 Y108E62-V106 CarbonylContact C-O 3.51Å; E62-V106 WeakPolarHBondContact CA-O 3.33Å; V63-V106 HydrophobicContact CG2-CB 3.87Å; V63-V106 HydrophobicContact CG2-CG2 4.33Å; V63-V106 PolarHBondContact N-O 3.35Å; V63-V106 PolarHBondContact O-N 3.4Å; V65-V106 HydrophobicContact CG2-CG2 3.8Å; F81-V106 HydrophobicContact CB-CG1 4.29Å; F81-V106 HydrophobicContact CD1-CG2 4.04Å; F81-V106 HydrophobicContact CD2-CG2 4.36Å; F81-V106 HydrophobicContact CE1-CG2 4.41Å; F81-V106 HydrophobicContact CG-CG2 4.06Å; I87-V106 HydrophobicContact CD1-CG1 4.16Å; I87-V106 HydrophobicContact CG1-CG1 3.98Å; I87-V106 HydrophobicContact CG2-CG1 4.13Å; F90-V106 HydrophobicContact CD2-CB 4.29Å; F90-V106 HydrophobicContact CD2-CG1 4.09Å; F90-V106 HydrophobicContact CD2-CG2 3.46Å; F90-V106 VanDerWaalsContact CD2-CG2 3.46Å; F90-V106 HydrophobicContact CE2-CG2 3.62Å; V106-Y108 HydrophobicContact CB-CE2 4.19Å; V106-Y108 HydrophobicContact CG1-CD2 4.43Å; V106-Y108 HydrophobicContact CG1-CE2 3.86Å
107M92.6Very high91.3Very high27 Ų2742.5 Ų42.513%0.13322%0.222CC..EExtended strand (participates in β ladder)trans-88.8123.8172.2-174.170.874.500108.7P57 C61 E62 Y88 E89P57-M107 HydrophobicContact CB-CG 4.22Å; P57-M107 HydrophobicContact CB-SD 4.05Å; P57-M107 HydrophobicContact CG-CG 4.04Å; C61-M107 HydrophobicContact CB-SD 3.75Å; E62-M107 HydrophobicContact CB-CE 3.75Å; E62-M107 HydrophobicContact CB-SD 3.83Å; E62-M107 HydrophobicContact CG-CE 4.33Å; Y88-M107 WeakPolarHBondContact CB-O 3.49Å; Y88-M107 HydrophobicContact CD1-CB 4.45Å; Y88-M107 HydrophobicContact CD1-CG 3.91Å; Y88-M107 HydrophobicContact CG-CG 4.33Å; Y88-M107 PolarHBondContact N-O 3.26Å; E89-M107 HydrophobicContact CB-CB 4.2Å; E89-M107 PolarHBondContact N-O 2.88Å; E89-M107 PolarHBondContact O-N 3.48Å
108Y93.9Very high91.8Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-95.5167173-71.6-84.3000111.5P57 C61 V63 F81 A84 K86 I87 V106 T110 E113 A114 A117P57-Y108 WeakPolarHBondContact CB-O 3.27Å; P57-Y108 WeakPolarHBondContact CG-O 3.09Å; C61-Y108 WeakPolarHBondContact CB-O 3.48Å; C61-Y108 PolarHBondContact O-N 3.46Å; V63-Y108 HydrophobicContact CG1-CE2 4.47Å; V63-Y108 HydrophobicContact CG2-CE2 3.94Å; F81-Y108 PolarHBondContact O-OH 2.79Å; A84-Y108 HydrophobicContact CB-CE1 4.18Å; K86-Y108 WeakPolarHBondContact O-CA 3.39Å; I87-Y108 HydrophobicContact CG1-CE1 4.11Å; V106-Y108 HydrophobicContact CB-CE2 4.19Å; V106-Y108 HydrophobicContact CG1-CD2 4.43Å; V106-Y108 HydrophobicContact CG1-CE2 3.86Å; Y108-T110 VanDerWaalsContact C-N 3.34Å; Y108-E113 HydrophobicContact CD1-CB 3.83Å; Y108-E113 HydrophobicContact CG-CB 3.86Å; Y108-A114 HydrophobicContact CD2-CB 3.98Å; Y108-A117 HydrophobicContact CE2-CB 3.56Å; Y108-A117 WeakPolarHBondContact OH-CB 3.38Å
109T91.3Very high92.5Very high21 Ų2147.3 Ų47.313%0.12922%0.217CC..SBendtrans-73.1-25.7175.659.30000113.4P49 W52 K86 E113P49-T109 HydrophobicContact CG-CG2 4.25Å; W52-T109 HydrophobicContact CE3-CG2 4.2Å; W52-T109 HydrophobicContact CH2-CG2 3.99Å; W52-T109 HydrophobicContact CZ3-CG2 3.61Å; K86-T109 HydrophobicContact CB-CG2 4.1Å; K86-T109 HydrophobicContact CD-CG2 4.17Å; K86-T109 HydrophobicContact CG-CG2 4.06Å; K86-T109 PolarHBondContact O-N 2.79Å; T109-E113 WeakPolarHBondContact CA-OE2 2.9Å; T109-E113 PolarHBondContact N-OE2 2.89Å; T109-E113 PolarHBondContact OG1-OE2 3.16Å
110T90.7Very high92.9Very high51 Ų5147.1 Ų47.131%0.31322%0.218SC..SBendtrans-133.6163.1174.598.80000114C61 Y108 E112 E113 A114C61-T110 VanDerWaalsContact SG-C 3.52Å; Y108-T110 VanDerWaalsContact C-N 3.34Å; T110-E112 VanDerWaalsContact C-N 3.31Å; T110-E112 WeakPolarHBondContact CB-OE2 3.07Å; T110-E112 PolarHBondContact OG1-N 2.86Å; T110-E112 PolarHBondContact OG1-OE2 2.62Å; T110-E113 PolarHBondContact N-OE2 3.44Å; T110-E113 PolarHBondContact O-N 2.97Å; T110-E113 PolarHBondContact OG1-N 3.46Å; T110-A114 PolarHBondContact O-N 2.84Å
111K90.1Very high93.1Very high64 Ų6447.1 Ų47.128%0.27822%0.218SC..Hα-helixtrans-68.9-31.8179.1-173.8178-178.3-177.80111.7C61 A114 Q115 E229C61-K111 PolarHBondContact SG-N 2.95Å; C61-K111 VanDerWaalsContact SG-N 3.37Å; K111-A114 PolarHBondContact O-N 2.85Å; K111-Q115 WeakPolarHBondContact O-CG 3.38Å; K111-Q115 PolarHBondContact O-N 2.82Å; K111-E229 IonicContact NZ-OE1 3.3Å
112E91.6Very high93.2Very high118 Ų11845.8 Ų45.855%0.55122%0.218SC*.Hα-helixtrans-69.3-38.2-180-58.766.3-140.900111T110 Q115 L116T110-E112 VanDerWaalsContact C-N 3.31Å; T110-E112 WeakPolarHBondContact CB-OE2 3.07Å; T110-E112 PolarHBondContact OG1-N 2.86Å; T110-E112 PolarHBondContact OG1-OE2 2.62Å; E112-Q115 PolarHBondContact O-N 3.46Å; E112-L116 WeakPolarHBondContact O-CB 3.33Å; E112-L116 PolarHBondContact O-N 3.38Å
113E94.4Very high93.2Very high36 Ų3649.8 Ų49.817%0.16824%0.236CC..Hα-helixtrans-62.9-46.4172.2-64.7-178.4129.100111.2G85 K86 Y108 T109 T110 Q115 L116 A117G85-E113 VanDerWaalsContact CA-OE1 3.23Å; G85-E113 WeakPolarHBondContact CA-OE1 3.41Å; K86-E113 PolarHBondContact N-OE1 3.3Å; Y108-E113 HydrophobicContact CD1-CB 3.83Å; Y108-E113 HydrophobicContact CG-CB 3.86Å; T109-E113 WeakPolarHBondContact CA-OE2 2.9Å; T109-E113 PolarHBondContact N-OE2 2.89Å; T109-E113 PolarHBondContact OG1-OE2 3.16Å; T110-E113 PolarHBondContact N-OE2 3.44Å; T110-E113 PolarHBondContact O-N 2.97Å; T110-E113 PolarHBondContact OG1-N 3.46Å; E113-Q115 PolarHBondContact O-N 3.37Å; E113-L116 WeakPolarHBondContact O-CB 3.22Å; E113-L116 PolarHBondContact O-N 2.8Å; E113-L116 VanDerWaalsContact O-N 3.12Å; E113-A117 PolarHBondContact O-N 2.93Å
114A92.6Very high93.2Very high1 Ų150.1 Ų50.11%0.00824%0.238CC..Hα-helixtrans-60.6-42.6175.300000112.4C61 V63 Y108 T110 K111 L116 A117 I118C61-A114 WeakPolarHBondContact O-CB 3.37Å; V63-A114 HydrophobicContact CG1-CB 3.88Å; V63-A114 WeakPolarHBondContact CG1-O 3.06Å; Y108-A114 HydrophobicContact CD2-CB 3.98Å; T110-A114 PolarHBondContact O-N 2.84Å; K111-A114 PolarHBondContact O-N 2.85Å; A114-L116 VanDerWaalsContact C-N 3.35Å; A114-A117 WeakPolarHBondContact O-CB 3.4Å; A114-A117 PolarHBondContact O-N 3.4Å; A114-I118 WeakPolarHBondContact O-CG1 3.2Å; A114-I118 PolarHBondContact O-N 3.1Å; A114-I118 VanDerWaalsContact O-N 3.13Å
115Q91.6Very high93.2Very high97 Ų9754.5 Ų54.545%0.45326%0.258SS..Hα-helixtrans-66.9-33.5173.4-72.7-179.6-2.700112.9K111 E112 E113 R119K111-Q115 WeakPolarHBondContact O-CG 3.38Å; K111-Q115 PolarHBondContact O-N 2.82Å; E112-Q115 PolarHBondContact O-N 3.46Å; E113-Q115 PolarHBondContact O-N 3.37Å; Q115-R119 WeakPolarHBondContact O-CG 3.23Å; Q115-R119 PolarHBondContact O-N 2.8Å; Q115-R119 PolarHBondContact O-NE 3.44Å
116L94.6Very high93.2Very high60 Ų6054 Ų5431%0.31426%0.257SS..Hα-helixtrans-67.7-41.6173.8-176.358.1000110.9E112 E113 A114 I118 R119 I120E112-L116 WeakPolarHBondContact O-CB 3.33Å; E112-L116 PolarHBondContact O-N 3.38Å; E113-L116 WeakPolarHBondContact O-CB 3.22Å; E113-L116 PolarHBondContact O-N 2.8Å; E113-L116 VanDerWaalsContact O-N 3.12Å; A114-L116 VanDerWaalsContact C-N 3.35Å; L116-I118 PolarHBondContact O-N 3.41Å; L116-R119 PolarHBondContact O-N 2.85Å; L116-R119 VanDerWaalsContact O-N 3.08Å; L116-I120 HydrophobicContact CD1-CG2 3.8Å; L116-I120 HydrophobicContact CG-CD1 4.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.32Å; L116-I120 PolarHBondContact O-N 2.87Å
117A95.5Very high93.1Very high0 Ų057.4 Ų57.40%027%0.27CS..Hα-helixtrans-57.5-46.7174.900000111.8V63 A84 Y108 E113 A114 R119 I120 L121V63-A117 HydrophobicContact CG1-CB 4.42Å; A84-A117 VanDerWaalsContact CB-CA 3.48Å; A84-A117 HydrophobicContact CB-CB 3.56Å; Y108-A117 HydrophobicContact CE2-CB 3.56Å; Y108-A117 WeakPolarHBondContact OH-CB 3.38Å; E113-A117 PolarHBondContact O-N 2.93Å; A114-A117 WeakPolarHBondContact O-CB 3.4Å; A114-A117 PolarHBondContact O-N 3.4Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 2.98Å; A117-I120 PolarHBondContact O-N 3.24Å; A117-L121 HydrophobicContact CB-CD1 4.36Å; A117-L121 WeakPolarHBondContact O-CA 3.46Å; A117-L121 VanDerWaalsContact O-CB 3.23Å; A117-L121 WeakPolarHBondContact O-CB 3.39Å; A117-L121 PolarHBondContact O-N 3.43Å
118I93.3Very high93.1Very high40 Ų4061.7 Ų61.721%0.20530%0.3CS..Hα-helixtrans-59.9-40.8174.9-64.7162.5000111.2V63 A114 L116 N122 V134 V136V63-I118 HydrophobicContact CB-CG1 4.46Å; V63-I118 HydrophobicContact CG1-CD1 3.97Å; V63-I118 HydrophobicContact CG1-CG1 3.79Å; A114-I118 WeakPolarHBondContact O-CG1 3.2Å; A114-I118 PolarHBondContact O-N 3.1Å; A114-I118 VanDerWaalsContact O-N 3.13Å; L116-I118 PolarHBondContact O-N 3.41Å; I118-N122 WeakPolarHBondContact O-CB 3.49Å; I118-N122 PolarHBondContact O-N 2.88Å; I118-V134 HydrophobicContact CG1-CG1 4.09Å; I118-V136 HydrophobicContact CD1-CB 4.33Å; I118-V136 HydrophobicContact CD1-CG2 3.55Å
119R92.9Very high93.1Very high179 Ų17964.3 Ų64.368%0.67533%0.326SS*.Hα-helixtrans-69.3-37.6-178.9-75.9-177.5-67.3162.9-1.8113.8Q115 L116 A117Q115-R119 WeakPolarHBondContact O-CG 3.23Å; Q115-R119 PolarHBondContact O-N 2.8Å; Q115-R119 PolarHBondContact O-NE 3.44Å; L116-R119 PolarHBondContact O-N 2.85Å; L116-R119 VanDerWaalsContact O-N 3.08Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 2.98Å
120I94.9Very high93.2Very high75 Ų7568.7 Ų68.739%0.38534%0.344SS..Hα-helixtrans-104.4-20.1-172.177.3-175.9000114.3A84 L116 A117A84-I120 HydrophobicContact CB-CD1 4.03Å; A84-I120 HydrophobicContact CB-CG1 4.49Å; L116-I120 HydrophobicContact CD1-CG2 3.8Å; L116-I120 HydrophobicContact CG-CD1 4.26Å; L116-I120 WeakPolarHBondContact O-CG1 3.32Å; L116-I120 PolarHBondContact O-N 2.87Å; A117-I120 PolarHBondContact O-N 3.24Å
121L94.5Very high93.4Very high0 Ų070.9 Ų70.90%035%0.349CS..Hα-helixtrans-109.7-11.9-176.3-54.2178.9000113.9V80 F81 A84 A117 N123 Y124 I132 V134V80-L121 HydrophobicContact CG1-CD2 3.99Å; F81-L121 HydrophobicContact CD1-CD1 3.3Å; F81-L121 HydrophobicContact CE1-CB 4.35Å; F81-L121 HydrophobicContact CE1-CD1 3.53Å; F81-L121 HydrophobicContact CG-CD1 4.08Å; F81-L121 HydrophobicContact CZ-CD1 4.45Å; A84-L121 HydrophobicContact CB-CD1 4.28Å; A117-L121 HydrophobicContact CB-CD1 4.36Å; A117-L121 WeakPolarHBondContact O-CA 3.46Å; A117-L121 VanDerWaalsContact O-CB 3.23Å; A117-L121 WeakPolarHBondContact O-CB 3.39Å; A117-L121 PolarHBondContact O-N 3.43Å; L121-N123 PolarHBondContact O-N 2.84Å; L121-Y124 HydrophobicContact CD2-CG 4.48Å; L121-Y124 WeakPolarHBondContact O-CB 3.37Å; L121-Y124 PolarHBondContact O-N 2.82Å; L121-Y124 VanDerWaalsContact O-N 3.12Å; L121-I132 HydrophobicContact CB-CD1 4.47Å; L121-V134 HydrophobicContact CB-CG2 3.9Å; L121-V134 WeakPolarHBondContact O-CG2 3.48Å
122N93.9Very high93.7Very high73 Ų7367.8 Ų67.839%0.3934%0.336SS..THydrogen-bonded Turntrans-71.7128.6174.5-173.632.5000111.2I118 Y124 V134I118-N122 WeakPolarHBondContact O-CB 3.49Å; I118-N122 PolarHBondContact O-N 2.88Å; N122-Y124 PolarHBondContact O-N 2.68Å; N122-V134 HydrophobicContact CB-CB 4.12Å; N122-V134 WeakPolarHBondContact CB-O 3.39Å; N122-V134 PolarHBondContact OD1-N 3.29Å; N122-V134 PolarHBondContact OD1-O 3.28Å
123N92.9Very high93.9Very high100 Ų10062.9 Ų62.954%0.53532%0.316SS..THydrogen-bonded Turntrans5826.8-166.6-57.8-42.6000113.8L121 F131 I132L121-N123 PolarHBondContact O-N 2.84Å; N123-F131 WeakPolarHBondContact O-CD1 3.03Å; N123-I132 WeakPolarHBondContact CA-O 3.17Å; N123-I132 PolarHBondContact N-O 2.91Å
124Y93.5Very high93.9Very high72 Ų7261.2 Ų61.228%0.28231%0.308SS..EExtended strand (participates in β ladder)trans-70.6132.7171.5178.6-102.3000111V80 R83 L121 N122 I126 F131 I132V80-Y124 HydrophobicContact CG1-CD1 3.96Å; V80-Y124 HydrophobicContact CG1-CE1 3.71Å; R83-Y124 PolarHBondContact NH1-OH 2.8Å; R83-Y124 VanDerWaalsContact NH1-OH 3.12Å; L121-Y124 HydrophobicContact CD2-CG 4.48Å; L121-Y124 WeakPolarHBondContact O-CB 3.37Å; L121-Y124 PolarHBondContact O-N 2.82Å; L121-Y124 VanDerWaalsContact O-N 3.12Å; N122-Y124 PolarHBondContact O-N 2.68Å; Y124-I126 HydrophobicContact CD1-CB 4.22Å; Y124-I126 HydrophobicContact CD1-CG1 4.42Å; Y124-I126 HydrophobicContact CE1-CB 4.37Å; Y124-I126 HydrophobicContact CE1-CG1 4.29Å; Y124-I126 PolarHBondContact O-N 2.82Å; Y124-F131 VanDerWaalsContact O-CA 3.31Å; Y124-F131 WeakPolarHBondContact O-CA 3.39Å; Y124-I132 HydrophobicContact CD1-CD1 4.34Å; Y124-I132 HydrophobicContact CD1-CG1 4.44Å; Y124-I132 WeakPolarHBondContact O-CG1 3.36Å; Y124-I132 PolarHBondContact O-N 2.73Å
125E95.2Very high93.7Very high93 Ų9364.1 Ų64.144%0.43533%0.328SS..EExtended strand (participates in β ladder)trans-77.2102.2173.8-167.4168.4-165.400109.5R127 P128 G129 K130 F131E125-R127 WeakPolarHBondContact CG-O 3.47Å; E125-P128 WeakPolarHBondContact OE1-CA 3.49Å; E125-G129 PolarHBondContact OE1-N 3.35Å; E125-K130 WeakPolarHBondContact CA-O 3.46Å; E125-F131 HydrophobicContact CB-CD1 3.82Å; E125-F131 HydrophobicContact CB-CE1 3.57Å; E125-F131 HydrophobicContact CB-CZ 4.29Å; E125-F131 HydrophobicContact CG-CD1 4.28Å; E125-F131 HydrophobicContact CG-CE1 3.87Å; E125-F131 HydrophobicContact CG-CZ 4.08Å
126I93.1Very high93.5Very high26 Ų2663.2 Ų63.213%0.13333%0.329CS..EExtended strand (participates in β ladder)trans-86.1-23.3-176.1-154.9167.9000112.5P69 M72 L77 V80 Y124 K130 I132P69-I126 HydrophobicContact CG-CG2 4.33Å; M72-I126 HydrophobicContact CE-CD1 3.63Å; M72-I126 HydrophobicContact CE-CG1 3.74Å; M72-I126 HydrophobicContact CE-CG2 4.35Å; M72-I126 HydrophobicContact SD-CD1 4.18Å; M72-I126 HydrophobicContact SD-CG1 4.26Å; M72-I126 HydrophobicContact SD-CG2 3.74Å; L77-I126 HydrophobicContact CD2-CD1 3.54Å; V80-I126 HydrophobicContact CG2-CD1 4.47Å; V80-I126 HydrophobicContact CG2-CG1 4.44Å; Y124-I126 HydrophobicContact CD1-CB 4.22Å; Y124-I126 HydrophobicContact CD1-CG1 4.42Å; Y124-I126 HydrophobicContact CE1-CB 4.37Å; Y124-I126 HydrophobicContact CE1-CG1 4.29Å; Y124-I126 PolarHBondContact O-N 2.82Å; I126-K130 HydrophobicContact CG2-CB 4.41Å; I126-K130 PolarHBondContact N-O 3.39Å; I126-I132 HydrophobicContact CB-CG2 4.21Å; I126-I132 HydrophobicContact CD1-CD1 4.39Å; I126-I132 HydrophobicContact CD1-CG2 4.11Å; I126-I132 HydrophobicContact CG2-CG2 3.92Å
127R92.6Very high93Very high72 Ų7260.8 Ų60.827%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-154.7151176.4-171.8177.9-69174.2-6.6107.1D71 M72 E76 E125 G129 K130D71-R127 IonicContact OD1-CZ 3.31Å; D71-R127 IonicContact OD1-NH1 3.2Å; D71-R127 PolarHBondContact OD1-NH1 3Å; D71-R127 IonicContact OD2-CZ 2.68Å; D71-R127 IonicContact OD2-NH1 3.08Å; D71-R127 PolarHBondContact OD2-NH1 3.31Å; D71-R127 IonicContact OD2-NH2 2.71Å; M72-R127 VanDerWaalsContact CG-NH2 3.31Å; E76-R127 IonicContact OE1-NH2 2.65Å; E76-R127 PolarHBondContact OE1-NH2 3.45Å; E76-R127 IonicContact OE2-CZ 2.84Å; E76-R127 IonicContact OE2-NH2 3.68Å; E76-R127 PolarHBondContact OE2-NH2 2.89Å; E125-R127 WeakPolarHBondContact CG-O 3.47Å; R127-G129 PolarHBondContact O-N 3.41Å; R127-G129 VanDerWaalsContact O-N 3.12Å; R127-K130 HydrophobicContact CB-CB 4.15Å; R127-K130 HydrophobicContact CB-CG 4.27Å; R127-K130 WeakPolarHBondContact O-CA 3.33Å; R127-K130 WeakPolarHBondContact O-CB 3.33Å; R127-K130 PolarHBondContact O-N 3.24Å
128P92.8Very high92.1Very high118 Ų11866.5 Ų66.577%0.76635%0.347SS*.THydrogen-bonded Turntrans-47.3119.4-177-33.937.6000114.2E125 K130E125-P128 WeakPolarHBondContact OE1-CA 3.49Å; P128-K130 VanDerWaalsContact C-N 3.31Å; P128-K130 PolarHBondContact O-N 3.43Å
129G92.8Very high91.2Very high54 Ų5466.4 Ų66.456%0.55735%0.347SS*.THydrogen-bonded Turntrans72.711.4-176.600000115.9E125 R127E125-G129 PolarHBondContact OE1-N 3.35Å; R127-G129 PolarHBondContact O-N 3.41Å; R127-G129 VanDerWaalsContact O-N 3.12Å
130K93.9Very high90.7Very high114 Ų11459 Ų5950%0.49632%0.321SS..EExtended strand (participates in β ladder)trans-120.8110.5180-57.3-61.2-178.4-174.90110.7P69 E125 I126 R127 P128P69-K130 HydrophobicContact CG-CB 4.11Å; P69-K130 HydrophobicContact CG-CG 4.22Å; E125-K130 WeakPolarHBondContact CA-O 3.46Å; I126-K130 HydrophobicContact CG2-CB 4.41Å; I126-K130 PolarHBondContact N-O 3.39Å; R127-K130 HydrophobicContact CB-CB 4.15Å; R127-K130 HydrophobicContact CB-CG 4.27Å; R127-K130 WeakPolarHBondContact O-CA 3.33Å; R127-K130 WeakPolarHBondContact O-CB 3.33Å; R127-K130 PolarHBondContact O-N 3.24Å; P128-K130 VanDerWaalsContact C-N 3.31Å; P128-K130 PolarHBondContact O-N 3.43Å
131F95.3Very high90.4Very high96 Ų9655.5 Ų55.542%0.42130%0.303SS..EExtended strand (participates in β ladder)trans-110120.9-177.3-57.5-91000110.9N123 Y124 E125N123-F131 WeakPolarHBondContact O-CD1 3.03Å; Y124-F131 VanDerWaalsContact O-CA 3.31Å; Y124-F131 WeakPolarHBondContact O-CA 3.39Å; E125-F131 HydrophobicContact CB-CD1 3.82Å; E125-F131 HydrophobicContact CB-CE1 3.57Å; E125-F131 HydrophobicContact CB-CZ 4.29Å; E125-F131 HydrophobicContact CG-CD1 4.28Å; E125-F131 HydrophobicContact CG-CE1 3.87Å; E125-F131 HydrophobicContact CG-CZ 4.08Å
132I96.2Very high90.3Very high0 Ų057.8 Ų57.80%031%0.312CS..EExtended strand (participates in β ladder)trans-76.6146.6172.953161000110.7V65 I68 F81 L121 N123 Y124 I126 V134V65-I132 HydrophobicContact CG1-CB 4.49Å; I68-I132 HydrophobicContact CG1-CG2 4.48Å; F81-I132 HydrophobicContact CE1-CD1 4.47Å; F81-I132 HydrophobicContact CE2-CD1 4.41Å; F81-I132 HydrophobicContact CZ-CD1 3.71Å; L121-I132 HydrophobicContact CB-CD1 4.47Å; N123-I132 WeakPolarHBondContact CA-O 3.17Å; N123-I132 PolarHBondContact N-O 2.91Å; Y124-I132 HydrophobicContact CD1-CD1 4.34Å; Y124-I132 HydrophobicContact CD1-CG1 4.44Å; Y124-I132 WeakPolarHBondContact O-CG1 3.36Å; Y124-I132 PolarHBondContact O-N 2.73Å; I126-I132 HydrophobicContact CB-CG2 4.21Å; I126-I132 HydrophobicContact CD1-CD1 4.39Å; I126-I132 HydrophobicContact CD1-CG2 4.11Å; I126-I132 HydrophobicContact CG2-CG2 3.92Å; I132-V134 HydrophobicContact CD1-CG2 4.07Å
133G94.8Very high90.3Very high14 Ų1454.3 Ų54.314%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-104.5131.117000000109.8V65 G66V65-G133 CarbonylContact C-O 3.18Å; V65-G133 WeakPolarHBondContact CA-O 3.35Å; G66-G133 PolarHBondContact N-O 2.73Å; G66-G133 PolarHBondContact O-N 2.81Å
134V94.1Very high90.4Very high1 Ų152.3 Ų52.31%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-125126.7179.1-174.40000109V63 F64 V65 F81 I118 L121 N122 I132V63-V134 HydrophobicContact CB-CG1 3.96Å; V63-V134 HydrophobicContact CG2-CG1 3.94Å; F64-V134 WeakPolarHBondContact O-CA 3.38Å; V65-V134 HydrophobicContact CG1-CG2 4.42Å; V65-V134 HydrophobicContact CG2-CG2 4.35Å; F81-V134 HydrophobicContact CE1-CG2 4.05Å; F81-V134 HydrophobicContact CZ-CG2 4.33Å; I118-V134 HydrophobicContact CG1-CG1 4.09Å; L121-V134 HydrophobicContact CB-CG2 3.9Å; L121-V134 WeakPolarHBondContact O-CG2 3.48Å; N122-V134 HydrophobicContact CB-CB 4.12Å; N122-V134 WeakPolarHBondContact CB-O 3.39Å; N122-V134 PolarHBondContact OD1-N 3.29Å; N122-V134 PolarHBondContact OD1-O 3.28Å; I132-V134 HydrophobicContact CD1-CG2 4.07Å
135C90Very high90.4Very high62 Ų6248.9 Ų48.942%0.41927%0.266SS..EExtended strand (participates in β ladder)trans-144170.6178.660.30000111.6V63 F64 S137V63-C135 CarbonylContact C-O 3.59Å; V63-C135 WeakPolarHBondContact CA-O 3.32Å; V63-C135 WeakPolarHBondContact CB-O 3.19Å; F64-C135 PolarHBondContact N-O 2.76Å; F64-C135 PolarHBondContact O-N 2.85Å; C135-S137 PolarHBondContact O-N 3.43Å
136V86.5Confident90.3Very high79 Ų7944.5 Ų44.548%0.47925%0.246SC..EExtended strand (participates in β ladder)trans-57.4128.4176.1-177.60000109.6I118I118-V136 HydrophobicContact CD1-CB 4.33Å; I118-V136 HydrophobicContact CD1-CG2 3.55Å
137S84.3Confident90.1Very high9 Ų945.4 Ų45.46%0.06326%0.258CS..  trans-70132170-161.60000109.2E62 F105 C135E62-S137 VanDerWaalsContact O-CB 3.24Å; E62-S137 WeakPolarHBondContact O-CB 3.15Å; E62-S137 PolarHBondContact O-N 3Å; E62-S137 PolarHBondContact OE1-OG 3.25Å; F105-S137 WeakPolarHBondContact CD1-OG 3.32Å; C135-S137 PolarHBondContact O-N 3.43Å
138L76.3Confident90.1Very high119 Ų11942.3 Ų42.362%0.62325%0.246SC*.  trans-101.385.2174.3-67.2-179.9000108.6N140L138-N140 PolarHBondContact O-N 3.29Å
139D74.1Confident90.1Very high39 Ų3937.8 Ų37.821%0.20922%0.217CC..  trans-6499.5177-66.8-31.5000110.2C141D139-C141 VanDerWaalsContact C-N 3.3Å; D139-C141 PolarHBondContact O-N 2.88Å
140N82.9Confident90.1Very high22 Ų2240.7 Ų40.712%0.11821%0.214CC..  trans-74.890.5172.3-162.2-14.7000109.3L138 R142 H194 W220 A221 P223L138-N140 PolarHBondContact O-N 3.29Å; N140-R142 PolarHBondContact OD1-N 3.33Å; N140-R142 PolarHBondContact OD1-O 2.76Å; N140-R142 VanDerWaalsContact OD1-O 3.11Å; N140-H194 PolarHBondContact O-ND1 2.89Å; N140-W220 HydrophobicContact CB-CE3 4.12Å; N140-W220 HydrophobicContact CB-CZ3 4.35Å; N140-W220 WeakPolarHBondContact O-CZ3 3.3Å; N140-A221 PolarHBondContact ND2-O 2.76Å; N140-P223 HydrophobicContact CB-CG 4.42Å
141C88.8Confident90Very high3 Ų340.6 Ų40.62%0.0222%0.216CC..  trans-98.69.2179.1-630000112.9D139 Y191 H194D139-C141 VanDerWaalsContact C-N 3.3Å; D139-C141 PolarHBondContact O-N 2.88Å; C141-Y191 WeakPolarHBondContact CB-O 3.27Å; C141-Y191 PolarHBondContact O-N 3.3Å; C141-H194 PolarHBondContact SG-N 3.37Å
142R92.4Very high89.8Confident47 Ų4738.7 Ų38.718%0.17721%0.207CC..EExtended strand (participates in β ladder)trans-122.1126.7-172.4-169-178.8-74.4163.1-1.2110.5N140 F188 V189 E190 A221 E224N140-R142 PolarHBondContact OD1-N 3.33Å; N140-R142 PolarHBondContact OD1-O 2.76Å; N140-R142 VanDerWaalsContact OD1-O 3.11Å; R142-F188 HydrophobicContact CG-CB 3.98Å; R142-F188 HydrophobicContact CG-CD1 4.37Å; R142-V189 CarbonylContact C-O 3.55Å; R142-V189 WeakPolarHBondContact CA-O 3.43Å; R142-E190 IonicContact CZ-OE2 3.81Å; R142-E190 VanDerWaalsContact CZ-OE2 3.31Å; R142-E190 IonicContact NE-OE2 2.62Å; R142-E190 PolarHBondContact NE-OE2 3.32Å; R142-E190 VanDerWaalsContact NE-OE2 3.08Å; R142-E190 IonicContact NH2-OE1 3.63Å; R142-E190 IonicContact NH2-OE2 3.51Å; R142-E190 PolarHBondContact NH2-OE2 3.44Å; R142-A221 HydrophobicContact CB-CB 3.92Å; R142-A221 HydrophobicContact CG-CB 3.76Å; R142-A221 VanDerWaalsContact O-CB 3.26Å; R142-A221 WeakPolarHBondContact O-CB 3.42Å; R142-A221 PolarHBondContact O-N 2.88Å; R142-E224 IonicContact CZ-OE2 2.65Å; R142-E224 IonicContact NH1-OE2 3.88Å; R142-E224 PolarHBondContact NH1-OE2 2.85Å; R142-E224 IonicContact NH2-OE2 3Å; R142-E224 PolarHBondContact NH2-OE2 3.13Å
143L93.9Very high89.6Confident0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-101.7141.4173.4-60.6-176.2000110.3I145 F188 V189 Y191 A200 R201 L204 V218 D219 W220L143-I145 HydrophobicContact CB-CD1 4.19Å; L143-F188 CarbonylContact O-C 3.56Å; L143-F188 VanDerWaalsContact O-CA 3.27Å; L143-F188 WeakPolarHBondContact O-CA 3.4Å; L143-V189 PolarHBondContact N-O 2.96Å; L143-V189 PolarHBondContact O-N 3.41Å; L143-Y191 HydrophobicContact CB-CE2 4.22Å; L143-Y191 HydrophobicContact CD1-CE2 3.67Å; L143-Y191 HydrophobicContact CG-CD2 4.34Å; L143-Y191 HydrophobicContact CG-CE2 3.74Å; L143-A200 HydrophobicContact CD1-CB 4.02Å; L143-R201 HydrophobicContact CD1-CB 3.92Å; L143-R201 HydrophobicContact CD2-CB 3.91Å; L143-R201 HydrophobicContact CD2-CG 4.32Å; L143-L204 HydrophobicContact CD1-CD1 4.46Å; L143-V218 HydrophobicContact CD1-CG1 4.12Å; L143-D219 CarbonylContact C-O 3.57Å; L143-D219 WeakPolarHBondContact CA-O 3.28Å; L143-W220 HydrophobicContact CD2-CD2 4.06Å; L143-W220 HydrophobicContact CD2-CE3 3.45Å; L143-W220 VanDerWaalsContact CD2-CE3 3.45Å; L143-W220 HydrophobicContact CD2-CH2 4.31Å; L143-W220 HydrophobicContact CD2-CZ3 3.58Å
144F94.9Very high89.5Confident59 Ų5947.8 Ų47.826%0.25924%0.242SC..EExtended strand (participates in β ladder)trans-85.3126.4162.3172.1-92.4000108.7F186 F188 V218 D219F144-F186 HydrophobicContact CD2-CB 4.4Å; F144-F186 HydrophobicContact CD2-CD2 4.23Å; F144-F186 HydrophobicContact CE2-CB 3.49Å; F144-F186 VanDerWaalsContact CE2-CB 3.49Å; F144-F186 HydrophobicContact CE2-CD1 4.34Å; F144-F186 AromaticContact CE2-CD2 3.63Å; F144-F186 HydrophobicContact CE2-CD2 3.63Å; F144-F186 HydrophobicContact CE2-CE2 4.44Å; F144-F186 AromaticContact CE2-CG 3.58Å; F144-F186 HydrophobicContact CE2-CG 3.58Å; F144-F186 HydrophobicContact CZ-CB 3.63Å; F144-F186 HydrophobicContact CZ-CG 4.09Å; F144-F188 HydrophobicContact CB-CD1 4.24Å; F144-F188 HydrophobicContact CB-CE1 4.1Å; F144-F188 HydrophobicContact CD2-CD1 4.35Å; F144-F188 AromaticContact CD2-CE1 3.79Å; F144-F188 HydrophobicContact CD2-CE1 3.79Å; F144-F188 HydrophobicContact CD2-CZ 4.05Å; F144-F188 HydrophobicContact CG-CE1 4.45Å; F144-V218 WeakPolarHBondContact O-CA 3.27Å; F144-D219 PolarHBondContact N-O 2.62Å; F144-D219 PolarHBondContact O-N 3.17Å
145I93.5Very high89.6Confident0 Ų053 Ų530%027%0.267CS..EExtended strand (participates in β ladder)trans-116.9102.9173.9-50.1-62.6000108.2L143 I148 M161 F186 A187 V189 L204 I216 Q217 V218L143-I145 HydrophobicContact CB-CD1 4.19Å; I145-I148 HydrophobicContact CG2-CG2 3.9Å; I145-M161 HydrophobicContact CD1-CE 4.39Å; I145-F186 CarbonylContact O-C 3.6Å; I145-F186 WeakPolarHBondContact O-CA 3.42Å; I145-F186 WeakPolarHBondContact O-CB 3.36Å; I145-A187 PolarHBondContact N-O 3.14Å; I145-A187 PolarHBondContact O-N 2.96Å; I145-V189 HydrophobicContact CG1-CB 4.4Å; I145-V189 HydrophobicContact CG1-CG2 3.52Å; I145-L204 HydrophobicContact CD1-CD1 4.18Å; I145-I216 HydrophobicContact CG2-CB 4.19Å; I145-I216 HydrophobicContact CG2-CD1 4.07Å; I145-I216 HydrophobicContact CG2-CG2 4.3Å; I145-Q217 CarbonylContact C-O 3.52Å; I145-Q217 WeakPolarHBondContact CA-O 3.32Å; I145-V218 HydrophobicContact CD1-CB 4.15Å; I145-V218 HydrophobicContact CD1-CG1 3.78Å; I145-V218 HydrophobicContact CD1-CG2 3.55Å
146G92.5Very high89.7Confident1 Ų153.5 Ų53.51%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-95.7172.3176.200000113.4I148 Q217G146-I148 VanDerWaalsContact C-N 3.27Å; G146-I148 PolarHBondContact O-N 2.87Å; G146-Q217 PolarHBondContact N-O 3.46Å; G146-Q217 PolarHBondContact O-N 2.88Å
147A90.5Very high90.1Very high45 Ų4549.7 Ų49.737%0.37224%0.24SC..SBendtrans60.428.8-177.800000114.8G185 Q217A147-G185 PolarHBondContact N-O 2.96Å; A147-Q217 HydrophobicContact CB-CG 4.44Å
148I92.1Very high90.6Very high7 Ų750.6 Ų50.64%0.03624%0.244CC..  trans-77.9149.417163.5169.4000111.3I145 G146 I157 G185 A187 L211 W212 I216I145-I148 HydrophobicContact CG2-CG2 3.9Å; G146-I148 VanDerWaalsContact C-N 3.27Å; G146-I148 PolarHBondContact O-N 2.87Å; I148-I157 HydrophobicContact CD1-CD1 3.66Å; I148-I157 HydrophobicContact CD1-CG1 4.34Å; I148-G185 VanDerWaalsContact CG1-C 3.44Å; I148-G185 PolarHBondContact N-O 3.41Å; I148-G185 WeakPolarHBondContact O-CA 3.45Å; I148-A187 HydrophobicContact CD1-CB 3.88Å; I148-L211 HydrophobicContact CG2-CD2 4.34Å; I148-W212 HydrophobicContact CB-CZ3 4.25Å; I148-W212 HydrophobicContact CG2-CZ3 4.26Å; I148-I216 HydrophobicContact CG2-CG2 4.38Å
149P92.1Very high91.5Very high22 Ų2249.2 Ų49.214%0.14324%0.237CC..  trans-60.4139.2172.8-2132.8000111.4E151 K152 N183 W212P149-E151 PolarHBondContact O-N 2.89Å; P149-K152 HydrophobicContact CB-CG 4.2Å; P149-K152 HydrophobicContact CG-CG 4.49Å; P149-K152 PolarHBondContact O-N 2.81Å; P149-N183 PolarHBondContact O-ND2 2.76Å; P149-W212 VanDerWaalsContact CD-CE3 3.46Å; P149-W212 HydrophobicContact CG-CE3 3.93Å
150K92.6Very high92.4Very high116 Ų11649.5 Ų49.550%0.50424%0.237SC..THydrogen-bonded Turntrans-75.4-16-169.5-69.4-179.7-178.6172.20113.5K182 N183K150-K182 HydrophobicContact CB-CB 4.32Å; K150-K182 HydrophobicContact CB-CD 4.4Å; K150-K182 CarbonylContact O-C 3.55Å; K150-K182 VanDerWaalsContact O-CA 3.23Å; K150-K182 WeakPolarHBondContact O-CA 3.18Å; K150-K182 WeakPolarHBondContact O-CB 3.48Å; K150-N183 PolarHBondContact O-N 3.01Å; K150-N183 PolarHBondContact O-ND2 3.01Å
151E92.3Very high92.8Very high112 Ų11248.5 Ų48.552%0.52323%0.232SC..THydrogen-bonded Turntrans-84.8-12.8-177.6-64.262.6-141.500112.1P149 K182P149-E151 PolarHBondContact O-N 2.89Å; E151-K182 IonicContact OE1-NZ 3.88Å; E151-K182 PolarHBondContact OE1-NZ 3.45Å
152K92Very high93.1Very high56 Ų5653.2 Ų53.224%0.24325%0.252CS..  trans-77.2134.5-178-68.4-56.9-167.4-172.70113P149 E156 I157 N183 W212P149-K152 HydrophobicContact CB-CG 4.2Å; P149-K152 HydrophobicContact CG-CG 4.49Å; P149-K152 PolarHBondContact O-N 2.81Å; K152-E156 WeakPolarHBondContact CA-OE2 3.48Å; K152-E156 HydrophobicContact CD-CB 4.23Å; K152-E156 WeakPolarHBondContact CD-OE1 3.33Å; K152-E156 WeakPolarHBondContact CE-OE1 3.47Å; K152-E156 IonicContact NZ-OE1 3.98Å; K152-E156 PolarHBondContact NZ-OE1 2.68Å; K152-I157 HydrophobicContact CB-CD1 4.24Å; K152-I157 HydrophobicContact CB-CG1 4.03Å; K152-N183 PolarHBondContact O-ND2 2.88Å; K152-W212 HydrophobicContact CB-CH2 4.4Å; K152-W212 HydrophobicContact CD-CZ2 4.4Å; K152-W212 HydrophobicContact CG-CD2 4.28Å; K152-W212 HydrophobicContact CG-CE3 4.14Å; K152-W212 HydrophobicContact CG-CH2 4.12Å; K152-W212 HydrophobicContact CG-CZ2 4.26Å; K152-W212 HydrophobicContact CG-CZ3 4.04Å
153K92.1Very high93.1Very high134 Ų13457.9 Ų57.958%0.58327%0.274SS*.  trans-89.3165.8177.4-63.2-176.4179.71790112.4E155 E156 I157K153-E155 WeakPolarHBondContact CB-OE2 3.46Å; K153-E155 PolarHBondContact O-N 3.34Å; K153-E156 PolarHBondContact N-OE2 2.81Å; K153-E156 PolarHBondContact O-N 3.11Å; K153-I157 VanDerWaalsContact O-CD1 3.3Å; K153-I157 WeakPolarHBondContact O-CD1 3.36Å; K153-I157 VanDerWaalsContact O-CG1 3.29Å; K153-I157 WeakPolarHBondContact O-CG1 3.47Å; K153-I157 PolarHBondContact O-N 3.14Å; K153-I157 VanDerWaalsContact O-N 3.07Å
154K92.6Very high92.9Very high70 Ų7058.9 Ų58.930%0.30428%0.28SS..Hα-helixtrans-51.2-44.9178.2166.9173.6171.5139.20111.8I157 L158 D170 V171 V173K154-I157 PolarHBondContact O-N 3.38Å; K154-L158 VanDerWaalsContact O-CB 3.31Å; K154-L158 WeakPolarHBondContact O-CB 3.2Å; K154-L158 PolarHBondContact O-N 3.38Å; K154-D170 WeakPolarHBondContact CE-OD1 3.49Å; K154-D170 IonicContact NZ-OD1 3.01Å; K154-D170 PolarHBondContact NZ-OD1 3.28Å; K154-D170 IonicContact NZ-OD2 2.87Å; K154-D170 PolarHBondContact NZ-OD2 3.36Å; K154-V171 VanDerWaalsContact CD-O 3.24Å; K154-V171 WeakPolarHBondContact CD-O 3.33Å; K154-V171 WeakPolarHBondContact CE-O 3.31Å; K154-V171 WeakPolarHBondContact CG-O 3.27Å; K154-V171 PolarHBondContact NZ-O 2.88Å; K154-V173 HydrophobicContact CB-CB 4.5Å; K154-V173 HydrophobicContact CB-CG2 3.93Å
155E94.4Very high92.8Very high110 Ų11056.3 Ų56.351%0.51427%0.269SS..Hα-helixtrans-67.2-45.9-175.1-59.766.5-141.100110.6K153 I157 L158 D159K153-E155 WeakPolarHBondContact CB-OE2 3.46Å; K153-E155 PolarHBondContact O-N 3.34Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 2.83Å; E155-L158 WeakPolarHBondContact O-CB 3.49Å; E155-L158 PolarHBondContact O-N 2.82Å; E155-D159 PolarHBondContact O-N 2.82Å
156E94.1Very high92.8Very high73 Ų7364.1 Ų64.134%0.34131%0.305SS..Hα-helixtrans-62.7-39176.5-62.7178.388.700112.5K152 K153 E160K152-E156 WeakPolarHBondContact CA-OE2 3.48Å; K152-E156 HydrophobicContact CD-CB 4.23Å; K152-E156 WeakPolarHBondContact CD-OE1 3.33Å; K152-E156 WeakPolarHBondContact CE-OE1 3.47Å; K152-E156 IonicContact NZ-OE1 3.98Å; K152-E156 PolarHBondContact NZ-OE1 2.68Å; K153-E156 PolarHBondContact N-OE2 2.81Å; K153-E156 PolarHBondContact O-N 3.11Å; E156-E160 WeakPolarHBondContact O-CB 3.33Å; E156-E160 PolarHBondContact O-N 3.38Å; E156-E160 VanDerWaalsContact O-N 3.1Å
157I93.9Very high92.7Very high0 Ų065 Ų650%032%0.315CS..Hα-helixtrans-68.9-43.7176.9-60.1152.9000109.7I148 K152 K153 K154 E155 D159 E160 M161 V171 V173 A187 W212I148-I157 HydrophobicContact CD1-CD1 3.66Å; I148-I157 HydrophobicContact CD1-CG1 4.34Å; K152-I157 HydrophobicContact CB-CD1 4.24Å; K152-I157 HydrophobicContact CB-CG1 4.03Å; K153-I157 VanDerWaalsContact O-CD1 3.3Å; K153-I157 WeakPolarHBondContact O-CD1 3.36Å; K153-I157 VanDerWaalsContact O-CG1 3.29Å; K153-I157 WeakPolarHBondContact O-CG1 3.47Å; K153-I157 PolarHBondContact O-N 3.14Å; K153-I157 VanDerWaalsContact O-N 3.07Å; K154-I157 PolarHBondContact O-N 3.38Å; E155-I157 VanDerWaalsContact C-N 3.33Å; E155-I157 PolarHBondContact O-N 2.83Å; I157-D159 PolarHBondContact O-N 2.68Å; I157-E160 PolarHBondContact O-N 2.73Å; I157-M161 HydrophobicContact CG2-CG 4.2Å; I157-M161 WeakPolarHBondContact O-CB 3.5Å; I157-M161 WeakPolarHBondContact O-CG 3.47Å; I157-M161 PolarHBondContact O-N 2.73Å; I157-V171 HydrophobicContact CB-CG1 4.19Å; I157-V171 HydrophobicContact CG2-CG1 3.76Å; I157-V171 HydrophobicContact CG2-CG2 4.4Å; I157-V173 HydrophobicContact CD1-CG1 4.36Å; I157-V173 HydrophobicContact CD1-CG2 3.65Å; I157-A187 HydrophobicContact CD1-CB 4.39Å; I157-A187 HydrophobicContact CG2-CB 4.23Å; I157-W212 HydrophobicContact CB-CH2 4.22Å; I157-W212 HydrophobicContact CG1-CH2 3.67Å; I157-W212 HydrophobicContact CG1-CZ2 4.48Å; I157-W212 HydrophobicContact CG1-CZ3 4.46Å; I157-W212 HydrophobicContact CG2-CH2 4.47Å
158L95.2Very high93Very high27 Ų2763.6 Ų63.614%0.14130%0.301CS..Hα-helixtrans-58.5-47.6176.9-179.868.3000111.9K154 E155 M161 K162 V168 V171K154-L158 VanDerWaalsContact O-CB 3.31Å; K154-L158 WeakPolarHBondContact O-CB 3.2Å; K154-L158 PolarHBondContact O-N 3.38Å; E155-L158 WeakPolarHBondContact O-CB 3.49Å; E155-L158 PolarHBondContact O-N 2.82Å; L158-M161 PolarHBondContact O-N 2.71Å; L158-K162 HydrophobicContact CD1-CD 4.34Å; L158-K162 HydrophobicContact CG-CD 4.25Å; L158-K162 WeakPolarHBondContact O-CB 3.28Å; L158-K162 WeakPolarHBondContact O-CG 3.45Å; L158-K162 PolarHBondContact O-N 3.08Å; L158-V168 HydrophobicContact CD1-CG1 3.78Å; L158-V171 HydrophobicContact CB-CB 4.34Å; L158-V171 HydrophobicContact CB-CG2 3.98Å; L158-V171 HydrophobicContact CD1-CB 4.45Å; L158-V171 HydrophobicContact CD1-CG2 3.79Å
159D94.4Very high93Very high90 Ų9067.3 Ų67.348%0.48132%0.324SS..Hα-helixtrans-65.7-41.3-179.9-72.7-15.7000112E155 I157 K162 K163E155-D159 PolarHBondContact O-N 2.82Å; I157-D159 PolarHBondContact O-N 2.68Å; D159-K162 PolarHBondContact O-N 2.95Å; D159-K163 WeakPolarHBondContact O-CG 3.23Å; D159-K163 PolarHBondContact O-N 2.87Å; D159-K163 VanDerWaalsContact O-N 3.16Å
160E92.4Very high93.1Very high46 Ų4668.8 Ų68.822%0.21533%0.331CS..Hα-helixtrans-68.3-42.4177.8-157.166.4-161.900111.7E156 I157 K162 K163 V164 L211 W212E156-E160 WeakPolarHBondContact O-CB 3.33Å; E156-E160 PolarHBondContact O-N 3.38Å; E156-E160 VanDerWaalsContact O-N 3.1Å; I157-E160 PolarHBondContact O-N 2.73Å; E160-K162 VanDerWaalsContact C-N 3.31Å; E160-K162 PolarHBondContact O-N 3.13Å; E160-K163 PolarHBondContact O-N 2.87Å; E160-K163 IonicContact OE2-NZ 2.59Å; E160-K163 PolarHBondContact OE2-NZ 3.01Å; E160-V164 WeakPolarHBondContact O-CG2 3.18Å; E160-V164 PolarHBondContact O-N 2.87Å; E160-L211 HydrophobicContact CB-CD1 4.31Å; E160-L211 HydrophobicContact CG-CD1 3.54Å; E160-L211 HydrophobicContact CG-CG 4.17Å; E160-W212 HydrophobicContact CB-CH2 4.45Å; E160-W212 HydrophobicContact CB-CZ2 3.63Å; E160-W212 HydrophobicContact CG-CZ2 3.94Å
161M93.1Very high93.2Very high0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-61.8-38175-68.1-57.8-53.200111.9I145 I157 L158 V164 T165 V168 V189 Y191 L204 L211I145-M161 HydrophobicContact CD1-CE 4.39Å; I157-M161 HydrophobicContact CG2-CG 4.2Å; I157-M161 WeakPolarHBondContact O-CB 3.5Å; I157-M161 WeakPolarHBondContact O-CG 3.47Å; I157-M161 PolarHBondContact O-N 2.73Å; L158-M161 PolarHBondContact O-N 2.71Å; M161-V164 PolarHBondContact O-N 2.85Å; M161-T165 HydrophobicContact CE-CG2 4.35Å; M161-T165 PolarHBondContact O-N 3.22Å; M161-T165 PolarHBondContact O-OG1 2.96Å; M161-V168 HydrophobicContact CB-CG1 4.47Å; M161-V168 HydrophobicContact CB-CG2 4.27Å; M161-V189 HydrophobicContact CB-CG1 4.35Å; M161-V189 HydrophobicContact CE-CG1 4.23Å; M161-V189 HydrophobicContact CE-CG2 4.08Å; M161-V189 HydrophobicContact CG-CG1 4.34Å; M161-V189 HydrophobicContact CG-CG2 3.86Å; M161-V189 HydrophobicContact SD-CG2 4.25Å; M161-Y191 WeakPolarHBondContact CE-OH 3.22Å; M161-L204 HydrophobicContact CE-CD1 3.7Å; M161-L211 HydrophobicContact SD-CD2 4.39Å
162K94.4Very high93.2Very high103 Ų10359.4 Ų59.445%0.44829%0.289SS..Hα-helixtrans-67.7-29.8176.1-80.3176.5176.6177.30114.3L158 D159 E160 V164 V168L158-K162 HydrophobicContact CD1-CD 4.34Å; L158-K162 HydrophobicContact CG-CD 4.25Å; L158-K162 WeakPolarHBondContact O-CB 3.28Å; L158-K162 WeakPolarHBondContact O-CG 3.45Å; L158-K162 PolarHBondContact O-N 3.08Å; D159-K162 PolarHBondContact O-N 2.95Å; E160-K162 VanDerWaalsContact C-N 3.31Å; E160-K162 PolarHBondContact O-N 3.13Å; K162-V164 VanDerWaalsContact C-N 3.34Å; K162-V168 WeakPolarHBondContact CE-O 3.47Å; K162-V168 HydrophobicContact CG-CB 3.83Å; K162-V168 HydrophobicContact CG-CG1 4.18Å; K162-V168 HydrophobicContact CG-CG2 4.48Å
163K92.3Very high93.2Very high145 Ų14558.1 Ų58.163%0.6329%0.286SS*.Hα-helixtrans-69.7-34.7172.7-66.7165.5-155.4167.10112D159 E160D159-K163 WeakPolarHBondContact O-CG 3.23Å; D159-K163 PolarHBondContact O-N 2.87Å; D159-K163 VanDerWaalsContact O-N 3.16Å; E160-K163 PolarHBondContact O-N 2.87Å; E160-K163 IonicContact OE2-NZ 2.59Å; E160-K163 PolarHBondContact OE2-NZ 3.01Å
164V89.8Confident93Very high21 Ų2154.8 Ų54.813%0.12727%0.27CS..Hα-helixtrans-92.2-35.6-171.4178.90000111.8E160 M161 K162 K203 L204 F209E160-V164 WeakPolarHBondContact O-CG2 3.18Å; E160-V164 PolarHBondContact O-N 2.87Å; M161-V164 PolarHBondContact O-N 2.85Å; K162-V164 VanDerWaalsContact C-N 3.34Å; V164-K203 WeakPolarHBondContact O-CD 3.16Å; V164-K203 VanDerWaalsContact O-CE 3.23Å; V164-K203 WeakPolarHBondContact O-CE 3.35Å; V164-K203 PolarHBondContact O-NZ 2.88Å; V164-L204 HydrophobicContact CG1-CD2 3.68Å; V164-F209 HydrophobicContact CB-CZ 4.19Å; V164-F209 HydrophobicContact CG1-CE1 4.18Å; V164-F209 HydrophobicContact CG1-CE2 3.55Å; V164-F209 HydrophobicContact CG1-CZ 3.33Å; V164-F209 HydrophobicContact CG2-CE2 4.42Å; V164-F209 HydrophobicContact CG2-CZ 3.75Å
165T92.6Very high92.8Very high5 Ų553 Ų533%0.03127%0.266CS..SBendtrans-133.6144-170.160.90000112.1M161 V168 Y191 A200 L204M161-T165 HydrophobicContact CE-CG2 4.35Å; M161-T165 PolarHBondContact O-N 3.22Å; M161-T165 PolarHBondContact O-OG1 2.96Å; T165-V168 VanDerWaalsContact OG1-CG2 3.22Å; T165-V168 WeakPolarHBondContact OG1-CG2 3.21Å; T165-Y191 PolarHBondContact OG1-OH 3.38Å; T165-A200 HydrophobicContact CG2-CB 3.73Å; T165-L204 HydrophobicContact CG2-CD1 3.99Å; T165-L204 HydrophobicContact CG2-CD2 4.09Å; T165-L204 HydrophobicContact CG2-CG 4.06Å
166E92.8Very high92.4Very high164 Ų16449 Ų4977%0.76625%0.25SC*.SBendtrans-88.7154.5-179.1-69.2160.4-143.100111.3V168 Y191E166-V168 PolarHBondContact O-N 2.79Å; E166-Y191 WeakPolarHBondContact O-CD1 3.34Å
167G92Very high91.6Very high20 Ų2046 Ų4621%0.20624%0.238CC..SBendtrans72.818.4175.100000115.7V169 Y191 E192G167-V169 PolarHBondContact O-N 3.25Å; G167-Y191 CarbonylContact O-C 3.54Å; G167-Y191 WeakPolarHBondContact O-CA 3.38Å; G167-E192 WeakPolarHBondContact CA-OE1 3.5Å; G167-E192 PolarHBondContact O-N 2.97Å
168V95.4Very high90.9Very high14 Ų1451.5 Ų51.59%0.08527%0.272CS..EExtended strand (participates in β ladder)trans-72.8117.6175.8-179.30000110.7L158 M161 K162 T165 E166 V189 Y191L158-V168 HydrophobicContact CD1-CG1 3.78Å; M161-V168 HydrophobicContact CB-CG1 4.47Å; M161-V168 HydrophobicContact CB-CG2 4.27Å; K162-V168 WeakPolarHBondContact CE-O 3.47Å; K162-V168 HydrophobicContact CG-CB 3.83Å; K162-V168 HydrophobicContact CG-CG1 4.18Å; K162-V168 HydrophobicContact CG-CG2 4.48Å; T165-V168 VanDerWaalsContact OG1-CG2 3.22Å; T165-V168 WeakPolarHBondContact OG1-CG2 3.21Å; E166-V168 PolarHBondContact O-N 2.79Å; V168-V189 HydrophobicContact CG1-CG1 3.77Å; V168-V189 HydrophobicContact CG2-CG1 4.2Å; V168-Y191 HydrophobicContact CG2-CD1 4.03Å; V168-Y191 HydrophobicContact CG2-CE1 3.49Å; V168-Y191 VanDerWaalsContact CG2-CE1 3.49Å
169V92.9Very high90.4Very high86 Ų8652.8 Ų52.852%0.52128%0.279SS..EExtended strand (participates in β ladder)trans-92.3-53.9-179.9174.50000111.1G167 E190 E192G167-V169 PolarHBondContact O-N 3.25Å; V169-E190 PolarHBondContact N-O 3.45Å; V169-E192 HydrophobicContact CG2-CB 3.76Å
170D93.3Very high89.9Confident52 Ų5251.2 Ų51.228%0.27827%0.268SS..EExtended strand (participates in β ladder)trans-146.5163.4-177.4-165.430.1000112.9K154 E190K154-D170 WeakPolarHBondContact CE-OD1 3.49Å; K154-D170 IonicContact NZ-OD1 3.01Å; K154-D170 PolarHBondContact NZ-OD1 3.28Å; K154-D170 IonicContact NZ-OD2 2.87Å; K154-D170 PolarHBondContact NZ-OD2 3.36Å; D170-E190 HydrophobicContact CB-CB 4.49Å; D170-E190 PolarHBondContact N-O 3.24Å; D170-E190 PolarHBondContact O-N 2.94Å
171V94.9Very high89.5Confident0 Ų054.3 Ų54.30%029%0.29CS..EExtended strand (participates in β ladder)trans-126129.8169.1177.60000110.1K154 I157 L158 V173 A187 F188 V189K154-V171 VanDerWaalsContact CD-O 3.24Å; K154-V171 WeakPolarHBondContact CD-O 3.33Å; K154-V171 WeakPolarHBondContact CE-O 3.31Å; K154-V171 WeakPolarHBondContact CG-O 3.27Å; K154-V171 PolarHBondContact NZ-O 2.88Å; I157-V171 HydrophobicContact CB-CG1 4.19Å; I157-V171 HydrophobicContact CG2-CG1 3.76Å; I157-V171 HydrophobicContact CG2-CG2 4.4Å; L158-V171 HydrophobicContact CB-CB 4.34Å; L158-V171 HydrophobicContact CB-CG2 3.98Å; L158-V171 HydrophobicContact CD1-CB 4.45Å; L158-V171 HydrophobicContact CD1-CG2 3.79Å; V171-V173 HydrophobicContact CG1-CG2 3.75Å; V171-A187 HydrophobicContact CG1-CB 3.9Å; V171-F188 CarbonylContact C-O 3.58Å; V171-F188 WeakPolarHBondContact CA-O 3.34Å; V171-V189 HydrophobicContact CG2-CB 4.49Å; V171-V189 HydrophobicContact CG2-CG1 4.21Å; V171-V189 HydrophobicContact CG2-CG2 4.11Å
172I92.7Very high89.3Confident31 Ų3157.8 Ų57.816%0.15931%0.305CS..EExtended strand (participates in β ladder)trans-105.3116.9175.7-52.4171000108.2Y174 F188I172-Y174 HydrophobicContact CG2-CE2 3.83Å; I172-F188 HydrophobicContact CB-CB 4.28Å; I172-F188 PolarHBondContact N-O 2.78Å; I172-F188 PolarHBondContact O-N 3.35Å
173V92.1Very high89.2Confident29 Ų2953.2 Ų53.218%0.17629%0.285CS..EExtended strand (participates in β ladder)trans-119131.6178.6-170.70000108.8K154 I157 V171 N183 A187K154-V173 HydrophobicContact CB-CB 4.5Å; K154-V173 HydrophobicContact CB-CG2 3.93Å; I157-V173 HydrophobicContact CD1-CG1 4.36Å; I157-V173 HydrophobicContact CD1-CG2 3.65Å; V171-V173 HydrophobicContact CG1-CG2 3.75Å; V173-N183 HydrophobicContact CG1-CB 3.38Å; V173-A187 HydrophobicContact CG2-CB 4.04Å
174Y88.2Confident89.1Confident64 Ų6450 Ų5025%0.25127%0.269SS..EExtended strand (participates in β ladder)trans-97.4123.3176-68.9-79.2000110.3I172 R184 F186 F188 R241I172-Y174 HydrophobicContact CG2-CE2 3.83Å; Y174-R184 WeakPolarHBondContact O-CG 3.29Å; Y174-R184 PolarHBondContact O-N 2.61Å; Y174-F186 AromaticContact CD2-CE2 4Å; Y174-F186 HydrophobicContact CD2-CE2 4Å; Y174-F188 HydrophobicContact CD2-CD2 4.38Å; Y174-F188 HydrophobicContact CD2-CE2 4.22Å; Y174-F188 AromaticContact CE2-CD2 3.85Å; Y174-F188 HydrophobicContact CE2-CD2 3.85Å; Y174-F188 AromaticContact CE2-CE2 3.74Å; Y174-F188 HydrophobicContact CE2-CE2 3.74Å; Y174-R241 PolarHBondContact OH-NH1 2.86Å
175P87.1Confident89.2Confident33 Ų3349.6 Ų49.621%0.21427%0.269CS..EExtended strand (participates in β ladder)trans-59.3148.2171.1-23.934.1000111.4K180 K182 R184P175-K180 HydrophobicContact CB-CD 4.3Å; P175-K182 CarbonylContact C-O 3.59Å; P175-K182 WeakPolarHBondContact CA-O 3.32Å; P175-R184 PolarHBondContact O-NE 3.29Å; P175-R184 PolarHBondContact O-NH2 3.37Å
176S86.1Confident89.3Confident25 Ų2551.8 Ų51.818%0.17528%0.279CS..PPolyproline II helixtrans-62.7143.7172.8-178.50000110.2T178 D179 K182S176-T178 PolarHBondContact O-N 3.06Å; S176-T178 PolarHBondContact OG-N 3.37Å; S176-T178 PolarHBondContact OG-OG1 3.22Å; S176-D179 WeakPolarHBondContact CB-O 3.43Å; S176-K182 PolarHBondContact N-O 2.68Å
177A77.7Confident89.4Confident11 Ų1144 Ų449%0.09124%0.242CC..SBendtrans-72.4-18.2176.100000112.5I245 D272A177-I245 HydrophobicContact CB-CD1 3.85Å; A177-I245 HydrophobicContact CB-CG1 3.92Å; A177-D272 HydrophobicContact CB-CB 3.94Å
178T80.5Confident89.5Confident115 Ų11545.2 Ų45.271%0.70624%0.242SC*.SBendtrans-98.4-29.5178.655.60000113.7S176 I245S176-T178 PolarHBondContact O-N 3.06Å; S176-T178 PolarHBondContact OG-N 3.37Å; S176-T178 PolarHBondContact OG-OG1 3.22Å; T178-I245 HydrophobicContact CG2-CD1 4.16Å
179D83.8Confident89.5Confident54 Ų5444.6 Ų44.629%0.28924%0.238SC..  trans-143.9102.6-175.4180-7000109.2S176 T181 K182S176-D179 WeakPolarHBondContact CB-O 3.43Å; D179-T181 PolarHBondContact O-N 3.21Å; D179-T181 VanDerWaalsContact O-N 3.15Å; D179-T181 WeakPolarHBondContact OD1-CB 3.35Å; D179-T181 PolarHBondContact OD1-N 3.38Å; D179-T181 PolarHBondContact OD1-OG1 3.39Å; D179-T181 PolarHBondContact OD2-OG1 3.49Å; D179-K182 HydrophobicContact CB-CB 4.48Å; D179-K182 PolarHBondContact O-N 2.94Å; D179-K182 VanDerWaalsContact O-N 3.1Å; D179-K182 VanDerWaalsContact OD2-CD 3.27Å; D179-K182 WeakPolarHBondContact OD2-CD 3.23Å; D179-K182 WeakPolarHBondContact OD2-CE 3.08Å; D179-K182 WeakPolarHBondContact OD2-CG 3.13Å
180K83.3Confident89.5Confident58 Ų5841.8 Ų41.825%0.25222%0.219SC..THydrogen-bonded Turntrans-68.2-11-176.5-61-69.2175.4171.10113.3P175 K182 N242 L243 M244 A299P175-K180 HydrophobicContact CB-CD 4.3Å; K180-K182 VanDerWaalsContact C-N 3.31Å; K180-N242 PolarHBondContact NZ-O 2.92Å; K180-N242 PolarHBondContact NZ-OD1 2.61Å; K180-L243 PolarHBondContact NZ-O 2.8Å; K180-M244 HydrophobicContact CD-SD 4.27Å; K180-M244 WeakPolarHBondContact CE-SD 3.36Å; K180-M244 HydrophobicContact CG-SD 3.96Å; K180-A299 HydrophobicContact CD-CB 4.43Å
181T85.5Confident89.5Confident110 Ų11039.3 Ų39.368%0.67521%0.206SC*.THydrogen-bonded Turntrans-80.5-14.4174.473.60000113D179D179-T181 PolarHBondContact O-N 3.21Å; D179-T181 VanDerWaalsContact O-N 3.15Å; D179-T181 WeakPolarHBondContact OD1-CB 3.35Å; D179-T181 PolarHBondContact OD1-N 3.38Å; D179-T181 PolarHBondContact OD1-OG1 3.39Å; D179-T181 PolarHBondContact OD2-OG1 3.49Å
182K88.6Confident89.2Confident73 Ų7345.2 Ų45.232%0.31723%0.233SC..SBendtrans-114.2151.3-175.6-64.6-172.4-174.5-139.40112.6K150 E151 P175 S176 D179 K180K150-K182 HydrophobicContact CB-CB 4.32Å; K150-K182 HydrophobicContact CB-CD 4.4Å; K150-K182 CarbonylContact O-C 3.55Å; K150-K182 VanDerWaalsContact O-CA 3.23Å; K150-K182 WeakPolarHBondContact O-CA 3.18Å; K150-K182 WeakPolarHBondContact O-CB 3.48Å; E151-K182 IonicContact OE1-NZ 3.88Å; E151-K182 PolarHBondContact OE1-NZ 3.45Å; P175-K182 CarbonylContact C-O 3.59Å; P175-K182 WeakPolarHBondContact CA-O 3.32Å; S176-K182 PolarHBondContact N-O 2.68Å; D179-K182 HydrophobicContact CB-CB 4.48Å; D179-K182 PolarHBondContact O-N 2.94Å; D179-K182 VanDerWaalsContact O-N 3.1Å; D179-K182 VanDerWaalsContact OD2-CD 3.27Å; D179-K182 WeakPolarHBondContact OD2-CD 3.23Å; D179-K182 WeakPolarHBondContact OD2-CE 3.08Å; D179-K182 WeakPolarHBondContact OD2-CG 3.13Å; K180-K182 VanDerWaalsContact C-N 3.31Å
183N91.8Very high88.8Confident7 Ų745.8 Ų45.84%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-83.8173.6168.175.160.5000112P149 K150 K152 V173 G185P149-N183 PolarHBondContact O-ND2 2.76Å; K150-N183 PolarHBondContact O-N 3.01Å; K150-N183 PolarHBondContact O-ND2 3.01Å; K152-N183 PolarHBondContact O-ND2 2.88Å; V173-N183 HydrophobicContact CG1-CB 3.38Å; N183-G185 VanDerWaalsContact C-N 3.32Å; N183-G185 PolarHBondContact O-N 3.34Å; N183-G185 WeakPolarHBondContact OD1-CA 3.26Å; N183-G185 PolarHBondContact OD1-N 3.49Å
184R90.6Very high88.4Confident77 Ų7747.9 Ų47.929%0.29125%0.248SC..EExtended strand (participates in β ladder)trans-82.34.5-177.9-71.4179.8-165.9-160.1-1.5115.8Y174 P175 F186 D272Y174-R184 WeakPolarHBondContact O-CG 3.29Å; Y174-R184 PolarHBondContact O-N 2.61Å; P175-R184 PolarHBondContact O-NE 3.29Å; P175-R184 PolarHBondContact O-NH2 3.37Å; R184-F186 VanDerWaalsContact C-N 3.35Å; R184-F186 HydrophobicContact CB-CD1 3.74Å; R184-F186 HydrophobicContact CB-CE1 3.38Å; R184-F186 HydrophobicContact CB-CZ 4.01Å; R184-F186 HydrophobicContact CG-CE1 4.31Å; R184-D272 IonicContact CZ-OD2 3.46Å; R184-D272 VanDerWaalsContact CZ-OD2 3.29Å; R184-D272 IonicContact NH1-OD1 2.71Å; R184-D272 IonicContact NH1-OD2 3.5Å; R184-D272 PolarHBondContact NH1-OD2 3.42Å; R184-D272 IonicContact NH2-OD2 2.66Å; R184-D272 PolarHBondContact NH2-OD2 3.44Å
185G91.3Very high88.2Confident13 Ų1350.9 Ų50.913%0.13426%0.259CS..EExtended strand (participates in β ladder)trans82.512.6-171.500000113.7A147 I148 N183A147-G185 PolarHBondContact N-O 2.96Å; I148-G185 VanDerWaalsContact CG1-C 3.44Å; I148-G185 PolarHBondContact N-O 3.41Å; I148-G185 WeakPolarHBondContact O-CA 3.45Å; N183-G185 VanDerWaalsContact C-N 3.32Å; N183-G185 PolarHBondContact O-N 3.34Å; N183-G185 WeakPolarHBondContact OD1-CA 3.26Å; N183-G185 PolarHBondContact OD1-N 3.49Å
186F93.9Very high88.3Confident52 Ų5250 Ų5023%0.22825%0.254CS..EExtended strand (participates in β ladder)trans-149.8158.5173.467.6-94.2000111.8F144 I145 Y174 R184 F188F144-F186 HydrophobicContact CD2-CB 4.4Å; F144-F186 HydrophobicContact CD2-CD2 4.23Å; F144-F186 HydrophobicContact CE2-CB 3.49Å; F144-F186 VanDerWaalsContact CE2-CB 3.49Å; F144-F186 HydrophobicContact CE2-CD1 4.34Å; F144-F186 AromaticContact CE2-CD2 3.63Å; F144-F186 HydrophobicContact CE2-CD2 3.63Å; F144-F186 HydrophobicContact CE2-CE2 4.44Å; F144-F186 AromaticContact CE2-CG 3.58Å; F144-F186 HydrophobicContact CE2-CG 3.58Å; F144-F186 HydrophobicContact CZ-CB 3.63Å; F144-F186 HydrophobicContact CZ-CG 4.09Å; I145-F186 CarbonylContact O-C 3.6Å; I145-F186 WeakPolarHBondContact O-CA 3.42Å; I145-F186 WeakPolarHBondContact O-CB 3.36Å; Y174-F186 AromaticContact CD2-CE2 4Å; Y174-F186 HydrophobicContact CD2-CE2 4Å; R184-F186 VanDerWaalsContact C-N 3.35Å; R184-F186 HydrophobicContact CB-CD1 3.74Å; R184-F186 HydrophobicContact CB-CE1 3.38Å; R184-F186 HydrophobicContact CB-CZ 4.01Å; R184-F186 HydrophobicContact CG-CE1 4.31Å; F186-F188 HydrophobicContact CD2-CE2 4.16Å; F186-F188 HydrophobicContact CE2-CD2 4.49Å; F186-F188 AromaticContact CE2-CE2 3.78Å; F186-F188 HydrophobicContact CE2-CE2 3.78Å; F186-F188 HydrophobicContact CE2-CZ 4.35Å
187A95.1Very high88.6Confident0 Ų048.8 Ų48.80%025%0.246CC..EExtended strand (participates in β ladder)trans-138.2160.6170.900000110.3I145 I148 I157 V171 V173I145-A187 PolarHBondContact N-O 3.14Å; I145-A187 PolarHBondContact O-N 2.96Å; I148-A187 HydrophobicContact CD1-CB 3.88Å; I157-A187 HydrophobicContact CD1-CB 4.39Å; I157-A187 HydrophobicContact CG2-CB 4.23Å; V171-A187 HydrophobicContact CG1-CB 3.9Å; V173-A187 HydrophobicContact CG2-CB 4.04Å
188F95.5Very high89.2Confident46 Ų4649.9 Ų49.920%0.20226%0.255CS..EExtended strand (participates in β ladder)trans-106.3131.2166.1-62.9-84.4000109.5R142 L143 F144 V171 I172 Y174 F186 A221R142-F188 HydrophobicContact CG-CB 3.98Å; R142-F188 HydrophobicContact CG-CD1 4.37Å; L143-F188 CarbonylContact O-C 3.56Å; L143-F188 VanDerWaalsContact O-CA 3.27Å; L143-F188 WeakPolarHBondContact O-CA 3.4Å; F144-F188 HydrophobicContact CB-CD1 4.24Å; F144-F188 HydrophobicContact CB-CE1 4.1Å; F144-F188 HydrophobicContact CD2-CD1 4.35Å; F144-F188 AromaticContact CD2-CE1 3.79Å; F144-F188 HydrophobicContact CD2-CE1 3.79Å; F144-F188 HydrophobicContact CD2-CZ 4.05Å; F144-F188 HydrophobicContact CG-CE1 4.45Å; V171-F188 CarbonylContact C-O 3.58Å; V171-F188 WeakPolarHBondContact CA-O 3.34Å; I172-F188 HydrophobicContact CB-CB 4.28Å; I172-F188 PolarHBondContact N-O 2.78Å; I172-F188 PolarHBondContact O-N 3.35Å; Y174-F188 HydrophobicContact CD2-CD2 4.38Å; Y174-F188 HydrophobicContact CD2-CE2 4.22Å; Y174-F188 AromaticContact CE2-CD2 3.85Å; Y174-F188 HydrophobicContact CE2-CD2 3.85Å; Y174-F188 AromaticContact CE2-CE2 3.74Å; Y174-F188 HydrophobicContact CE2-CE2 3.74Å; F186-F188 HydrophobicContact CD2-CE2 4.16Å; F186-F188 HydrophobicContact CE2-CD2 4.49Å; F186-F188 AromaticContact CE2-CE2 3.78Å; F186-F188 HydrophobicContact CE2-CE2 3.78Å; F186-F188 HydrophobicContact CE2-CZ 4.35Å; F188-A221 HydrophobicContact CD1-CB 3.66Å; F188-A221 HydrophobicContact CE1-CB 3.84Å
189V95.3Very high89.6Confident0 Ų049.8 Ų49.80%025%0.248CC..EExtended strand (participates in β ladder)trans-109.6122.8178.8-174.10000108.3R142 L143 I145 M161 V168 V171 Y191R142-V189 CarbonylContact C-O 3.55Å; R142-V189 WeakPolarHBondContact CA-O 3.43Å; L143-V189 PolarHBondContact N-O 2.96Å; L143-V189 PolarHBondContact O-N 3.41Å; I145-V189 HydrophobicContact CG1-CB 4.4Å; I145-V189 HydrophobicContact CG1-CG2 3.52Å; M161-V189 HydrophobicContact CB-CG1 4.35Å; M161-V189 HydrophobicContact CE-CG1 4.23Å; M161-V189 HydrophobicContact CE-CG2 4.08Å; M161-V189 HydrophobicContact CG-CG1 4.34Å; M161-V189 HydrophobicContact CG-CG2 3.86Å; M161-V189 HydrophobicContact SD-CG2 4.25Å; V168-V189 HydrophobicContact CG1-CG1 3.77Å; V168-V189 HydrophobicContact CG2-CG1 4.2Å; V171-V189 HydrophobicContact CG2-CB 4.49Å; V171-V189 HydrophobicContact CG2-CG1 4.21Å; V171-V189 HydrophobicContact CG2-CG2 4.11Å; V189-Y191 HydrophobicContact CB-CE2 3.94Å; V189-Y191 HydrophobicContact CG1-CD2 4.36Å; V189-Y191 HydrophobicContact CG1-CE2 3.59Å
190E93Very high90.1Very high27 Ų2747.4 Ų47.413%0.12624%0.236CC..EExtended strand (participates in β ladder)trans-104.2127.2-176.8-179.2135.6-165.900110.4R59 R142 V169 D170R59-E190 IonicContact CZ-OE1 2.61Å; R59-E190 IonicContact NH1-OE1 3Å; R59-E190 PolarHBondContact NH1-OE1 3.06Å; R59-E190 IonicContact NH2-OE1 3.75Å; R59-E190 PolarHBondContact NH2-OE1 3.12Å; R142-E190 IonicContact CZ-OE2 3.81Å; R142-E190 VanDerWaalsContact CZ-OE2 3.31Å; R142-E190 IonicContact NE-OE2 2.62Å; R142-E190 PolarHBondContact NE-OE2 3.32Å; R142-E190 VanDerWaalsContact NE-OE2 3.08Å; R142-E190 IonicContact NH2-OE1 3.63Å; R142-E190 IonicContact NH2-OE2 3.51Å; R142-E190 PolarHBondContact NH2-OE2 3.44Å; V169-E190 PolarHBondContact N-O 3.45Å; D170-E190 HydrophobicContact CB-CB 4.49Å; D170-E190 PolarHBondContact N-O 3.24Å; D170-E190 PolarHBondContact O-N 2.94Å
191Y92.8Very high90.5Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-107.2157.8-178.8-63-97.8000111.3R59 C141 L143 M161 T165 E166 G167 V168 V189 S193 A196 A197 A200R59-Y191 PolarHBondContact NH2-O 2.99Å; C141-Y191 WeakPolarHBondContact CB-O 3.27Å; C141-Y191 PolarHBondContact O-N 3.3Å; L143-Y191 HydrophobicContact CB-CE2 4.22Å; L143-Y191 HydrophobicContact CD1-CE2 3.67Å; L143-Y191 HydrophobicContact CG-CD2 4.34Å; L143-Y191 HydrophobicContact CG-CE2 3.74Å; M161-Y191 WeakPolarHBondContact CE-OH 3.22Å; T165-Y191 PolarHBondContact OG1-OH 3.38Å; E166-Y191 WeakPolarHBondContact O-CD1 3.34Å; G167-Y191 CarbonylContact O-C 3.54Å; G167-Y191 WeakPolarHBondContact O-CA 3.38Å; V168-Y191 HydrophobicContact CG2-CD1 4.03Å; V168-Y191 HydrophobicContact CG2-CE1 3.49Å; V168-Y191 VanDerWaalsContact CG2-CE1 3.49Å; V189-Y191 HydrophobicContact CB-CE2 3.94Å; V189-Y191 HydrophobicContact CG1-CD2 4.36Å; V189-Y191 HydrophobicContact CG1-CE2 3.59Å; Y191-S193 VanDerWaalsContact C-N 3.27Å; Y191-S193 PolarHBondContact O-N 3.06Å; Y191-A196 HydrophobicContact CD1-CB 4.12Å; Y191-A196 HydrophobicContact CG-CB 4.47Å; Y191-A197 HydrophobicContact CD2-CB 3.72Å; Y191-A197 HydrophobicContact CE2-CB 4.48Å; Y191-A197 HydrophobicContact CG-CB 3.92Å; Y191-A200 HydrophobicContact CD1-CB 4.27Å; Y191-A200 HydrophobicContact CE1-CB 3.39Å; Y191-A200 HydrophobicContact CE2-CB 4.23Å; Y191-A200 VanDerWaalsContact OH-CB 3.31Å; Y191-A200 WeakPolarHBondContact OH-CB 3.05Å
192E87.8Confident90.7Very high124 Ų12452.3 Ų52.358%0.57924%0.24SC*.SBendtrans-62.8-34.3178.266.6-168.2172.800112.5G167 V169 A196G167-E192 WeakPolarHBondContact CA-OE1 3.5Å; G167-E192 PolarHBondContact O-N 2.97Å; V169-E192 HydrophobicContact CG2-CB 3.76Å; E192-A196 HydrophobicContact CG-CB 4.23Å
193S84.4Confident90.7Very high44 Ų4454.4 Ų54.431%0.30825%0.249SC..SBendtrans-143.9158.5-175.369.10000112.7Y191 R195 A196 A197Y191-S193 VanDerWaalsContact C-N 3.27Å; Y191-S193 PolarHBondContact O-N 3.06Å; S193-R195 PolarHBondContact O-N 2.9Å; S193-A196 PolarHBondContact O-N 3.48Å; S193-A196 WeakPolarHBondContact OG-CB 3.46Å; S193-A196 PolarHBondContact OG-N 3.05Å; S193-A196 VanDerWaalsContact OG-N 3.13Å; S193-A197 PolarHBondContact O-N 3.05Å
194H84.8Confident90.5Very high73 Ų7354.2 Ų54.234%0.33825%0.249SC..Hα-helixtrans-62-32.5173.9-17964.5000111.7N140 C141 A197 A198 W220N140-H194 PolarHBondContact O-ND1 2.89Å; C141-H194 PolarHBondContact SG-N 3.37Å; H194-A197 PolarHBondContact O-N 2.87Å; H194-A198 VanDerWaalsContact O-CB 3.23Å; H194-A198 WeakPolarHBondContact O-CB 3.5Å; H194-A198 PolarHBondContact O-N 3.25Å; H194-W220 AromaticContact CE1-CH2 3.53Å; H194-W220 AromaticContact CE1-CZ2 3.86Å; H194-W220 AromaticContact ND1-CH2 3.78Å
195R83.4Confident90.2Very high127 Ų12754.5 Ų54.548%0.47926%0.255SS..Hα-helixtrans-62.4-47.4174.1-174.2175.7-178.4136.47.7111E39 S193 A198 M199E39-R195 IonicContact OE2-CZ 2.83Å; E39-R195 VanDerWaalsContact OE2-CZ 3.3Å; E39-R195 IonicContact OE2-NH1 2.63Å; E39-R195 PolarHBondContact OE2-NH1 3.21Å; E39-R195 IonicContact OE2-NH2 2.77Å; E39-R195 PolarHBondContact OE2-NH2 3.34Å; S193-R195 PolarHBondContact O-N 2.9Å; R195-A198 PolarHBondContact O-N 3.14Å; R195-M199 WeakPolarHBondContact O-CB 3.37Å; R195-M199 VanDerWaalsContact O-CG 3.29Å; R195-M199 WeakPolarHBondContact O-CG 3.44Å; R195-M199 PolarHBondContact O-N 2.87Å
196A90.2Very high89.5Confident13 Ų1357 Ų5711%0.10727%0.268CS..Hα-helixtrans-60.7-48.6177.100000111.3Y191 E192 S193 A198 M199 A200Y191-A196 HydrophobicContact CD1-CB 4.12Å; Y191-A196 HydrophobicContact CG-CB 4.47Å; E192-A196 HydrophobicContact CG-CB 4.23Å; S193-A196 PolarHBondContact O-N 3.48Å; S193-A196 WeakPolarHBondContact OG-CB 3.46Å; S193-A196 PolarHBondContact OG-N 3.05Å; S193-A196 VanDerWaalsContact OG-N 3.13Å; A196-A198 PolarHBondContact O-N 2.93Å; A196-M199 PolarHBondContact O-N 2.83Å; A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 2.77Å
197A92.1Very high87.8Confident0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-60.7-41176.800000113Y191 S193 H194 A200 R201 W220Y191-A197 HydrophobicContact CD2-CB 3.72Å; Y191-A197 HydrophobicContact CE2-CB 4.48Å; Y191-A197 HydrophobicContact CG-CB 3.92Å; S193-A197 PolarHBondContact O-N 3.05Å; H194-A197 PolarHBondContact O-N 2.87Å; A197-A200 PolarHBondContact O-N 2.96Å; A197-R201 WeakPolarHBondContact O-CB 3.34Å; A197-R201 PolarHBondContact O-N 3.11Å; A197-W220 HydrophobicContact CB-CH2 4Å; A197-W220 HydrophobicContact CB-CZ3 3.67Å
198A89.6Confident86.3Confident35 Ų3564 Ų6429%0.28933%0.33SS..Hα-helixtrans-67.9-39.7178.800000112.4H194 R195 A196 R202 W220H194-A198 VanDerWaalsContact O-CB 3.23Å; H194-A198 WeakPolarHBondContact O-CB 3.5Å; H194-A198 PolarHBondContact O-N 3.25Å; R195-A198 PolarHBondContact O-N 3.14Å; A196-A198 PolarHBondContact O-N 2.93Å; A198-R202 WeakPolarHBondContact O-CB 3.47Å; A198-R202 PolarHBondContact O-N 3.32Å; A198-W220 HydrophobicContact CB-CH2 3.95Å; A198-W220 HydrophobicContact CB-CZ2 4.14Å
199M89.5Confident85.4Confident113 Ų11364.1 Ų64.156%0.55733%0.331SS*.Hα-helixtrans-67.1-43.7174.9-71.7-60.9-66.200111.5R195 A196 R202 K203R195-M199 WeakPolarHBondContact O-CB 3.37Å; R195-M199 VanDerWaalsContact O-CG 3.29Å; R195-M199 WeakPolarHBondContact O-CG 3.44Å; R195-M199 PolarHBondContact O-N 2.87Å; A196-M199 PolarHBondContact O-N 2.83Å; M199-R202 PolarHBondContact O-N 3.01Å; M199-K203 WeakPolarHBondContact O-CB 3.49Å; M199-K203 PolarHBondContact O-N 2.89Å
200A93.3Very high84.7Confident4 Ų469.3 Ų69.33%0.03336%0.355CS..Hα-helixtrans-58.1-50.9173.400000111.6L143 T165 Y191 A196 A197 R202 K203 L204L143-A200 HydrophobicContact CD1-CB 4.02Å; T165-A200 HydrophobicContact CG2-CB 3.73Å; Y191-A200 HydrophobicContact CD1-CB 4.27Å; Y191-A200 HydrophobicContact CE1-CB 3.39Å; Y191-A200 HydrophobicContact CE2-CB 4.23Å; Y191-A200 VanDerWaalsContact OH-CB 3.31Å; Y191-A200 WeakPolarHBondContact OH-CB 3.05Å; A196-A200 WeakPolarHBondContact O-CB 3.48Å; A196-A200 PolarHBondContact O-N 2.77Å; A197-A200 PolarHBondContact O-N 2.96Å; A200-R202 VanDerWaalsContact C-N 3.28Å; A200-R202 PolarHBondContact O-N 3.39Å; A200-K203 PolarHBondContact O-N 2.83Å; A200-L204 HydrophobicContact CB-CD1 4.46Å; A200-L204 WeakPolarHBondContact O-CB 3.45Å; A200-L204 WeakPolarHBondContact O-CD1 3.41Å; A200-L204 WeakPolarHBondContact O-CG 3.45Å; A200-L204 PolarHBondContact O-N 3.37Å
201R92Very high84.1Confident71 Ų7168.1 Ų68.127%0.26835%0.35SS..Hα-helixtrans-55.4-42.9175.7-174.7171.1-175-93.37.6111.7L143 A197 K203 L204 I205 V218 D219 W220L143-R201 HydrophobicContact CD1-CB 3.92Å; L143-R201 HydrophobicContact CD2-CB 3.91Å; L143-R201 HydrophobicContact CD2-CG 4.32Å; A197-R201 WeakPolarHBondContact O-CB 3.34Å; A197-R201 PolarHBondContact O-N 3.11Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 3.05Å; R201-L204 PolarHBondContact O-N 3.48Å; R201-I205 HydrophobicContact CG-CD1 3.45Å; R201-I205 VanDerWaalsContact CG-CD1 3.45Å; R201-I205 HydrophobicContact CG-CG1 4.1Å; R201-I205 WeakPolarHBondContact O-CB 3.25Å; R201-I205 VanDerWaalsContact O-CG1 3.27Å; R201-I205 WeakPolarHBondContact O-CG1 3.34Å; R201-I205 PolarHBondContact O-N 2.88Å; R201-V218 HydrophobicContact CG-CG1 4.2Å; R201-D219 IonicContact CZ-OD1 2.78Å; R201-D219 IonicContact NE-OD1 2.93Å; R201-D219 PolarHBondContact NE-OD1 3.31Å; R201-D219 IonicContact NH2-OD1 3.72Å; R201-D219 PolarHBondContact NH2-OD1 3.31Å; R201-W220 VanDerWaalsContact CD-CE2 3.44Å; R201-W220 VanDerWaalsContact CZ-CD1 3.5Å
202R89.3Confident83.8Confident200 Ų20071.3 Ų71.376%0.75536%0.362SS*.Hα-helixtrans-65.5-32176.8-163.1-178.7-156.9123.24.5113.5A198 M199 A200 P206A198-R202 WeakPolarHBondContact O-CB 3.47Å; A198-R202 PolarHBondContact O-N 3.32Å; M199-R202 PolarHBondContact O-N 3.01Å; A200-R202 VanDerWaalsContact C-N 3.28Å; A200-R202 PolarHBondContact O-N 3.39Å; R202-P206 WeakPolarHBondContact O-CD 3.36Å; R202-P206 WeakPolarHBondContact O-CG 3.38Å
203K89.4Confident83.4Confident116 Ų11668 Ų6850%0.50436%0.362SS..Hα-helixtrans-78.3-31.6178-168.2174.1-175.8-1800112.9V164 M199 A200 R201V164-K203 WeakPolarHBondContact O-CD 3.16Å; V164-K203 VanDerWaalsContact O-CE 3.23Å; V164-K203 WeakPolarHBondContact O-CE 3.35Å; V164-K203 PolarHBondContact O-NZ 2.88Å; M199-K203 WeakPolarHBondContact O-CB 3.49Å; M199-K203 PolarHBondContact O-N 2.89Å; A200-K203 PolarHBondContact O-N 2.83Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 3.05Å
204L88.3Confident83.3Confident4 Ų470.6 Ų70.62%0.02137%0.369CS..Hα-helixtrans-95.5-24.3-173.8-59.1163.5000114.7L143 I145 M161 V164 T165 A200 R201 F209 I216 V218L143-L204 HydrophobicContact CD1-CD1 4.46Å; I145-L204 HydrophobicContact CD1-CD1 4.18Å; M161-L204 HydrophobicContact CE-CD1 3.7Å; V164-L204 HydrophobicContact CG1-CD2 3.68Å; T165-L204 HydrophobicContact CG2-CD1 3.99Å; T165-L204 HydrophobicContact CG2-CD2 4.09Å; T165-L204 HydrophobicContact CG2-CG 4.06Å; A200-L204 HydrophobicContact CB-CD1 4.46Å; A200-L204 WeakPolarHBondContact O-CB 3.45Å; A200-L204 WeakPolarHBondContact O-CD1 3.41Å; A200-L204 WeakPolarHBondContact O-CG 3.45Å; A200-L204 PolarHBondContact O-N 3.37Å; R201-L204 PolarHBondContact O-N 3.48Å; L204-F209 HydrophobicContact CD2-CD1 3.73Å; L204-F209 HydrophobicContact CD2-CE1 3.57Å; L204-F209 HydrophobicContact CD2-CE2 4.48Å; L204-F209 HydrophobicContact CD2-CG 4.28Å; L204-F209 HydrophobicContact CD2-CZ 4.01Å; L204-I216 HydrophobicContact CB-CD1 4.48Å; L204-I216 HydrophobicContact CD2-CD1 4.19Å; L204-V218 HydrophobicContact CB-CB 4.34Å; L204-V218 HydrophobicContact CB-CG1 4.31Å; L204-V218 HydrophobicContact CB-CG2 3.71Å; L204-V218 HydrophobicContact CD1-CG1 4.36Å; L204-V218 HydrophobicContact CD1-CG2 4.3Å
205I84.3Confident83.3Confident83 Ų8371.1 Ų71.143%0.42638%0.377SS..  trans-68.1-35.4178.6-79179.3000115.2R201 G207 V218R201-I205 HydrophobicContact CG-CD1 3.45Å; R201-I205 VanDerWaalsContact CG-CD1 3.45Å; R201-I205 HydrophobicContact CG-CG1 4.1Å; R201-I205 WeakPolarHBondContact O-CB 3.25Å; R201-I205 VanDerWaalsContact O-CG1 3.27Å; R201-I205 WeakPolarHBondContact O-CG1 3.34Å; R201-I205 PolarHBondContact O-N 2.88Å; I205-G207 PolarHBondContact O-N 3.44Å; I205-G207 VanDerWaalsContact O-N 3.13Å; I205-V218 HydrophobicContact CG1-CB 4.18Å; I205-V218 HydrophobicContact CG1-CG1 4.47Å
206P75.9Confident83.6Confident64 Ų6465.7 Ų65.742%0.41636%0.357SS..SBendtrans-54.3122.7179.5-27.435.9000110.7R202 T208 F209R202-P206 WeakPolarHBondContact O-CD 3.36Å; R202-P206 WeakPolarHBondContact O-CG 3.38Å; P206-T208 PolarHBondContact O-N 3.01Å; P206-F209 PolarHBondContact O-N 2.96Å
207G57.9Low83.6Confident73 Ų7371.2 Ų71.275%0.75338%0.381SS*.THydrogen-bonded Turntrans-65.611.4-164.900000117I205I205-G207 PolarHBondContact O-N 3.44Å; I205-G207 VanDerWaalsContact O-N 3.13Å
208T63.1Low83.6Confident127 Ų12772.2 Ų72.278%0.77939%0.387SS*.THydrogen-bonded Turntrans-95.3-12.7169.252.40000112.9P206 Q210P206-T208 PolarHBondContact O-N 3.01Å; T208-Q210 PolarHBondContact O-N 3.28Å
209F76.5Confident83.8Confident49 Ų4974.4 Ų74.422%0.21539%0.394CS..  trans-75.5124.2-177.2-165.1-89.2000111.9V164 L204 P206 L211 I216V164-F209 HydrophobicContact CB-CZ 4.19Å; V164-F209 HydrophobicContact CG1-CE1 4.18Å; V164-F209 HydrophobicContact CG1-CE2 3.55Å; V164-F209 HydrophobicContact CG1-CZ 3.33Å; V164-F209 HydrophobicContact CG2-CE2 4.42Å; V164-F209 HydrophobicContact CG2-CZ 3.75Å; L204-F209 HydrophobicContact CD2-CD1 3.73Å; L204-F209 HydrophobicContact CD2-CE1 3.57Å; L204-F209 HydrophobicContact CD2-CE2 4.48Å; L204-F209 HydrophobicContact CD2-CG 4.28Å; L204-F209 HydrophobicContact CD2-CZ 4.01Å; P206-F209 PolarHBondContact O-N 2.96Å; F209-L211 HydrophobicContact CE1-CD1 4.1Å; F209-L211 HydrophobicContact CZ-CD1 4.49Å; F209-I216 HydrophobicContact CD1-CD1 3.83Å; F209-I216 HydrophobicContact CD1-CG1 4.16Å; F209-I216 HydrophobicContact CE1-CD1 4.04Å
210Q81.8Confident83.9Confident108 Ų10872.5 Ų72.551%0.50538%0.38SS..EExtended strand (participates in β ladder)trans-125.4133.4179.2-66.4-177.6-1.600111.1T208 H214T208-Q210 PolarHBondContact O-N 3.28Å; Q210-H214 CarbonylContact C-O 3.57Å; Q210-H214 VanDerWaalsContact CA-O 3.28Å; Q210-H214 WeakPolarHBondContact CA-O 3.43Å
211L80.6Confident83.8Confident2 Ų272.5 Ų72.51%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-105.5118.5173.8-155.573.6000107.6I148 E160 M161 F209 G213 H214 I216I148-L211 HydrophobicContact CG2-CD2 4.34Å; E160-L211 HydrophobicContact CB-CD1 4.31Å; E160-L211 HydrophobicContact CG-CD1 3.54Å; E160-L211 HydrophobicContact CG-CG 4.17Å; M161-L211 HydrophobicContact SD-CD2 4.39Å; F209-L211 HydrophobicContact CE1-CD1 4.1Å; F209-L211 HydrophobicContact CZ-CD1 4.49Å; L211-G213 PolarHBondContact O-N 3.42Å; L211-H214 PolarHBondContact N-O 3.25Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 3.03Å; L211-I216 HydrophobicContact CB-CD1 4.43Å; L211-I216 HydrophobicContact CB-CG2 3.49Å; L211-I216 VanDerWaalsContact CB-CG2 3.49Å; L211-I216 HydrophobicContact CD2-CG2 4.09Å; L211-I216 HydrophobicContact CG-CG2 4.45Å
212W85.2Confident83.4Confident67 Ų6775.9 Ų75.925%0.25440%0.404SS..THydrogen-bonded Turntrans50.939.7-171.7-46.4-66.7000114I148 P149 K152 I157 E160 H214I148-W212 HydrophobicContact CB-CZ3 4.25Å; I148-W212 HydrophobicContact CG2-CZ3 4.26Å; P149-W212 VanDerWaalsContact CD-CE3 3.46Å; P149-W212 HydrophobicContact CG-CE3 3.93Å; K152-W212 HydrophobicContact CB-CH2 4.4Å; K152-W212 HydrophobicContact CD-CZ2 4.4Å; K152-W212 HydrophobicContact CG-CD2 4.28Å; K152-W212 HydrophobicContact CG-CE3 4.14Å; K152-W212 HydrophobicContact CG-CH2 4.12Å; K152-W212 HydrophobicContact CG-CZ2 4.26Å; K152-W212 HydrophobicContact CG-CZ3 4.04Å; I157-W212 HydrophobicContact CB-CH2 4.22Å; I157-W212 HydrophobicContact CG1-CH2 3.67Å; I157-W212 HydrophobicContact CG1-CZ2 4.48Å; I157-W212 HydrophobicContact CG1-CZ3 4.46Å; I157-W212 HydrophobicContact CG2-CH2 4.47Å; E160-W212 HydrophobicContact CB-CH2 4.45Å; E160-W212 HydrophobicContact CB-CZ2 3.63Å; E160-W212 HydrophobicContact CG-CZ2 3.94Å; W212-H214 PolarHBondContact O-N 3.13Å; W212-H214 PolarHBondContact O-ND1 2.94Å
213G80.1Confident82.8Confident56 Ų5669.5 Ų69.558%0.57739%0.388SS*.THydrogen-bonded Turntrans72.18.8-178.200000115.1L211L211-G213 PolarHBondContact O-N 3.42Å
214H81.4Confident81.9Confident98 Ų9868.8 Ų68.845%0.45439%0.387SS..EExtended strand (participates in β ladder)trans-109.6133.1176.9-65.865.9000110Q210 L211 W212 I216Q210-H214 CarbonylContact C-O 3.57Å; Q210-H214 VanDerWaalsContact CA-O 3.28Å; Q210-H214 WeakPolarHBondContact CA-O 3.43Å; L211-H214 PolarHBondContact N-O 3.25Å; L211-H214 WeakPolarHBondContact O-CB 3.24Å; L211-H214 PolarHBondContact O-N 3.03Å; W212-H214 PolarHBondContact O-N 3.13Å; W212-H214 PolarHBondContact O-ND1 2.94Å; H214-I216 PolarHBondContact O-N 2.74Å
215T85.6Confident81Confident83 Ų8373.7 Ų73.751%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-69115.1171.3-53.40000109.2
216I89.8Confident80.3Confident14 Ų1476 Ų767%0.07242%0.417CS..  trans-84.6154.4179.355.6170.4000111.6I145 I148 L204 F209 L211 H214 V218I145-I216 HydrophobicContact CG2-CB 4.19Å; I145-I216 HydrophobicContact CG2-CD1 4.07Å; I145-I216 HydrophobicContact CG2-CG2 4.3Å; I148-I216 HydrophobicContact CG2-CG2 4.38Å; L204-I216 HydrophobicContact CB-CD1 4.48Å; L204-I216 HydrophobicContact CD2-CD1 4.19Å; F209-I216 HydrophobicContact CD1-CD1 3.83Å; F209-I216 HydrophobicContact CD1-CG1 4.16Å; F209-I216 HydrophobicContact CE1-CD1 4.04Å; L211-I216 HydrophobicContact CB-CD1 4.43Å; L211-I216 HydrophobicContact CB-CG2 3.49Å; L211-I216 VanDerWaalsContact CB-CG2 3.49Å; L211-I216 HydrophobicContact CD2-CG2 4.09Å; L211-I216 HydrophobicContact CG-CG2 4.45Å; H214-I216 PolarHBondContact O-N 2.74Å; I216-V218 HydrophobicContact CD1-CG2 3.68Å; I216-V218 HydrophobicContact CG1-CG2 4.02Å
217Q90.3Very high80.4Confident129 Ų12974.8 Ų74.860%0.60341%0.408SS*.EExtended strand (participates in β ladder)trans-98.8127.9168-68.6-179.3-20.700108.7I145 G146 A147I145-Q217 CarbonylContact C-O 3.52Å; I145-Q217 WeakPolarHBondContact CA-O 3.32Å; G146-Q217 PolarHBondContact N-O 3.46Å; G146-Q217 PolarHBondContact O-N 2.88Å; A147-Q217 HydrophobicContact CB-CG 4.44Å
218V92.2Very high81.2Confident20 Ų2075.4 Ų75.412%0.12139%0.394CS..EExtended strand (participates in β ladder)trans-124.3121.2179.7-178.50000110.4L143 F144 I145 R201 L204 I205 I216L143-V218 HydrophobicContact CD1-CG1 4.12Å; F144-V218 WeakPolarHBondContact O-CA 3.27Å; I145-V218 HydrophobicContact CD1-CB 4.15Å; I145-V218 HydrophobicContact CD1-CG1 3.78Å; I145-V218 HydrophobicContact CD1-CG2 3.55Å; R201-V218 HydrophobicContact CG-CG1 4.2Å; L204-V218 HydrophobicContact CB-CB 4.34Å; L204-V218 HydrophobicContact CB-CG1 4.31Å; L204-V218 HydrophobicContact CB-CG2 3.71Å; L204-V218 HydrophobicContact CD1-CG1 4.36Å; L204-V218 HydrophobicContact CD1-CG2 4.3Å; I205-V218 HydrophobicContact CG1-CB 4.18Å; I205-V218 HydrophobicContact CG1-CG1 4.47Å; I216-V218 HydrophobicContact CD1-CG2 3.68Å; I216-V218 HydrophobicContact CG1-CG2 4.02Å
219D92.4Very high81.9Confident82 Ų8275.6 Ų75.644%0.43939%0.386SS..EExtended strand (participates in β ladder)trans-138.4172.2169.5-149.9-4000112L143 F144 R201L143-D219 CarbonylContact C-O 3.57Å; L143-D219 WeakPolarHBondContact CA-O 3.28Å; F144-D219 PolarHBondContact N-O 2.62Å; F144-D219 PolarHBondContact O-N 3.17Å; R201-D219 IonicContact CZ-OD1 2.78Å; R201-D219 IonicContact NE-OD1 2.93Å; R201-D219 PolarHBondContact NE-OD1 3.31Å; R201-D219 IonicContact NH2-OD1 3.72Å; R201-D219 PolarHBondContact NH2-OD1 3.31Å
220W92.1Very high82.2Confident72 Ų7278.6 Ų78.627%0.27340%0.401SS..EExtended strand (participates in β ladder)trans-63.7134.6167.3-71.4117.5000110.1N140 L143 H194 A197 A198 R201N140-W220 HydrophobicContact CB-CE3 4.12Å; N140-W220 HydrophobicContact CB-CZ3 4.35Å; N140-W220 WeakPolarHBondContact O-CZ3 3.3Å; L143-W220 HydrophobicContact CD2-CD2 4.06Å; L143-W220 HydrophobicContact CD2-CE3 3.45Å; L143-W220 VanDerWaalsContact CD2-CE3 3.45Å; L143-W220 HydrophobicContact CD2-CH2 4.31Å; L143-W220 HydrophobicContact CD2-CZ3 3.58Å; H194-W220 AromaticContact CE1-CH2 3.53Å; H194-W220 AromaticContact CE1-CZ2 3.86Å; H194-W220 AromaticContact ND1-CH2 3.78Å; A197-W220 HydrophobicContact CB-CH2 4Å; A197-W220 HydrophobicContact CB-CZ3 3.67Å; A198-W220 HydrophobicContact CB-CH2 3.95Å; A198-W220 HydrophobicContact CB-CZ2 4.14Å; R201-W220 VanDerWaalsContact CD-CE2 3.44Å; R201-W220 VanDerWaalsContact CZ-CD1 3.5Å
221A91Very high82.3Confident5 Ų575.9 Ų75.94%0.04139%0.392CS..PPolyproline II helixtrans-72.3152.5167.100000109.6N140 R142 F188 P223N140-A221 PolarHBondContact ND2-O 2.76Å; R142-A221 HydrophobicContact CB-CB 3.92Å; R142-A221 HydrophobicContact CG-CB 3.76Å; R142-A221 VanDerWaalsContact O-CB 3.26Å; R142-A221 WeakPolarHBondContact O-CB 3.42Å; R142-A221 PolarHBondContact O-N 2.88Å; F188-A221 HydrophobicContact CD1-CB 3.66Å; F188-A221 HydrophobicContact CE1-CB 3.84Å; A221-P223 WeakPolarHBondContact O-CD 3.47Å
222D84.8Confident82.6Confident142 Ų14277.6 Ų77.676%0.75940%0.4SS*.PPolyproline II helixtrans-57.6123.9169.1-77.7-40.6000109.8E224D222-E224 PolarHBondContact O-N 3.34Å; D222-E224 VanDerWaalsContact O-N 3.14Å
223P75.3Confident82.6Confident65 Ų6580 Ų8042%0.42241%0.414SS..PPolyproline II helixtrans-57.2121.1178.6-26.735000110.9N140 A221 K225N140-P223 HydrophobicContact CB-CG 4.42Å; A221-P223 WeakPolarHBondContact O-CD 3.47Å; P223-K225 PolarHBondContact O-N 3.36Å; P223-K225 VanDerWaalsContact O-N 3.12Å
224E72.4Confident83Confident102 Ų10285.8 Ų85.848%0.47742%0.419SS..  trans-72.2112.3-178.5-162.6-178.4155.100109R142 D222 E226 K307R142-E224 IonicContact CZ-OE2 2.65Å; R142-E224 IonicContact NH1-OE2 3.88Å; R142-E224 PolarHBondContact NH1-OE2 2.85Å; R142-E224 IonicContact NH2-OE2 3Å; R142-E224 PolarHBondContact NH2-OE2 3.13Å; D222-E224 PolarHBondContact O-N 3.34Å; D222-E224 VanDerWaalsContact O-N 3.14Å; E224-E226 PolarHBondContact O-N 3.44Å; E224-K307 VanDerWaalsContact OE1-CE 3.28Å; E224-K307 WeakPolarHBondContact OE1-CE 3.02Å; E224-K307 IonicContact OE1-NZ 2.77Å; E224-K307 PolarHBondContact OE1-NZ 3.12Å
225K69.2Low83.4Confident107 Ų10781.7 Ų81.747%0.46540%0.401SS..  trans-59.1118.5-179.7-66.2176.7-173.3166.70109.8P223 K307P223-K225 PolarHBondContact O-N 3.36Å; P223-K225 VanDerWaalsContact O-N 3.12Å; K225-K307 PolarHBondContact O-NZ 2.84Å
226E69.4Low83.8Confident131 Ų13182.3 Ų82.361%0.61240%0.396SS*.  trans-68.4136.6160-63.8-167.3-17400108.2E224E224-E226 PolarHBondContact O-N 3.44Å
227V76.8Confident84.1Confident38 Ų3883.1 Ų83.123%0.2340%0.402CS..  trans-114.8137.4174.3177.60000105.3T231 M232 P308V227-T231 HydrophobicContact CG1-CG2 3.62Å; V227-M232 HydrophobicContact CB-CE 3.75Å; V227-M232 HydrophobicContact CB-CG 4.08Å; V227-M232 HydrophobicContact CB-SD 4.35Å; V227-M232 HydrophobicContact CG1-CE 4.41Å; V227-M232 HydrophobicContact CG1-CG 4.03Å; V227-M232 HydrophobicContact CG1-SD 4.4Å; V227-M232 HydrophobicContact CG2-CE 4.11Å; V227-P308 HydrophobicContact CG1-CG 3.97Å
228D75.2Confident84.3Confident87 Ų8777 Ų7747%0.46537%0.373SS..  trans-55.9145.9179.456.5-75.9000112E230 T231 M232D228-E230 PolarHBondContact O-N 3Å; D228-T231 VanDerWaalsContact CG-OG1 3.28Å; D228-T231 PolarHBondContact O-N 3.22Å; D228-T231 WeakPolarHBondContact OD1-CB 3.35Å; D228-T231 PolarHBondContact OD1-OG1 2.66Å; D228-T231 WeakPolarHBondContact OD2-CA 3.37Å; D228-T231 WeakPolarHBondContact OD2-CB 3.09Å; D228-T231 PolarHBondContact OD2-N 2.86Å; D228-T231 PolarHBondContact OD2-OG1 3.17Å; D228-M232 PolarHBondContact O-N 3.44Å
229E79.1Confident84.5Confident131 Ų13179 Ų7961%0.61238%0.379SS*.Hα-helixtrans-62.5-32.4-175.3-69173.1-145.700111.8K111 M232 Q233K111-E229 IonicContact NZ-OE1 3.3Å; E229-M232 CarbonylContact O-C 3.55Å; E229-M232 PolarHBondContact O-N 3.49Å; E229-Q233 WeakPolarHBondContact O-CB 3.47Å; E229-Q233 WeakPolarHBondContact O-CG 3.23Å; E229-Q233 PolarHBondContact O-N 3.39Å
230E82Confident84.6Confident111 Ų11175.1 Ų75.152%0.51936%0.358SS..Hα-helixtrans-64.7-45.6176.1-169.1-172.1166.400112D228 Q233 R234D228-E230 PolarHBondContact O-N 3Å; E230-Q233 WeakPolarHBondContact O-CB 3.37Å; E230-Q233 PolarHBondContact O-N 2.79Å; E230-R234 WeakPolarHBondContact O-CG 3.45Å; E230-R234 PolarHBondContact O-N 3.29Å; E230-R234 IonicContact OE1-CZ 2.68Å; E230-R234 IonicContact OE1-NE 3.73Å; E230-R234 IonicContact OE1-NH2 2.7Å; E230-R234 PolarHBondContact OE1-NH2 3.49Å
231T84.6Confident84.6Confident52 Ų5274.7 Ų74.732%0.31936%0.356SS..Hα-helixtrans-65.3-41174.5-67.20000110.9V227 D228 Q233 R234 P308V227-T231 HydrophobicContact CG1-CG2 3.62Å; D228-T231 VanDerWaalsContact CG-OG1 3.28Å; D228-T231 PolarHBondContact O-N 3.22Å; D228-T231 WeakPolarHBondContact OD1-CB 3.35Å; D228-T231 PolarHBondContact OD1-OG1 2.66Å; D228-T231 WeakPolarHBondContact OD2-CA 3.37Å; D228-T231 WeakPolarHBondContact OD2-CB 3.09Å; D228-T231 PolarHBondContact OD2-N 2.86Å; D228-T231 PolarHBondContact OD2-OG1 3.17Å; T231-Q233 VanDerWaalsContact C-N 3.28Å; T231-Q233 PolarHBondContact O-N 3.29Å; T231-R234 PolarHBondContact O-N 3.05Å; T231-P308 HydrophobicContact CG2-CB 4.46Å; T231-P308 HydrophobicContact CG2-CG 3.55Å
232M85.9Confident84.5Confident38 Ų3875.5 Ų75.519%0.18736%0.36CS..Hα-helixtrans-64-30.2173.5-74.7-63.9-15800113.2V227 D228 E229 R234 V235 R281 K307V227-M232 HydrophobicContact CB-CE 3.75Å; V227-M232 HydrophobicContact CB-CG 4.08Å; V227-M232 HydrophobicContact CB-SD 4.35Å; V227-M232 HydrophobicContact CG1-CE 4.41Å; V227-M232 HydrophobicContact CG1-CG 4.03Å; V227-M232 HydrophobicContact CG1-SD 4.4Å; V227-M232 HydrophobicContact CG2-CE 4.11Å; D228-M232 PolarHBondContact O-N 3.44Å; E229-M232 CarbonylContact O-C 3.55Å; E229-M232 PolarHBondContact O-N 3.49Å; M232-R234 PolarHBondContact O-N 2.86Å; M232-V235 PolarHBondContact O-N 2.87Å; M232-V235 HydrophobicContact SD-CG2 4.22Å; M232-R281 PolarHBondContact O-NH1 3.05Å; M232-R281 PolarHBondContact O-NH2 3.45Å; M232-K307 HydrophobicContact CE-CB 4.32Å; M232-K307 HydrophobicContact CE-CD 4.3Å; M232-K307 HydrophobicContact CE-CG 3.76Å
233Q86Confident84.8Confident117 Ų11768.7 Ų68.755%0.54732%0.324SS..Hα-helixtrans-68.3-17.1172.3-78.2169.730.600113.3E229 E230 T231 R281E229-Q233 WeakPolarHBondContact O-CB 3.47Å; E229-Q233 WeakPolarHBondContact O-CG 3.23Å; E229-Q233 PolarHBondContact O-N 3.39Å; E230-Q233 WeakPolarHBondContact O-CB 3.37Å; E230-Q233 PolarHBondContact O-N 2.79Å; T231-Q233 VanDerWaalsContact C-N 3.28Å; T231-Q233 PolarHBondContact O-N 3.29Å; Q233-R281 WeakPolarHBondContact O-CD 3.4Å; Q233-R281 VanDerWaalsContact O-CZ 3.29Å; Q233-R281 PolarHBondContact O-NE 3.41Å; Q233-R281 PolarHBondContact O-NH1 3.08Å
234R87.3Confident85.4Confident177 Ų17767.9 Ų67.967%0.66832%0.315SS*.THydrogen-bonded Turntrans-96-8177.4-61.8170.1-173.7-154.70113.5E230 T231 M232 K236E230-R234 WeakPolarHBondContact O-CG 3.45Å; E230-R234 PolarHBondContact O-N 3.29Å; E230-R234 IonicContact OE1-CZ 2.68Å; E230-R234 IonicContact OE1-NE 3.73Å; E230-R234 IonicContact OE1-NH2 2.7Å; E230-R234 PolarHBondContact OE1-NH2 3.49Å; T231-R234 PolarHBondContact O-N 3.05Å; M232-R234 PolarHBondContact O-N 2.86Å; R234-K236 PolarHBondContact O-N 2.67Å
235V90.3Very high86.1Confident12 Ų1267 Ų677%0.07331%0.313CS..  trans-67.8130-179.9176.50000111.3M232 V237 R281 L305 A306 P308M232-V235 PolarHBondContact O-N 2.87Å; M232-V235 HydrophobicContact SD-CG2 4.22Å; V235-V237 HydrophobicContact CG1-CB 4.44Å; V235-V237 WeakPolarHBondContact CG1-O 3.17Å; V235-R281 PolarHBondContact O-NH1 3.45Å; V235-L305 HydrophobicContact CB-CD2 4.35Å; V235-L305 HydrophobicContact CG1-CB 4.36Å; V235-L305 HydrophobicContact CG1-CD2 3.94Å; V235-A306 WeakPolarHBondContact CG1-O 3.42Å; V235-P308 HydrophobicContact CG2-CB 4.49Å; V235-P308 HydrophobicContact CG2-CG 3.99Å
236K94.1Very high87Confident97 Ų9766.2 Ų66.242%0.42232%0.321SS..  trans-11814.4173.2-54.9-177.4173.9-171.70113.1R234 F278 F279 R281R234-K236 PolarHBondContact O-N 2.67Å; K236-F278 WeakPolarHBondContact CB-O 3.46Å; K236-F278 PolarHBondContact O-N 2.81Å; K236-F279 WeakPolarHBondContact CD-O 3.02Å; K236-F279 WeakPolarHBondContact CE-O 3.48Å; K236-F279 PolarHBondContact NZ-O 3.32Å; K236-R281 HydrophobicContact CG-CB 4.3Å
237V94.8Very high88.1Confident30 Ų3060.1 Ų60.118%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-118.5128.1-173-172.90000108.7V235 F275 V276 H277 A306V235-V237 HydrophobicContact CG1-CB 4.44Å; V235-V237 WeakPolarHBondContact CG1-O 3.17Å; V237-F275 HydrophobicContact CG1-CB 3.99Å; V237-F275 HydrophobicContact CG1-CD1 4.2Å; V237-V276 CarbonylContact C-O 3.56Å; V237-V276 WeakPolarHBondContact CA-O 3.1Å; V237-H277 WeakPolarHBondContact CG2-ND1 3.42Å; V237-A306 HydrophobicContact CB-CB 4.04Å; V237-A306 HydrophobicContact CG1-CB 3.94Å; V237-A306 WeakPolarHBondContact O-CB 3.3Å; V237-A306 PolarHBondContact O-N 2.89Å
238L95.6Very high88.9Confident0 Ų061.2 Ų61.20%030%0.299CS..EExtended strand (participates in β ladder)trans-94.3136.4172.7-56.4-176.7000110F256 F275 V276 F278 A284 A287 M288 V303 T304 L305L238-F256 HydrophobicContact CD1-CE1 3.99Å; L238-F275 CarbonylContact O-C 3.43Å; L238-F275 VanDerWaalsContact O-CA 3.32Å; L238-F275 WeakPolarHBondContact O-CA 3.16Å; L238-V276 HydrophobicContact CB-CB 4.4Å; L238-V276 PolarHBondContact N-O 3.46Å; L238-V276 PolarHBondContact O-N 2.86Å; L238-F278 HydrophobicContact CB-CE2 4.49Å; L238-F278 HydrophobicContact CD1-CD2 4.36Å; L238-F278 HydrophobicContact CD1-CE2 3.49Å; L238-F278 VanDerWaalsContact CD1-CE2 3.49Å; L238-F278 HydrophobicContact CD1-CZ 4Å; L238-F278 HydrophobicContact CG-CD2 4.21Å; L238-F278 HydrophobicContact CG-CE2 3.75Å; L238-A284 WeakPolarHBondContact CD1-O 3.37Å; L238-A284 HydrophobicContact CD2-CB 4.07Å; L238-A284 HydrophobicContact CG-CB 4.25Å; L238-A287 HydrophobicContact CD1-CB 4.27Å; L238-M288 HydrophobicContact CD1-CB 4.1Å; L238-M288 HydrophobicContact CD2-CB 3.93Å; L238-M288 HydrophobicContact CD2-CG 4.43Å; L238-M288 HydrophobicContact CD2-SD 4.42Å; L238-V303 HydrophobicContact CB-CG1 3.94Å; L238-V303 HydrophobicContact CD1-CG1 3.69Å; L238-V303 HydrophobicContact CG-CG1 4.26Å; L238-T304 CarbonylContact C-O 3.54Å; L238-T304 WeakPolarHBondContact CA-O 3.37Å; L238-L305 HydrophobicContact CD2-CD2 3.99Å
239Y95.5Very high89.9Confident63 Ų6360.7 Ų60.725%0.24729%0.294CS..EExtended strand (participates in β ladder)trans-92.9117.3165.6175.4-112.8000107.9R241 Y273 F275 V303 T304Y239-R241 HydrophobicContact CE1-CB 3.84Å; Y239-R241 HydrophobicContact CE1-CG 4.27Å; Y239-Y273 HydrophobicContact CD2-CD2 4.27Å; Y239-Y273 AromaticContact CE2-CD2 3.5Å; Y239-Y273 HydrophobicContact CE2-CD2 3.5Å; Y239-Y273 HydrophobicContact CE2-CE2 4.17Å; Y239-Y273 AromaticContact CE2-CG 3.8Å; Y239-Y273 HydrophobicContact CE2-CG 3.8Å; Y239-F275 HydrophobicContact CD2-CD1 4.16Å; Y239-F275 AromaticContact CD2-CE1 3.59Å; Y239-F275 HydrophobicContact CD2-CE1 3.59Å; Y239-F275 AromaticContact CD2-CZ 3.9Å; Y239-F275 HydrophobicContact CD2-CZ 3.9Å; Y239-F275 HydrophobicContact CE2-CE1 4.42Å; Y239-F275 HydrophobicContact CE2-CZ 4.3Å; Y239-F275 HydrophobicContact CG-CE1 4.35Å; Y239-V303 WeakPolarHBondContact O-CA 3.43Å; Y239-T304 PolarHBondContact N-O 3.42Å; Y239-T304 PolarHBondContact O-N 3.37Å
240V94.6Very high90.6Very high0 Ų060.6 Ų60.60%029%0.293CS..EExtended strand (participates in β ladder)trans-109.9116.2-179.2-1770000107.5L243 F256 Y273 A274 V276 I301 E302 V303V240-L243 HydrophobicContact CG1-CD1 4.18Å; V240-L243 HydrophobicContact CG1-CD2 4.21Å; V240-L243 HydrophobicContact CG1-CG 4.19Å; V240-F256 HydrophobicContact CG1-CE2 4.39Å; V240-F256 HydrophobicContact CG1-CZ 4.36Å; V240-F256 HydrophobicContact CG2-CE1 4.37Å; V240-F256 HydrophobicContact CG2-CE2 3.94Å; V240-F256 HydrophobicContact CG2-CZ 3.52Å; V240-Y273 CarbonylContact O-C 3.59Å; V240-Y273 WeakPolarHBondContact O-CA 3.47Å; V240-Y273 VanDerWaalsContact O-CB 3.27Å; V240-Y273 WeakPolarHBondContact O-CB 3.36Å; V240-A274 PolarHBondContact N-O 3.04Å; V240-A274 PolarHBondContact O-N 3.12Å; V240-V276 HydrophobicContact CG2-CG2 3.7Å; V240-I301 HydrophobicContact CG1-CB 4.05Å; V240-I301 HydrophobicContact CG1-CD1 3.88Å; V240-I301 HydrophobicContact CG1-CG2 4.31Å; V240-E302 CarbonylContact C-O 3.49Å; V240-E302 WeakPolarHBondContact CA-O 3.34Å; V240-V303 HydrophobicContact CG1-CG2 4.34Å; V240-V303 HydrophobicContact CG2-CG1 4.23Å; V240-V303 HydrophobicContact CG2-CG2 4.29Å
241R92.1Very high91.2Very high63 Ų6357.4 Ų57.424%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-115.1173.318072.1179.1-173.3-174.42.2112.2Y174 Y239 L243 E302Y174-R241 PolarHBondContact OH-NH1 2.86Å; Y239-R241 HydrophobicContact CE1-CB 3.84Å; Y239-R241 HydrophobicContact CE1-CG 4.27Å; R241-L243 VanDerWaalsContact C-N 3.3Å; R241-L243 PolarHBondContact O-N 3Å; R241-E302 HydrophobicContact CG-CB 3.73Å; R241-E302 IonicContact CZ-OE2 2.73Å; R241-E302 PolarHBondContact N-O 3.42Å; R241-E302 IonicContact NE-OE2 3.38Å; R241-E302 PolarHBondContact NE-OE2 3Å; R241-E302 IonicContact NH2-OE2 3.29Å; R241-E302 PolarHBondContact NH2-OE2 3.06Å; R241-E302 PolarHBondContact O-N 3.03Å; R241-E302 VanDerWaalsContact O-N 3.1Å
242N89.6Confident91.7Very high22 Ų2254.9 Ų54.912%0.11827%0.266CS..SBendtrans65.722.1-177.2-161.130.9000115.3K180 D272 A299 S300K180-N242 PolarHBondContact NZ-O 2.92Å; K180-N242 PolarHBondContact NZ-OD1 2.61Å; N242-D272 PolarHBondContact N-O 2.91Å; N242-D272 VanDerWaalsContact N-O 3.16Å; N242-A299 WeakPolarHBondContact O-CB 3.41Å; N242-S300 PolarHBondContact ND2-O 3.1Å
243L90Very high92.1Very high0 Ų057 Ų570%028%0.275CS..  trans-65.3162172.7-66.4162.7000111.7K180 V240 R241 T247 I252 D272 A274 I301K180-L243 PolarHBondContact NZ-O 2.8Å; V240-L243 HydrophobicContact CG1-CD1 4.18Å; V240-L243 HydrophobicContact CG1-CD2 4.21Å; V240-L243 HydrophobicContact CG1-CG 4.19Å; R241-L243 VanDerWaalsContact C-N 3.3Å; R241-L243 PolarHBondContact O-N 3Å; L243-T247 HydrophobicContact CD2-CG2 4.2Å; L243-I252 HydrophobicContact CD1-CD1 3.6Å; L243-I252 HydrophobicContact CD1-CG1 4.48Å; L243-I252 HydrophobicContact CD2-CD1 4.11Å; L243-I252 HydrophobicContact CD2-CG1 4.17Å; L243-D272 PolarHBondContact N-O 3.12Å; L243-A274 HydrophobicContact CD1-CB 3.69Å; L243-I301 HydrophobicContact CD2-CG2 3.53Å; L243-I301 HydrophobicContact CG-CG2 4.23Å
244M87.9Confident92.4Very high48 Ų4854 Ų5424%0.23627%0.269CS..  trans-78.8153.9166.5-64.8-67.4-87.300110.2K180 S246 T247 K269 D297 A299K180-M244 HydrophobicContact CD-SD 4.27Å; K180-M244 WeakPolarHBondContact CE-SD 3.36Å; K180-M244 HydrophobicContact CG-SD 3.96Å; M244-S246 PolarHBondContact O-N 2.65Å; M244-T247 PolarHBondContact O-N 3Å; M244-K269 WeakPolarHBondContact O-CE 3.25Å; M244-K269 PolarHBondContact O-NZ 2.95Å; M244-K269 VanDerWaalsContact O-NZ 3.1Å; M244-D297 HydrophobicContact CG-CB 4.35Å; M244-A299 HydrophobicContact CG-CB 3.85Å; M244-A299 HydrophobicContact SD-CB 4.13Å
245I88.1Confident92.7Very high84 Ų8447.6 Ų47.643%0.43125%0.247SC..SBendtrans-61.8-37.4173.4-61.3174.1000110A177 T178 K269 R271A177-I245 HydrophobicContact CB-CD1 3.85Å; A177-I245 HydrophobicContact CB-CG1 3.92Å; T178-I245 HydrophobicContact CG2-CD1 4.16Å; I245-K269 PolarHBondContact O-NZ 2.82Å; I245-R271 HydrophobicContact CG1-CG 4.23Å
246S89.1Confident92.9Very high90 Ų9047 Ų4763%0.62924%0.243SC*.SBendtrans-71.2-23.1179.3500000115.7M244 T248M244-S246 PolarHBondContact O-N 2.65Å; S246-T248 PolarHBondContact O-N 2.84Å
247T91.3Very high92.8Very high3 Ų343.8 Ų43.82%0.01823%0.231CC..  trans-60.1134.1178-54.80000110L243 M244 T251 I252 K269 I296 D297L243-T247 HydrophobicContact CD2-CG2 4.2Å; M244-T247 PolarHBondContact O-N 3Å; T247-T251 HydrophobicContact CG2-CG2 4.31Å; T247-I252 HydrophobicContact CG2-CD1 4.07Å; T247-I252 HydrophobicContact CG2-CG1 3.75Å; T247-K269 WeakPolarHBondContact O-CD 3.21Å; T247-K269 WeakPolarHBondContact O-CE 3.36Å; T247-K269 PolarHBondContact O-NZ 3.02Å; T247-I296 HydrophobicContact CG2-CG2 3.91Å; T247-D297 VanDerWaalsContact CA-OD2 3.26Å; T247-D297 WeakPolarHBondContact CA-OD2 3.26Å; T247-D297 WeakPolarHBondContact CB-OD2 3.42Å; T247-D297 VanDerWaalsContact CG2-OD2 3.27Å; T247-D297 WeakPolarHBondContact CG2-OD2 3.33Å; T247-D297 PolarHBondContact OG1-OD2 3.01Å
248T94.3Very high92.5Very high61 Ų6148.9 Ų48.937%0.37425%0.251SS..  trans-97.8168.1-179.683.40000112.5S246 E250 T251 I252S246-T248 PolarHBondContact O-N 2.84Å; T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 WeakPolarHBondContact CB-OE2 3.44Å; T248-E250 PolarHBondContact O-N 3.46Å; T248-E250 PolarHBondContact OG1-N 3.37Å; T248-E250 PolarHBondContact OG1-OE2 2.89Å; T248-T251 PolarHBondContact OG1-N 3.13Å; T248-T251 PolarHBondContact OG1-OG1 2.9Å; T248-I252 WeakPolarHBondContact O-CD1 3.44Å; T248-I252 WeakPolarHBondContact O-CG1 3.36Å; T248-I252 PolarHBondContact O-N 3.44Å
249E95.3Very high92Very high75 Ų7553 Ų5335%0.3527%0.269SS..Hα-helixtrans-65-32.9175.8-67.5-167.2164.200112I252 K253 V267 K268 K269E249-I252 PolarHBondContact O-N 2.71Å; E249-K253 WeakPolarHBondContact O-CB 3.19Å; E249-K253 PolarHBondContact O-N 3.08Å; E249-V267 HydrophobicContact CB-CB 4.35Å; E249-V267 HydrophobicContact CB-CG1 4.19Å; E249-V267 HydrophobicContact CG-CG1 4.23Å; E249-K268 WeakPolarHBondContact OE1-CA 3.34Å; E249-K269 HydrophobicContact CG-CB 3.58Å; E249-K269 PolarHBondContact OE1-N 2.92Å
250E94.6Very high91.6Very high129 Ų12954.2 Ų54.260%0.60328%0.275SS*.Hα-helixtrans-67.8-45.3178.8-57.368.4-146.600110.8T248 I252 K253 A254T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 WeakPolarHBondContact CB-OE2 3.44Å; T248-E250 PolarHBondContact O-N 3.46Å; T248-E250 PolarHBondContact OG1-N 3.37Å; T248-E250 PolarHBondContact OG1-OE2 2.89Å; E250-I252 VanDerWaalsContact C-N 3.34Å; E250-I252 PolarHBondContact O-N 3.18Å; E250-K253 PolarHBondContact O-N 3.21Å; E250-A254 WeakPolarHBondContact O-CB 3.31Å; E250-A254 PolarHBondContact O-N 3.45Å
251T94.6Very high91.3Very high44 Ų4459.8 Ų59.827%0.2731%0.311SS..Hα-helixtrans-58.3-46.7174.7-58.60000110.7T247 T248 A254 E255 I296T247-T251 HydrophobicContact CG2-CG2 4.31Å; T248-T251 PolarHBondContact OG1-N 3.13Å; T248-T251 PolarHBondContact OG1-OG1 2.9Å; T251-A254 PolarHBondContact O-N 2.99Å; T251-E255 WeakPolarHBondContact O-CG 3.45Å; T251-E255 PolarHBondContact O-N 3.02Å; T251-I296 HydrophobicContact CG2-CG2 4.04Å
252I94.8Very high91.1Very high0 Ų059.4 Ų59.40%033%0.327CS..Hα-helixtrans-62.5-47.2177-62.9163.2000110.3L243 T247 T248 E249 E250 A254 E255 F256 V267 K269 A274 V276L243-I252 HydrophobicContact CD1-CD1 3.6Å; L243-I252 HydrophobicContact CD1-CG1 4.48Å; L243-I252 HydrophobicContact CD2-CD1 4.11Å; L243-I252 HydrophobicContact CD2-CG1 4.17Å; T247-I252 HydrophobicContact CG2-CD1 4.07Å; T247-I252 HydrophobicContact CG2-CG1 3.75Å; T248-I252 WeakPolarHBondContact O-CD1 3.44Å; T248-I252 WeakPolarHBondContact O-CG1 3.36Å; T248-I252 PolarHBondContact O-N 3.44Å; E249-I252 PolarHBondContact O-N 2.71Å; E250-I252 VanDerWaalsContact C-N 3.34Å; E250-I252 PolarHBondContact O-N 3.18Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 2.85Å; I252-E255 PolarHBondContact O-N 3.38Å; I252-F256 HydrophobicContact CG2-CD2 3.81Å; I252-F256 HydrophobicContact CG2-CE2 4Å; I252-F256 WeakPolarHBondContact O-CD2 3.47Å; I252-F256 PolarHBondContact O-N 3.36Å; I252-V267 HydrophobicContact CB-CG1 4.14Å; I252-V267 HydrophobicContact CB-CG2 4.5Å; I252-V267 HydrophobicContact CD1-CG1 4.38Å; I252-V267 HydrophobicContact CG2-CG1 3.88Å; I252-V267 HydrophobicContact CG2-CG2 4.06Å; I252-K269 HydrophobicContact CD1-CB 4.39Å; I252-K269 HydrophobicContact CD1-CD 3.84Å; I252-K269 HydrophobicContact CD1-CG 4.28Å; I252-A274 HydrophobicContact CD1-CB 3.88Å; I252-V276 HydrophobicContact CG2-CG2 3.84Å
253K94.5Very high91.2Very high83 Ų8358.6 Ų58.636%0.36132%0.323SS..Hα-helixtrans-61.6-37.4178.8-173.3162.6178.1167.70111.4E249 E250 N257 V264 E265 V267E249-K253 WeakPolarHBondContact O-CB 3.19Å; E249-K253 PolarHBondContact O-N 3.08Å; E250-K253 PolarHBondContact O-N 3.21Å; K253-N257 WeakPolarHBondContact CG-ND2 3.39Å; K253-N257 VanDerWaalsContact O-CB 3.32Å; K253-N257 WeakPolarHBondContact O-CB 3.07Å; K253-N257 PolarHBondContact O-N 3.01Å; K253-N257 VanDerWaalsContact O-N 3.13Å; K253-N257 PolarHBondContact O-ND2 3.31Å; K253-V264 HydrophobicContact CD-CG1 4.46Å; K253-V264 WeakPolarHBondContact CE-O 3.49Å; K253-V264 HydrophobicContact CG-CB 4.4Å; K253-V264 HydrophobicContact CG-CG1 4.09Å; K253-E265 PolarHBondContact NZ-O 3.17Å; K253-V267 HydrophobicContact CB-CG2 3.73Å; K253-V267 HydrophobicContact CG-CG2 4.36Å
254A93.1Very high91.4Very high52 Ų5258.8 Ų58.843%0.4332%0.324SS..Hα-helixtrans-66.2-53.3175.600000111.3E250 T251 I252 F256 N257 K258E250-A254 WeakPolarHBondContact O-CB 3.31Å; E250-A254 PolarHBondContact O-N 3.45Å; T251-A254 PolarHBondContact O-N 2.99Å; I252-A254 VanDerWaalsContact C-N 3.28Å; I252-A254 PolarHBondContact O-N 2.85Å; A254-F256 VanDerWaalsContact C-N 3.35Å; A254-F256 PolarHBondContact O-N 3.12Å; A254-N257 PolarHBondContact O-N 3.15Å; A254-N257 VanDerWaalsContact O-N 3.11Å; A254-K258 WeakPolarHBondContact O-CG 3.2Å; A254-K258 PolarHBondContact O-N 3.16Å
255E93.6Very high91.7Very high43 Ų4360.5 Ų60.520%0.20133%0.332CS..Hα-helixtrans-57.9-43-179.2-71-55.4148.700112.9T251 I252 K258 M291 I296T251-E255 WeakPolarHBondContact O-CG 3.45Å; T251-E255 PolarHBondContact O-N 3.02Å; I252-E255 PolarHBondContact O-N 3.38Å; E255-K258 WeakPolarHBondContact O-CB 3.34Å; E255-K258 PolarHBondContact O-N 2.91Å; E255-K258 WeakPolarHBondContact OE1-CE 3.26Å; E255-K258 IonicContact OE1-NZ 2.77Å; E255-K258 PolarHBondContact OE1-NZ 3.23Å; E255-K258 WeakPolarHBondContact OE2-CD 3.39Å; E255-K258 VanDerWaalsContact OE2-CE 3.31Å; E255-K258 WeakPolarHBondContact OE2-CE 3.15Å; E255-K258 IonicContact OE2-NZ 2.68Å; E255-K258 PolarHBondContact OE2-NZ 2.85Å; E255-M291 HydrophobicContact CB-CE 3.88Å; E255-I296 HydrophobicContact CB-CD1 3.98Å; E255-I296 HydrophobicContact CG-CD1 3.97Å; E255-I296 HydrophobicContact CG-CG1 4.21Å
256F93.6Very high92Very high0 Ų061.4 Ų61.40%033%0.33CS..Hα-helixtrans-73-27.9177.4-81.3-93.5000113.2L238 V240 I252 A254 V264 V276 F278 A287 M291 I301 V303L238-F256 HydrophobicContact CD1-CE1 3.99Å; V240-F256 HydrophobicContact CG1-CE2 4.39Å; V240-F256 HydrophobicContact CG1-CZ 4.36Å; V240-F256 HydrophobicContact CG2-CE1 4.37Å; V240-F256 HydrophobicContact CG2-CE2 3.94Å; V240-F256 HydrophobicContact CG2-CZ 3.52Å; I252-F256 HydrophobicContact CG2-CD2 3.81Å; I252-F256 HydrophobicContact CG2-CE2 4Å; I252-F256 WeakPolarHBondContact O-CD2 3.47Å; I252-F256 PolarHBondContact O-N 3.36Å; A254-F256 VanDerWaalsContact C-N 3.35Å; A254-F256 PolarHBondContact O-N 3.12Å; F256-V264 HydrophobicContact CB-CG2 3.64Å; F256-V276 HydrophobicContact CB-CG1 4.44Å; F256-V276 HydrophobicContact CD1-CG1 4.45Å; F256-V276 HydrophobicContact CD2-CG2 4.31Å; F256-V276 HydrophobicContact CE2-CG2 4.27Å; F256-V276 HydrophobicContact CG-CG1 4.31Å; F256-V276 HydrophobicContact CZ-CG2 4.5Å; F256-F278 AromaticContact CD1-CZ 3.97Å; F256-F278 HydrophobicContact CD1-CZ 3.97Å; F256-A287 HydrophobicContact CD1-CB 4.3Å; F256-M291 HydrophobicContact CD1-CB 4.23Å; F256-M291 HydrophobicContact CD1-CG 3.77Å; F256-M291 HydrophobicContact CD2-CE 4.19Å; F256-M291 HydrophobicContact CE1-CB 3.6Å; F256-M291 HydrophobicContact CE1-CG 3.68Å; F256-M291 HydrophobicContact CE2-CE 4.28Å; F256-M291 HydrophobicContact CG-CE 4.36Å; F256-M291 HydrophobicContact CG-CG 4.42Å; F256-M291 HydrophobicContact CZ-CB 3.85Å; F256-M291 HydrophobicContact CZ-CG 4.23Å; F256-I301 HydrophobicContact CE2-CD1 4.01Å; F256-I301 HydrophobicContact CZ-CD1 3.96Å; F256-V303 HydrophobicContact CE1-CG1 4.28Å; F256-V303 HydrophobicContact CE1-CG2 4.47Å; F256-V303 HydrophobicContact CZ-CG1 4.35Å; F256-V303 HydrophobicContact CZ-CG2 3.94Å
257N92.6Very high92.3Very high29 Ų2957.5 Ų57.516%0.15530%0.302CS..Hα-helixtrans-77.7-15.3171.9-81-61.9000113.8K253 A254 F259 K260 P261 G262 A263 V264K253-N257 WeakPolarHBondContact CG-ND2 3.39Å; K253-N257 VanDerWaalsContact O-CB 3.32Å; K253-N257 WeakPolarHBondContact O-CB 3.07Å; K253-N257 PolarHBondContact O-N 3.01Å; K253-N257 VanDerWaalsContact O-N 3.13Å; K253-N257 PolarHBondContact O-ND2 3.31Å; A254-N257 PolarHBondContact O-N 3.15Å; A254-N257 VanDerWaalsContact O-N 3.11Å; N257-F259 PolarHBondContact O-N 2.99Å; N257-K260 CarbonylContact O-C 3.53Å; N257-K260 PolarHBondContact O-N 3.46Å; N257-K260 PolarHBondContact OD1-O 3.22Å; N257-P261 WeakPolarHBondContact O-CA 3.39Å; N257-P261 VanDerWaalsContact O-N 3.14Å; N257-G262 PolarHBondContact OD1-N 2.88Å; N257-A263 PolarHBondContact OD1-N 2.84Å; N257-V264 PolarHBondContact OD1-N 2.85Å
258K88.4Confident92.5Very high138 Ų13862.7 Ų62.760%0.633%0.325SS*.THydrogen-bonded Turntrans-62-28.5173.4-70.6-178.6-1701690112.8A254 E255A254-K258 WeakPolarHBondContact O-CG 3.2Å; A254-K258 PolarHBondContact O-N 3.16Å; E255-K258 WeakPolarHBondContact O-CB 3.34Å; E255-K258 PolarHBondContact O-N 2.91Å; E255-K258 WeakPolarHBondContact OE1-CE 3.26Å; E255-K258 IonicContact OE1-NZ 2.77Å; E255-K258 PolarHBondContact OE1-NZ 3.23Å; E255-K258 WeakPolarHBondContact OE2-CD 3.39Å; E255-K258 VanDerWaalsContact OE2-CE 3.31Å; E255-K258 WeakPolarHBondContact OE2-CE 3.15Å; E255-K258 IonicContact OE2-NZ 2.68Å; E255-K258 PolarHBondContact OE2-NZ 2.85Å
259F85.1Confident92.4Very high87 Ų8761.2 Ų61.238%0.38231%0.313SS..THydrogen-bonded Turntrans-71.1-47.4174.8172.3-108.3000111.6N257 A286 A287 V290N257-F259 PolarHBondContact O-N 2.99Å; F259-A286 HydrophobicContact CE1-CB 3.68Å; F259-A286 HydrophobicContact CZ-CB 3.74Å; F259-A287 HydrophobicContact CD1-CB 4.3Å; F259-V290 HydrophobicContact CD2-CB 4.25Å; F259-V290 HydrophobicContact CD2-CG1 3.95Å; F259-V290 HydrophobicContact CD2-CG2 4.1Å; F259-V290 HydrophobicContact CE2-CG2 3.88Å
260K87Confident92.2Very high87 Ų8761.6 Ų61.638%0.37832%0.317SS..SBendtrans-148109.4177.4-175.5-178.5-179.4-170.40109.4N257 G262 A263 D283N257-K260 CarbonylContact O-C 3.53Å; N257-K260 PolarHBondContact O-N 3.46Å; N257-K260 PolarHBondContact OD1-O 3.22Å; K260-G262 PolarHBondContact O-N 3.47Å; K260-A263 HydrophobicContact CB-CB 3.95Å; K260-A263 HydrophobicContact CD-CB 4.09Å; K260-A263 HydrophobicContact CG-CB 4.11Å; K260-A263 VanDerWaalsContact O-CB 3.29Å; K260-A263 WeakPolarHBondContact O-CB 3.43Å; K260-A263 PolarHBondContact O-N 2.82Å; K260-D283 VanDerWaalsContact CD-OD1 3.23Å; K260-D283 WeakPolarHBondContact CD-OD1 3.48Å; K260-D283 IonicContact NZ-OD1 3.52Å; K260-D283 PolarHBondContact NZ-OD1 2.99Å; K260-D283 IonicContact NZ-OD2 2.69Å; K260-D283 PolarHBondContact NZ-OD2 2.97Å
261P88.5Confident91.9Very high118 Ų11863.4 Ų63.477%0.76632%0.318SS*.THydrogen-bonded Turntrans-58.6129.8-179.7-27.235.7000112N257 A263N257-P261 WeakPolarHBondContact O-CA 3.39Å; N257-P261 VanDerWaalsContact O-N 3.14Å; P261-A263 VanDerWaalsContact C-N 3.34Å
262G87.7Confident91.5Very high55 Ų5562 Ų6257%0.56731%0.309SS*.THydrogen-bonded Turntrans82.22178.800000115.3N257 K260 V264 F279N257-G262 PolarHBondContact OD1-N 2.88Å; K260-G262 PolarHBondContact O-N 3.47Å; G262-V264 VanDerWaalsContact C-N 3.34Å; G262-F279 WeakPolarHBondContact O-CE2 3.41Å
263A90.8Very high91.4Very high4 Ų465.2 Ų65.23%0.03332%0.322CS..  trans-70.2-29.917800000113.3N257 K260 P261 F278 F279 D283N257-A263 PolarHBondContact OD1-N 2.84Å; K260-A263 HydrophobicContact CB-CB 3.95Å; K260-A263 HydrophobicContact CD-CB 4.09Å; K260-A263 HydrophobicContact CG-CB 4.11Å; K260-A263 VanDerWaalsContact O-CB 3.29Å; K260-A263 WeakPolarHBondContact O-CB 3.43Å; K260-A263 PolarHBondContact O-N 2.82Å; P261-A263 VanDerWaalsContact C-N 3.34Å; A263-F278 HydrophobicContact CB-CD1 4.03Å; A263-F278 HydrophobicContact CB-CE1 4.12Å; A263-F278 WeakPolarHBondContact O-CD1 3.16Å; A263-F279 PolarHBondContact O-N 2.81Å; A263-D283 HydrophobicContact CB-CB 4.24Å
264V94.4Very high91.5Very high4 Ų461.3 Ų61.32%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-88.6112.1-178.7-1770000110.8K253 F256 N257 G262 V267 V276 F278K253-V264 HydrophobicContact CD-CG1 4.46Å; K253-V264 WeakPolarHBondContact CE-O 3.49Å; K253-V264 HydrophobicContact CG-CB 4.4Å; K253-V264 HydrophobicContact CG-CG1 4.09Å; F256-V264 HydrophobicContact CB-CG2 3.64Å; N257-V264 PolarHBondContact OD1-N 2.85Å; G262-V264 VanDerWaalsContact C-N 3.34Å; V264-V267 HydrophobicContact CG1-CG2 4.01Å; V264-V276 HydrophobicContact CB-CG1 4.47Å; V264-V276 HydrophobicContact CG1-CG1 3.65Å; V264-V276 HydrophobicContact CG2-CG1 4.02Å; V264-F278 HydrophobicContact CG2-CE1 3.92Å; V264-F278 HydrophobicContact CG2-CZ 4.01Å
265E94.3Very high91.7Very high85 Ų8561.7 Ų61.740%0.39730%0.297SS..EExtended strand (participates in β ladder)trans-63.3-63.4171.5-178.9-163.9152.400109.7K253 H277 F279K253-E265 PolarHBondContact NZ-O 3.17Å; E265-H277 HydrophobicContact CB-CB 4.31Å; E265-H277 WeakPolarHBondContact CB-O 3.35Å; E265-H277 PolarHBondContact N-O 2.86Å; E265-F279 HydrophobicContact CB-CD1 4.19Å; E265-F279 HydrophobicContact CB-CD2 4.2Å; E265-F279 HydrophobicContact CB-CE1 3.86Å; E265-F279 HydrophobicContact CB-CE2 3.88Å; E265-F279 HydrophobicContact CB-CG 4.36Å; E265-F279 HydrophobicContact CB-CZ 3.7Å; E265-F279 HydrophobicContact CG-CD1 4.31Å; E265-F279 HydrophobicContact CG-CE1 3.72Å; E265-F279 HydrophobicContact CG-CZ 3.84Å
266R93.9Very high91.8Very high102 Ų10259.7 Ų59.739%0.38529%0.287SS..EExtended strand (participates in β ladder)trans-150.9143.9-171.5-175.9176.452.759.78.4111.5H277R266-H277 HydrophobicContact CB-CB 4.46Å; R266-H277 PolarHBondContact N-O 3.21Å; R266-H277 PolarHBondContact NH1-CD2 3.33Å; R266-H277 VanDerWaalsContact NH1-CD2 3.34Å; R266-H277 PolarHBondContact NH1-NE2 2.68Å; R266-H277 PolarHBondContact NH2-CD2 2.93Å; R266-H277 PolarHBondContact NH2-CE1 2.83Å; R266-H277 PolarHBondContact NH2-ND1 3Å; R266-H277 PolarHBondContact NH2-NE2 2.87Å; R266-H277 WeakPolarHBondContact O-CB 3.4Å; R266-H277 PolarHBondContact O-N 3.03Å
267V96.3Very high91.9Very high9 Ų961.6 Ų61.66%0.05530%0.296CS..EExtended strand (participates in β ladder)trans-102.4150166.1179.70000108.5E249 I252 K253 V264 A274 F275 V276E249-V267 HydrophobicContact CB-CB 4.35Å; E249-V267 HydrophobicContact CB-CG1 4.19Å; E249-V267 HydrophobicContact CG-CG1 4.23Å; I252-V267 HydrophobicContact CB-CG1 4.14Å; I252-V267 HydrophobicContact CB-CG2 4.5Å; I252-V267 HydrophobicContact CD1-CG1 4.38Å; I252-V267 HydrophobicContact CG2-CG1 3.88Å; I252-V267 HydrophobicContact CG2-CG2 4.06Å; K253-V267 HydrophobicContact CB-CG2 3.73Å; K253-V267 HydrophobicContact CG-CG2 4.36Å; V264-V267 HydrophobicContact CG1-CG2 4.01Å; V267-A274 HydrophobicContact CG1-CB 4.23Å; V267-F275 CarbonylContact C-O 3.5Å; V267-F275 WeakPolarHBondContact CA-O 3.33Å; V267-V276 HydrophobicContact CG2-CG1 4.33Å; V267-V276 HydrophobicContact CG2-CG2 4.32Å
268K95.6Very high92Very high112 Ų11260.3 Ų60.349%0.48729%0.289SS..EExtended strand (participates in β ladder)trans-135.6103.5162.7-179.9175.6-178.8175.30108.6E249 L270 A274 F275E249-K268 WeakPolarHBondContact OE1-CA 3.34Å; K268-L270 HydrophobicContact CG-CD1 4.27Å; K268-A274 CarbonylContact O-C 3.47Å; K268-A274 VanDerWaalsContact O-CA 3.27Å; K268-A274 WeakPolarHBondContact O-CA 3.07Å; K268-F275 PolarHBondContact N-O 3.12Å; K268-F275 PolarHBondContact O-N 3.46Å
269K93Very high92.2Very high29 Ų2959 Ų5913%0.12628%0.284CS..EExtended strand (participates in β ladder)trans-85.9150.4173.3-170.8175.7-177.1-1020109.7M244 I245 T247 E249 I252 R271 A274M244-K269 WeakPolarHBondContact O-CE 3.25Å; M244-K269 PolarHBondContact O-NZ 2.95Å; M244-K269 VanDerWaalsContact O-NZ 3.1Å; I245-K269 PolarHBondContact O-NZ 2.82Å; T247-K269 WeakPolarHBondContact O-CD 3.21Å; T247-K269 WeakPolarHBondContact O-CE 3.36Å; T247-K269 PolarHBondContact O-NZ 3.02Å; E249-K269 HydrophobicContact CG-CB 3.58Å; E249-K269 PolarHBondContact OE1-N 2.92Å; I252-K269 HydrophobicContact CD1-CB 4.39Å; I252-K269 HydrophobicContact CD1-CD 3.84Å; I252-K269 HydrophobicContact CD1-CG 4.28Å; K269-R271 WeakPolarHBondContact CE-O 3.18Å; K269-R271 PolarHBondContact NZ-O 3.31Å; K269-A274 HydrophobicContact CB-CB 4.04Å; K269-A274 HydrophobicContact CG-CB 4.23Å
270L90.3Very high92.6Very high83 Ų8358.2 Ų58.244%0.43528%0.283SS..  trans-116.9-112.5165.7-70.186.8000107.8K268 Y273 F275K268-L270 HydrophobicContact CG-CD1 4.27Å; L270-Y273 HydrophobicContact CB-CE2 4.19Å; L270-Y273 HydrophobicContact CD1-CD2 4.43Å; L270-Y273 HydrophobicContact CD1-CE2 3.85Å; L270-Y273 HydrophobicContact CD2-CE2 4.35Å; L270-Y273 HydrophobicContact CG-CE2 4.35Å; L270-Y273 PolarHBondContact N-O 2.96Å; L270-F275 HydrophobicContact CD1-CD2 4.29Å; L270-F275 HydrophobicContact CD1-CE2 4.34Å
271R87.3Confident92.9Very high167 Ų16756.7 Ų56.763%0.6328%0.275SS*.SBendtrans-85.6-84.4178.2179-178.6-87.3-164.8-7.4111.1I245 K269I245-R271 HydrophobicContact CG1-CG 4.23Å; K269-R271 WeakPolarHBondContact CE-O 3.18Å; K269-R271 PolarHBondContact NZ-O 3.31Å
272D87.2Confident93.2Very high15 Ų1557.1 Ų57.18%0.0827%0.267CS..SBendtrans-110.111.1-172.557.3-63.1000112.6A177 R184 N242 L243A177-D272 HydrophobicContact CB-CB 3.94Å; R184-D272 IonicContact CZ-OD2 3.46Å; R184-D272 VanDerWaalsContact CZ-OD2 3.29Å; R184-D272 IonicContact NH1-OD1 2.71Å; R184-D272 IonicContact NH1-OD2 3.5Å; R184-D272 PolarHBondContact NH1-OD2 3.42Å; R184-D272 IonicContact NH2-OD2 2.66Å; R184-D272 PolarHBondContact NH2-OD2 3.44Å; N242-D272 PolarHBondContact N-O 2.91Å; N242-D272 VanDerWaalsContact N-O 3.16Å; L243-D272 PolarHBondContact N-O 3.12Å
273Y93.3Very high93.5Very high68 Ų6855.3 Ų55.327%0.26724%0.244SC..  trans-145.8161.1177.267.4-93.3000111.2Y239 V240 L270 F275Y239-Y273 HydrophobicContact CD2-CD2 4.27Å; Y239-Y273 AromaticContact CE2-CD2 3.5Å; Y239-Y273 HydrophobicContact CE2-CD2 3.5Å; Y239-Y273 HydrophobicContact CE2-CE2 4.17Å; Y239-Y273 AromaticContact CE2-CG 3.8Å; Y239-Y273 HydrophobicContact CE2-CG 3.8Å; V240-Y273 CarbonylContact O-C 3.59Å; V240-Y273 WeakPolarHBondContact O-CA 3.47Å; V240-Y273 VanDerWaalsContact O-CB 3.27Å; V240-Y273 WeakPolarHBondContact O-CB 3.36Å; L270-Y273 HydrophobicContact CB-CE2 4.19Å; L270-Y273 HydrophobicContact CD1-CD2 4.43Å; L270-Y273 HydrophobicContact CD1-CE2 3.85Å; L270-Y273 HydrophobicContact CD2-CE2 4.35Å; L270-Y273 HydrophobicContact CG-CE2 4.35Å; L270-Y273 PolarHBondContact N-O 2.96Å; Y273-F275 HydrophobicContact CD2-CE2 4.24Å; Y273-F275 AromaticContact CE2-CE2 3.84Å; Y273-F275 HydrophobicContact CE2-CE2 3.84Å; Y273-F275 HydrophobicContact CE2-CZ 4.32Å
274A95.6Very high93.6Very high0 Ų055.1 Ų55.10%024%0.243CC..EExtended strand (participates in β ladder)trans-143.5158.5178.600000111.9V240 L243 I252 V267 K268 K269V240-A274 PolarHBondContact N-O 3.04Å; V240-A274 PolarHBondContact O-N 3.12Å; L243-A274 HydrophobicContact CD1-CB 3.69Å; I252-A274 HydrophobicContact CD1-CB 3.88Å; V267-A274 HydrophobicContact CG1-CB 4.23Å; K268-A274 CarbonylContact O-C 3.47Å; K268-A274 VanDerWaalsContact O-CA 3.27Å; K268-A274 WeakPolarHBondContact O-CA 3.07Å; K269-A274 HydrophobicContact CB-CB 4.04Å; K269-A274 HydrophobicContact CG-CB 4.23Å
275F96.6Very high93.6Very high61 Ų6157.3 Ų57.327%0.26826%0.256SS..EExtended strand (participates in β ladder)trans-108.4122.5168.2-64.6-78.8000109.6V237 L238 Y239 V267 K268 L270 Y273 A306V237-F275 HydrophobicContact CG1-CB 3.99Å; V237-F275 HydrophobicContact CG1-CD1 4.2Å; L238-F275 CarbonylContact O-C 3.43Å; L238-F275 VanDerWaalsContact O-CA 3.32Å; L238-F275 WeakPolarHBondContact O-CA 3.16Å; Y239-F275 HydrophobicContact CD2-CD1 4.16Å; Y239-F275 AromaticContact CD2-CE1 3.59Å; Y239-F275 HydrophobicContact CD2-CE1 3.59Å; Y239-F275 AromaticContact CD2-CZ 3.9Å; Y239-F275 HydrophobicContact CD2-CZ 3.9Å; Y239-F275 HydrophobicContact CE2-CE1 4.42Å; Y239-F275 HydrophobicContact CE2-CZ 4.3Å; Y239-F275 HydrophobicContact CG-CE1 4.35Å; V267-F275 CarbonylContact C-O 3.5Å; V267-F275 WeakPolarHBondContact CA-O 3.33Å; K268-F275 PolarHBondContact N-O 3.12Å; K268-F275 PolarHBondContact O-N 3.46Å; L270-F275 HydrophobicContact CD1-CD2 4.29Å; L270-F275 HydrophobicContact CD1-CE2 4.34Å; Y273-F275 HydrophobicContact CD2-CE2 4.24Å; Y273-F275 AromaticContact CE2-CE2 3.84Å; Y273-F275 HydrophobicContact CE2-CE2 3.84Å; Y273-F275 HydrophobicContact CE2-CZ 4.32Å; F275-A306 HydrophobicContact CD1-CB 3.9Å; F275-A306 HydrophobicContact CE1-CB 4Å
276V96.2Very high93.5Very high0 Ų054.9 Ų54.90%025%0.251CS..EExtended strand (participates in β ladder)trans-106.7113.8178.4-173.70000108.3V237 L238 V240 I252 F256 V264 V267 F278V237-V276 CarbonylContact C-O 3.56Å; V237-V276 WeakPolarHBondContact CA-O 3.1Å; L238-V276 HydrophobicContact CB-CB 4.4Å; L238-V276 PolarHBondContact N-O 3.46Å; L238-V276 PolarHBondContact O-N 2.86Å; V240-V276 HydrophobicContact CG2-CG2 3.7Å; I252-V276 HydrophobicContact CG2-CG2 3.84Å; F256-V276 HydrophobicContact CB-CG1 4.44Å; F256-V276 HydrophobicContact CD1-CG1 4.45Å; F256-V276 HydrophobicContact CD2-CG2 4.31Å; F256-V276 HydrophobicContact CE2-CG2 4.27Å; F256-V276 HydrophobicContact CG-CG1 4.31Å; F256-V276 HydrophobicContact CZ-CG2 4.5Å; V264-V276 HydrophobicContact CB-CG1 4.47Å; V264-V276 HydrophobicContact CG1-CG1 3.65Å; V264-V276 HydrophobicContact CG2-CG1 4.02Å; V267-V276 HydrophobicContact CG2-CG1 4.33Å; V267-V276 HydrophobicContact CG2-CG2 4.32Å; V276-F278 HydrophobicContact CB-CE2 4.06Å; V276-F278 HydrophobicContact CG1-CD2 4.15Å; V276-F278 HydrophobicContact CG1-CE2 3.46Å; V276-F278 VanDerWaalsContact CG1-CE2 3.46Å; V276-F278 HydrophobicContact CG1-CZ 3.95Å
277H95.4Very high93.5Very high40 Ų4050 Ų5019%0.18523%0.232CC..EExtended strand (participates in β ladder)trans-90.8129.3179.3-65-103.7000110.1V237 E265 R266V237-H277 WeakPolarHBondContact CG2-ND1 3.42Å; E265-H277 HydrophobicContact CB-CB 4.31Å; E265-H277 WeakPolarHBondContact CB-O 3.35Å; E265-H277 PolarHBondContact N-O 2.86Å; R266-H277 HydrophobicContact CB-CB 4.46Å; R266-H277 PolarHBondContact N-O 3.21Å; R266-H277 PolarHBondContact NH1-CD2 3.33Å; R266-H277 VanDerWaalsContact NH1-CD2 3.34Å; R266-H277 PolarHBondContact NH1-NE2 2.68Å; R266-H277 PolarHBondContact NH2-CD2 2.93Å; R266-H277 PolarHBondContact NH2-CE1 2.83Å; R266-H277 PolarHBondContact NH2-ND1 3Å; R266-H277 PolarHBondContact NH2-NE2 2.87Å; R266-H277 WeakPolarHBondContact O-CB 3.4Å; R266-H277 PolarHBondContact O-N 3.03Å
278F95.4Very high93.4Very high3 Ų351.6 Ų51.61%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-112.3148.6174.8-70.5-101.1000110.9K236 L238 F256 A263 V264 V276 N280 D283 A284 A287K236-F278 WeakPolarHBondContact CB-O 3.46Å; K236-F278 PolarHBondContact O-N 2.81Å; L238-F278 HydrophobicContact CB-CE2 4.49Å; L238-F278 HydrophobicContact CD1-CD2 4.36Å; L238-F278 HydrophobicContact CD1-CE2 3.49Å; L238-F278 VanDerWaalsContact CD1-CE2 3.49Å; L238-F278 HydrophobicContact CD1-CZ 4Å; L238-F278 HydrophobicContact CG-CD2 4.21Å; L238-F278 HydrophobicContact CG-CE2 3.75Å; F256-F278 AromaticContact CD1-CZ 3.97Å; F256-F278 HydrophobicContact CD1-CZ 3.97Å; A263-F278 HydrophobicContact CB-CD1 4.03Å; A263-F278 HydrophobicContact CB-CE1 4.12Å; A263-F278 WeakPolarHBondContact O-CD1 3.16Å; V264-F278 HydrophobicContact CG2-CE1 3.92Å; V264-F278 HydrophobicContact CG2-CZ 4.01Å; V276-F278 HydrophobicContact CB-CE2 4.06Å; V276-F278 HydrophobicContact CG1-CD2 4.15Å; V276-F278 HydrophobicContact CG1-CE2 3.46Å; V276-F278 VanDerWaalsContact CG1-CE2 3.46Å; V276-F278 HydrophobicContact CG1-CZ 3.95Å; F278-N280 VanDerWaalsContact C-N 3.29Å; F278-N280 WeakPolarHBondContact CB-O 3.43Å; F278-N280 PolarHBondContact O-N 2.83Å; F278-D283 HydrophobicContact CD1-CB 3.96Å; F278-A284 HydrophobicContact CB-CB 3.96Å; F278-A284 HydrophobicContact CD2-CB 3.67Å; F278-A284 HydrophobicContact CE2-CB 4.32Å; F278-A284 HydrophobicContact CG-CB 3.79Å; F278-A287 HydrophobicContact CE1-CB 3.77Å; F278-A287 HydrophobicContact CE2-CB 4.48Å; F278-A287 HydrophobicContact CZ-CB 3.53Å
279F92.9Very high93.3Very high110 Ų11050.6 Ų50.648%0.48225%0.247SC..SBendtrans-64.6-35.2173.1-65.3-73.5000112.5K236 G262 A263 E265K236-F279 WeakPolarHBondContact CD-O 3.02Å; K236-F279 WeakPolarHBondContact CE-O 3.48Å; K236-F279 PolarHBondContact NZ-O 3.32Å; G262-F279 WeakPolarHBondContact O-CE2 3.41Å; A263-F279 PolarHBondContact O-N 2.81Å; E265-F279 HydrophobicContact CB-CD1 4.19Å; E265-F279 HydrophobicContact CB-CD2 4.2Å; E265-F279 HydrophobicContact CB-CE1 3.86Å; E265-F279 HydrophobicContact CB-CE2 3.88Å; E265-F279 HydrophobicContact CB-CG 4.36Å; E265-F279 HydrophobicContact CB-CZ 3.7Å; E265-F279 HydrophobicContact CG-CD1 4.31Å; E265-F279 HydrophobicContact CG-CE1 3.72Å; E265-F279 HydrophobicContact CG-CZ 3.84Å
280N93.8Very high93.2Very high70 Ų7052.3 Ų52.337%0.37426%0.26SS..  trans-121.5151.5-175.5-54.4-47.5000110.9F278 D283 A284F278-N280 VanDerWaalsContact C-N 3.29Å; F278-N280 WeakPolarHBondContact CB-O 3.43Å; F278-N280 PolarHBondContact O-N 2.83Å; N280-D283 HydrophobicContact CB-CB 4.21Å; N280-D283 PolarHBondContact ND2-OD2 3.26Å; N280-A284 PolarHBondContact O-N 2.87Å
281R92.9Very high93.4Very high55 Ų5548.4 Ų48.421%0.20824%0.239CC..Hα-helixtrans-74-38.4176.9170.3175.7-179.684.3-5.6110.9M232 Q233 V235 K236 D283 A284 V285M232-R281 PolarHBondContact O-NH1 3.05Å; M232-R281 PolarHBondContact O-NH2 3.45Å; Q233-R281 WeakPolarHBondContact O-CD 3.4Å; Q233-R281 VanDerWaalsContact O-CZ 3.29Å; Q233-R281 PolarHBondContact O-NE 3.41Å; Q233-R281 PolarHBondContact O-NH1 3.08Å; V235-R281 PolarHBondContact O-NH1 3.45Å; K236-R281 HydrophobicContact CG-CB 4.3Å; R281-D283 VanDerWaalsContact C-N 3.28Å; R281-D283 PolarHBondContact O-N 2.88Å; R281-A284 CarbonylContact O-C 3.1Å; R281-A284 WeakPolarHBondContact O-CA 3.48Å; R281-A284 WeakPolarHBondContact O-CB 3.47Å; R281-A284 PolarHBondContact O-N 2.9Å; R281-V285 HydrophobicContact CG-CG2 4.06Å; R281-V285 WeakPolarHBondContact O-CG2 3.31Å; R281-V285 PolarHBondContact O-N 2.98Å
282E93.6Very high93.7Very high127 Ų12744.6 Ų44.659%0.59323%0.231SC*.Hα-helixtrans-60.8-44.5-175.9-59.962.5-134.400109V285 A286E282-V285 PolarHBondContact O-N 3.28Å; E282-A286 VanDerWaalsContact O-CB 3.28Å; E282-A286 WeakPolarHBondContact O-CB 3.4Å; E282-A286 PolarHBondContact O-N 3.26Å
283D94.3Very high93.8Very high17 Ų1746.1 Ų46.19%0.09125%0.251CS..Hα-helixtrans-64.4-39.1174-68.1-30.2000112.2K260 A263 F278 N280 R281 A287K260-D283 VanDerWaalsContact CD-OD1 3.23Å; K260-D283 WeakPolarHBondContact CD-OD1 3.48Å; K260-D283 IonicContact NZ-OD1 3.52Å; K260-D283 PolarHBondContact NZ-OD1 2.99Å; K260-D283 IonicContact NZ-OD2 2.69Å; K260-D283 PolarHBondContact NZ-OD2 2.97Å; A263-D283 HydrophobicContact CB-CB 4.24Å; F278-D283 HydrophobicContact CD1-CB 3.96Å; N280-D283 HydrophobicContact CB-CB 4.21Å; N280-D283 PolarHBondContact ND2-OD2 3.26Å; R281-D283 VanDerWaalsContact C-N 3.28Å; R281-D283 PolarHBondContact O-N 2.88Å; D283-A287 WeakPolarHBondContact O-CB 3.49Å; D283-A287 PolarHBondContact O-N 3.44Å
284A93.1Very high93.8Very high0 Ų046.9 Ų46.90%026%0.255CS..Hα-helixtrans-66.6-45.1175.700000112.3L238 F278 N280 R281 A287 M288L238-A284 WeakPolarHBondContact CD1-O 3.37Å; L238-A284 HydrophobicContact CD2-CB 4.07Å; L238-A284 HydrophobicContact CG-CB 4.25Å; F278-A284 HydrophobicContact CB-CB 3.96Å; F278-A284 HydrophobicContact CD2-CB 3.67Å; F278-A284 HydrophobicContact CE2-CB 4.32Å; F278-A284 HydrophobicContact CG-CB 3.79Å; N280-A284 PolarHBondContact O-N 2.87Å; R281-A284 CarbonylContact O-C 3.1Å; R281-A284 WeakPolarHBondContact O-CA 3.48Å; R281-A284 WeakPolarHBondContact O-CB 3.47Å; R281-A284 PolarHBondContact O-N 2.9Å; A284-A287 PolarHBondContact O-N 3.24Å; A284-M288 VanDerWaalsContact O-CB 3.3Å; A284-M288 WeakPolarHBondContact O-CB 3.08Å; A284-M288 PolarHBondContact O-N 3.15Å
285V93.8Very high93.6Very high50 Ų5051 Ų5130%0.30328%0.283SS..Hα-helixtrans-67.6-40.8179.7173.70000110.9R281 E282 M288 S289R281-V285 HydrophobicContact CG-CG2 4.06Å; R281-V285 WeakPolarHBondContact O-CG2 3.31Å; R281-V285 PolarHBondContact O-N 2.98Å; E282-V285 PolarHBondContact O-N 3.28Å; V285-M288 PolarHBondContact O-N 2.99Å; V285-S289 PolarHBondContact O-N 3.23Å; V285-S289 PolarHBondContact O-OG 3.34Å
286A93.8Very high93.3Very high34 Ų3448.4 Ų48.428%0.28127%0.272SS..Hα-helixtrans-64.4-46.517400000111.8F259 E282 M288 S289 V290F259-A286 HydrophobicContact CE1-CB 3.68Å; F259-A286 HydrophobicContact CZ-CB 3.74Å; E282-A286 VanDerWaalsContact O-CB 3.28Å; E282-A286 WeakPolarHBondContact O-CB 3.4Å; E282-A286 PolarHBondContact O-N 3.26Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 2.7Å; A286-S289 PolarHBondContact O-N 2.78Å; A286-V290 WeakPolarHBondContact O-CG2 3.42Å; A286-V290 PolarHBondContact O-N 3.23Å; A286-V290 VanDerWaalsContact O-N 3.14Å
287A93.9Very high92.8Very high0 Ų052.3 Ų52.30%029%0.293CS..Hα-helixtrans-63.8-36.6176.600000112.5L238 F256 F259 F278 D283 A284 V290 M291L238-A287 HydrophobicContact CD1-CB 4.27Å; F256-A287 HydrophobicContact CD1-CB 4.3Å; F259-A287 HydrophobicContact CD1-CB 4.3Å; F278-A287 HydrophobicContact CE1-CB 3.77Å; F278-A287 HydrophobicContact CE2-CB 4.48Å; F278-A287 HydrophobicContact CZ-CB 3.53Å; D283-A287 WeakPolarHBondContact O-CB 3.49Å; D283-A287 PolarHBondContact O-N 3.44Å; A284-A287 PolarHBondContact O-N 3.24Å; A287-V290 PolarHBondContact O-N 3.27Å; A287-M291 WeakPolarHBondContact O-CB 3.45Å; A287-M291 WeakPolarHBondContact O-CG 3.16Å; A287-M291 PolarHBondContact O-N 3.3Å
288M94.1Very high92.3Very high42 Ų4254 Ų5421%0.20732%0.322CS..Hα-helixtrans-57.1-52.7173.6-178.9178.571.500110.9L238 A284 V285 A286 V290 M291 N292 V303 L305L238-M288 HydrophobicContact CD1-CB 4.1Å; L238-M288 HydrophobicContact CD2-CB 3.93Å; L238-M288 HydrophobicContact CD2-CG 4.43Å; L238-M288 HydrophobicContact CD2-SD 4.42Å; A284-M288 VanDerWaalsContact O-CB 3.3Å; A284-M288 WeakPolarHBondContact O-CB 3.08Å; A284-M288 PolarHBondContact O-N 3.15Å; V285-M288 PolarHBondContact O-N 2.99Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 2.7Å; M288-V290 VanDerWaalsContact C-N 3.28Å; M288-V290 PolarHBondContact O-N 3.48Å; M288-M291 PolarHBondContact O-N 2.81Å; M288-N292 WeakPolarHBondContact O-CB 3.46Å; M288-N292 PolarHBondContact O-N 2.87Å; M288-V303 HydrophobicContact CB-CG1 4.24Å; M288-V303 HydrophobicContact CG-CB 4.44Å; M288-V303 HydrophobicContact CG-CG1 4.08Å; M288-V303 WeakPolarHBondContact CG-O 3.33Å; M288-L305 HydrophobicContact SD-CG 4.09Å
289S92Very high91.9Very high92 Ų9254 Ų5464%0.64332%0.322SS*.Hα-helixtrans-62.7-31-179.5-57.40000113.7V285 A286V285-S289 PolarHBondContact O-N 3.23Å; V285-S289 PolarHBondContact O-OG 3.34Å; A286-S289 PolarHBondContact O-N 2.78Å
290V92.6Very high91.8Very high65 Ų6551.7 Ų51.739%0.39432%0.319SS..Hα-helixtrans-90.1-27.7-177.7173.10000113.5F259 A286 A287 M288 K294F259-V290 HydrophobicContact CD2-CB 4.25Å; F259-V290 HydrophobicContact CD2-CG1 3.95Å; F259-V290 HydrophobicContact CD2-CG2 4.1Å; F259-V290 HydrophobicContact CE2-CG2 3.88Å; A286-V290 WeakPolarHBondContact O-CG2 3.42Å; A286-V290 PolarHBondContact O-N 3.23Å; A286-V290 VanDerWaalsContact O-N 3.14Å; A287-V290 PolarHBondContact O-N 3.27Å; M288-V290 VanDerWaalsContact C-N 3.28Å; M288-V290 PolarHBondContact O-N 3.48Å; V290-K294 WeakPolarHBondContact O-CE 3.22Å
291M92.9Very high91.7Very high0 Ų048.3 Ų48.30%030%0.301CS..Hα-helixtrans-101.1-18.4-175.5-60.7-63-66.200113.3E255 F256 A287 M288 G293 K294 I301 V303E255-M291 HydrophobicContact CB-CE 3.88Å; F256-M291 HydrophobicContact CD1-CB 4.23Å; F256-M291 HydrophobicContact CD1-CG 3.77Å; F256-M291 HydrophobicContact CD2-CE 4.19Å; F256-M291 HydrophobicContact CE1-CB 3.6Å; F256-M291 HydrophobicContact CE1-CG 3.68Å; F256-M291 HydrophobicContact CE2-CE 4.28Å; F256-M291 HydrophobicContact CG-CE 4.36Å; F256-M291 HydrophobicContact CG-CG 4.42Å; F256-M291 HydrophobicContact CZ-CB 3.85Å; F256-M291 HydrophobicContact CZ-CG 4.23Å; A287-M291 WeakPolarHBondContact O-CB 3.45Å; A287-M291 WeakPolarHBondContact O-CG 3.16Å; A287-M291 PolarHBondContact O-N 3.3Å; M288-M291 PolarHBondContact O-N 2.81Å; M291-G293 PolarHBondContact O-N 2.79Å; M291-K294 HydrophobicContact CE-CD 3.94Å; M291-K294 PolarHBondContact O-N 3.23Å; M291-K294 VanDerWaalsContact O-N 3.17Å; M291-K294 HydrophobicContact SD-CD 3.69Å; M291-K294 PolarHBondContact SD-NZ 3.42Å; M291-K294 VanDerWaalsContact SD-NZ 3.36Å; M291-I301 HydrophobicContact CB-CD1 4.49Å; M291-V303 HydrophobicContact CB-CG2 4.25Å
292N93.7Very high91.7Very high88 Ų8849 Ų4947%0.47131%0.307SS..THydrogen-bonded Turntrans-61.8125.9174.5-169.439.1000110.8M288 E302 V303M288-N292 WeakPolarHBondContact O-CB 3.46Å; M288-N292 PolarHBondContact O-N 2.87Å; N292-E302 WeakPolarHBondContact OD1-CA 3.03Å; N292-V303 HydrophobicContact CB-CB 4.13Å; N292-V303 HydrophobicContact CB-CG2 4.5Å; N292-V303 PolarHBondContact OD1-N 3.38Å
293G90.3Very high91.8Very high47 Ų4743 Ų4349%0.48528%0.279SS..THydrogen-bonded Turntrans85-6.5-176.800000115.7M291 I301M291-G293 PolarHBondContact O-N 2.79Å; G293-I301 VanDerWaalsContact CA-O 3.31Å; G293-I301 WeakPolarHBondContact CA-O 3.37Å; G293-I301 PolarHBondContact N-O 2.77Å
294K92.1Very high91.7Very high83 Ų8345.4 Ų45.436%0.36129%0.294SS..  trans-66.6151.3176.5-86.5-165-176.6174.20112.2V290 M291 S300 I301V290-K294 WeakPolarHBondContact O-CE 3.22Å; M291-K294 HydrophobicContact CE-CD 3.94Å; M291-K294 PolarHBondContact O-N 3.23Å; M291-K294 VanDerWaalsContact O-N 3.17Å; M291-K294 HydrophobicContact SD-CD 3.69Å; M291-K294 PolarHBondContact SD-NZ 3.42Å; M291-K294 VanDerWaalsContact SD-NZ 3.36Å; K294-S300 CarbonylContact O-C 3.55Å; K294-S300 WeakPolarHBondContact O-CA 3.3Å; K294-I301 HydrophobicContact CB-CG1 4.46Å; K294-I301 VanDerWaalsContact O-CG1 3.24Å; K294-I301 WeakPolarHBondContact O-CG1 3.32Å; K294-I301 PolarHBondContact O-N 3.12Å
295C91.4Very high91.7Very high88 Ų8847.2 Ų47.260%0.59530%0.304SS*.EExtended strand (participates in β ladder)trans-86.1126171.4-60.50000111.2A299C295-A299 CarbonylContact C-O 3.58Å; C295-A299 WeakPolarHBondContact CA-O 3.32Å
296I90.6Very high91.6Very high5 Ų545.1 Ų45.13%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-122.1127166.8-57.4-174.9000107.2T247 T251 E255 G298 A299 I301T247-I296 HydrophobicContact CG2-CG2 3.91Å; T251-I296 HydrophobicContact CG2-CG2 4.04Å; E255-I296 HydrophobicContact CB-CD1 3.98Å; E255-I296 HydrophobicContact CG-CD1 3.97Å; E255-I296 HydrophobicContact CG-CG1 4.21Å; I296-G298 PolarHBondContact O-N 3.23Å; I296-G298 VanDerWaalsContact O-N 3.1Å; I296-A299 PolarHBondContact N-O 3.34Å; I296-A299 PolarHBondContact O-N 3.42Å; I296-I301 HydrophobicContact CB-CG2 4.16Å; I296-I301 HydrophobicContact CD1-CD1 3.7Å; I296-I301 HydrophobicContact CD1-CG1 4.28Å; I296-I301 HydrophobicContact CD1-CG2 4.17Å; I296-I301 HydrophobicContact CG1-CD1 4.29Å; I296-I301 HydrophobicContact CG1-CG1 4.38Å; I296-I301 HydrophobicContact CG1-CG2 4.16Å
297D86.4Confident91.4Very high83 Ų8347.8 Ų47.844%0.44430%0.297SS..THydrogen-bonded Turntrans4936.2-177.4-52.9-31.2000114.3M244 T247 A299M244-D297 HydrophobicContact CG-CB 4.35Å; T247-D297 VanDerWaalsContact CA-OD2 3.26Å; T247-D297 WeakPolarHBondContact CA-OD2 3.26Å; T247-D297 WeakPolarHBondContact CB-OD2 3.42Å; T247-D297 VanDerWaalsContact CG2-OD2 3.27Å; T247-D297 WeakPolarHBondContact CG2-OD2 3.33Å; T247-D297 PolarHBondContact OG1-OD2 3.01Å; D297-A299 VanDerWaalsContact C-N 3.32Å; D297-A299 PolarHBondContact O-N 2.86Å
298G84.1Confident90.8Very high76 Ų7650.3 Ų50.378%0.78431%0.314SS*.THydrogen-bonded Turntrans81-0.2-178.400000115.6I296I296-G298 PolarHBondContact O-N 3.23Å; I296-G298 VanDerWaalsContact O-N 3.1Å
299A87Confident89.6Confident3 Ų353.8 Ų53.83%0.02534%0.337CS..EExtended strand (participates in β ladder)trans-106.8129.2174.500000111.8K180 N242 M244 C295 I296 D297 I301K180-A299 HydrophobicContact CD-CB 4.43Å; N242-A299 WeakPolarHBondContact O-CB 3.41Å; M244-A299 HydrophobicContact CG-CB 3.85Å; M244-A299 HydrophobicContact SD-CB 4.13Å; C295-A299 CarbonylContact C-O 3.58Å; C295-A299 WeakPolarHBondContact CA-O 3.32Å; I296-A299 PolarHBondContact N-O 3.34Å; I296-A299 PolarHBondContact O-N 3.42Å; D297-A299 VanDerWaalsContact C-N 3.32Å; D297-A299 PolarHBondContact O-N 2.86Å; A299-I301 PolarHBondContact O-N 2.9Å
300S90.9Very high88Confident60 Ų6054 Ų5442%0.4233%0.331SS..EExtended strand (participates in β ladder)trans-70.9110.5171.9-56.40000110.2N242 K294N242-S300 PolarHBondContact ND2-O 3.1Å; K294-S300 CarbonylContact O-C 3.55Å; K294-S300 WeakPolarHBondContact O-CA 3.3Å
301I92.9Very high86Confident0 Ų059.1 Ų59.10%035%0.348CS..  trans-79146.5-179.760.3155.4000111.2V240 L243 F256 M291 G293 K294 I296 A299 V303V240-I301 HydrophobicContact CG1-CB 4.05Å; V240-I301 HydrophobicContact CG1-CD1 3.88Å; V240-I301 HydrophobicContact CG1-CG2 4.31Å; L243-I301 HydrophobicContact CD2-CG2 3.53Å; L243-I301 HydrophobicContact CG-CG2 4.23Å; F256-I301 HydrophobicContact CE2-CD1 4.01Å; F256-I301 HydrophobicContact CZ-CD1 3.96Å; M291-I301 HydrophobicContact CB-CD1 4.49Å; G293-I301 VanDerWaalsContact CA-O 3.31Å; G293-I301 WeakPolarHBondContact CA-O 3.37Å; G293-I301 PolarHBondContact N-O 2.77Å; K294-I301 HydrophobicContact CB-CG1 4.46Å; K294-I301 VanDerWaalsContact O-CG1 3.24Å; K294-I301 WeakPolarHBondContact O-CG1 3.32Å; K294-I301 PolarHBondContact O-N 3.12Å; I296-I301 HydrophobicContact CB-CG2 4.16Å; I296-I301 HydrophobicContact CD1-CD1 3.7Å; I296-I301 HydrophobicContact CD1-CG1 4.28Å; I296-I301 HydrophobicContact CD1-CG2 4.17Å; I296-I301 HydrophobicContact CG1-CD1 4.29Å; I296-I301 HydrophobicContact CG1-CG1 4.38Å; I296-I301 HydrophobicContact CG1-CG2 4.16Å; A299-I301 PolarHBondContact O-N 2.9Å; I301-V303 HydrophobicContact CD1-CG2 3.73Å; I301-V303 HydrophobicContact CG1-CG2 4.33Å
302E92.3Very high83.7Confident68 Ų6864.7 Ų64.732%0.31837%0.374SS..EExtended strand (participates in β ladder)trans-113.4133.8171.7-67.9170.8-131.500109V240 R241 N292V240-E302 CarbonylContact C-O 3.49Å; V240-E302 WeakPolarHBondContact CA-O 3.34Å; R241-E302 HydrophobicContact CG-CB 3.73Å; R241-E302 IonicContact CZ-OE2 2.73Å; R241-E302 PolarHBondContact N-O 3.42Å; R241-E302 IonicContact NE-OE2 3.38Å; R241-E302 PolarHBondContact NE-OE2 3Å; R241-E302 IonicContact NH2-OE2 3.29Å; R241-E302 PolarHBondContact NH2-OE2 3.06Å; R241-E302 PolarHBondContact O-N 3.03Å; R241-E302 VanDerWaalsContact O-N 3.1Å; N292-E302 WeakPolarHBondContact OD1-CA 3.03Å
303V94.8Very high81.3Confident3 Ų363.8 Ų63.82%0.01837%0.369CS..EExtended strand (participates in β ladder)trans-126.8121.8-170.7-170.70000110.1L238 Y239 V240 F256 M288 M291 N292 I301L238-V303 HydrophobicContact CB-CG1 3.94Å; L238-V303 HydrophobicContact CD1-CG1 3.69Å; L238-V303 HydrophobicContact CG-CG1 4.26Å; Y239-V303 WeakPolarHBondContact O-CA 3.43Å; V240-V303 HydrophobicContact CG1-CG2 4.34Å; V240-V303 HydrophobicContact CG2-CG1 4.23Å; V240-V303 HydrophobicContact CG2-CG2 4.29Å; F256-V303 HydrophobicContact CE1-CG1 4.28Å; F256-V303 HydrophobicContact CE1-CG2 4.47Å; F256-V303 HydrophobicContact CZ-CG1 4.35Å; F256-V303 HydrophobicContact CZ-CG2 3.94Å; M288-V303 HydrophobicContact CB-CG1 4.24Å; M288-V303 HydrophobicContact CG-CB 4.44Å; M288-V303 HydrophobicContact CG-CG1 4.08Å; M288-V303 WeakPolarHBondContact CG-O 3.33Å; M291-V303 HydrophobicContact CB-CG2 4.25Å; N292-V303 HydrophobicContact CB-CB 4.13Å; N292-V303 HydrophobicContact CB-CG2 4.5Å; N292-V303 PolarHBondContact OD1-N 3.38Å; I301-V303 HydrophobicContact CD1-CG2 3.73Å; I301-V303 HydrophobicContact CG1-CG2 4.33Å
304T93.8Very high79Confident66 Ų6664.8 Ų64.841%0.40537%0.366SS..EExtended strand (participates in β ladder)trans-133.4166176.762.10000111L238 Y239 A306L238-T304 CarbonylContact C-O 3.54Å; L238-T304 WeakPolarHBondContact CA-O 3.37Å; Y239-T304 PolarHBondContact N-O 3.42Å; Y239-T304 PolarHBondContact O-N 3.37Å; T304-A306 PolarHBondContact O-N 3.49Å
305L93.3Very high76.1Confident38 Ų3870.3 Ų70.320%0.19938%0.384CS..EExtended strand (participates in β ladder)trans-66.3130.6168.8-75167.6000109.8V235 L238 M288 K307V235-L305 HydrophobicContact CB-CD2 4.35Å; V235-L305 HydrophobicContact CG1-CB 4.36Å; V235-L305 HydrophobicContact CG1-CD2 3.94Å; L238-L305 HydrophobicContact CD2-CD2 3.99Å; M288-L305 HydrophobicContact SD-CG 4.09Å; L305-K307 PolarHBondContact O-N 2.72Å
306A91.9Very high73.3Confident7 Ų773.6 Ų73.66%0.05838%0.384CS..PPolyproline II helixtrans-69.2125.5-179.900000110.9V235 V237 F275 T304 P308V235-A306 WeakPolarHBondContact CG1-O 3.42Å; V237-A306 HydrophobicContact CB-CB 4.04Å; V237-A306 HydrophobicContact CG1-CB 3.94Å; V237-A306 WeakPolarHBondContact O-CB 3.3Å; V237-A306 PolarHBondContact O-N 2.89Å; F275-A306 HydrophobicContact CD1-CB 3.9Å; F275-A306 HydrophobicContact CE1-CB 4Å; T304-A306 PolarHBondContact O-N 3.49Å; A306-P308 WeakPolarHBondContact O-CD 3.39Å
307K88Confident70.9Confident90 Ų9078.8 Ų78.839%0.39141%0.409SS..PPolyproline II helixtrans-62.3119.6174.2-63.2-158.1160.4-174.60109.8E224 K225 M232 L305 V309E224-K307 VanDerWaalsContact OE1-CE 3.28Å; E224-K307 WeakPolarHBondContact OE1-CE 3.02Å; E224-K307 IonicContact OE1-NZ 2.77Å; E224-K307 PolarHBondContact OE1-NZ 3.12Å; K225-K307 PolarHBondContact O-NZ 2.84Å; M232-K307 HydrophobicContact CE-CB 4.32Å; M232-K307 HydrophobicContact CE-CD 4.3Å; M232-K307 HydrophobicContact CE-CG 3.76Å; L305-K307 PolarHBondContact O-N 2.72Å; K307-V309 PolarHBondContact O-N 3.08Å
308P82Confident68.7Low53 Ų5383 Ų8334%0.34443%0.425SS..PPolyproline II helixtrans-70.5131.1-176.523.7-28.4000110.8V227 T231 V235 A306 N310V227-P308 HydrophobicContact CG1-CG 3.97Å; T231-P308 HydrophobicContact CG2-CB 4.46Å; T231-P308 HydrophobicContact CG2-CG 3.55Å; V235-P308 HydrophobicContact CG2-CB 4.49Å; V235-P308 HydrophobicContact CG2-CG 3.99Å; A306-P308 WeakPolarHBondContact O-CD 3.39Å; P308-N310 PolarHBondContact O-N 2.81Å
309V69.7Low66.3Low115 Ų11586.3 Ų86.370%0.69742%0.424SS*.  trans-81.6106.8-178.4-174.50000109.4K307 K311K307-V309 PolarHBondContact O-N 3.08Å; V309-K311 PolarHBondContact O-N 2.78Å
310N58.1Low63.7Low97 Ų9793.4 Ų93.452%0.51946%0.461SS..  trans-69.4103.2171.6-174.3-17.5000109.9P308 E312 N313P308-N310 PolarHBondContact O-N 2.81Å; N310-E312 PolarHBondContact O-N 3.17Å; N310-E312 VanDerWaalsContact O-N 3.16Å; N310-E312 PolarHBondContact OD1-N 3.27Å; N310-E312 VanDerWaalsContact OD1-N 3.15Å; N310-N313 PolarHBondContact O-N 3.05Å
311K49.9Very low60.8Low172 Ų17293.2 Ų93.275%0.74847%0.469SS*.THydrogen-bonded Turntrans-62.7-18.6-174.1-64.9178.9-178.8173.10114.4V309 W315V309-K311 PolarHBondContact O-N 2.78Å; K311-W315 PolarHBondContact O-NE1 3.49Å
312E44.3Very low57.9Low116 Ų116102.6 Ų102.654%0.54251%0.513SS..THydrogen-bonded Turntrans-79-33.7-179.2-160.2-177.7137.900112.3N310 R316N310-E312 PolarHBondContact O-N 3.17Å; N310-E312 VanDerWaalsContact O-N 3.16Å; N310-E312 PolarHBondContact OD1-N 3.27Å; N310-E312 VanDerWaalsContact OD1-N 3.15Å; E312-R316 IonicContact OE1-CZ 3.6Å; E312-R316 IonicContact OE1-NH2 3.03Å; E312-R316 PolarHBondContact OE1-NH2 3.39Å
313N44.7Very low55.1Low69 Ų69106.3 Ų106.337%0.36953%0.534SS..Hα-helixtrans-84.1-22.8-173.6-78.4-20.9000114.2N310 W315 R316 Q317N310-N313 PolarHBondContact O-N 3.05Å; N313-W315 PolarHBondContact O-N 2.91Å; N313-R316 PolarHBondContact O-N 2.62Å; N313-Q317 PolarHBondContact O-N 3.48Å
314T40Very low51.9Low68 Ų68110.5 Ų110.542%0.41756%0.563SS.*Hα-helixtrans-59.7-34.8178.2-50.20000112
315W32.8Very low48.8Very low200 Ų200112.7 Ų112.776%0.75858%0.579SS**Hα-helixtrans-71.7-37.4178.4-57.2103.8000113.2K311 N313K311-W315 PolarHBondContact O-NE1 3.49Å; N313-W315 PolarHBondContact O-N 2.91Å
316R32.8Very low45.8Very low156 Ų156119 Ų11959%0.58961%0.612SS**Hα-helixtrans-76.8-26.9-177.3-57.3-170.1-162-178.67.6113.1E312 N313 H318 L319E312-R316 IonicContact OE1-CZ 3.6Å; E312-R316 IonicContact OE1-NH2 3.03Å; E312-R316 PolarHBondContact OE1-NH2 3.39Å; N313-R316 PolarHBondContact O-N 2.62Å; R316-H318 VanDerWaalsContact C-N 3.35Å; R316-H318 PolarHBondContact O-N 3.06Å; R316-L319 PolarHBondContact O-N 2.75Å
317Q39.9Very low42.9Very low115 Ų115123.7 Ų123.754%0.53765%0.645SS.*Hα-helixtrans-71.6-26.1-178.3-72.8-169.9-53.100113.8N313 L319N313-Q317 PolarHBondContact O-N 3.48Å; Q317-L319 PolarHBondContact O-N 3.18Å
318H39.3Very low40.1Very low172 Ų172127.8 Ų127.880%0.79667%0.666SS**THydrogen-bonded Turntrans-67.8-11.9172.9-87.8-86.5000114.3R316R316-H318 VanDerWaalsContact C-N 3.35Å; R316-H318 PolarHBondContact O-N 3.06Å
319L33.3Very low37.5Very low145 Ų145129.6 Ų129.676%0.75967%0.672SS**THydrogen-bonded Turntrans-96.9-10.7-172.8-105.4137.2000115.2R316 Q317R316-L319 PolarHBondContact O-N 2.75Å; Q317-L319 PolarHBondContact O-N 3.18Å
320N33.2Very low35.9Very low151 Ų151132.4 Ų132.481%0.80768%0.683SS**SBendtrans-131.114.7-172.2-150.888.9000114.6
321G29.4Very low34.9Very low57 Ų57135 Ų13559%0.58869%0.694SS**  trans-83.5117.4170.800000111.2I323G321-I323 PolarHBondContact O-N 3.2Å
322Q32.3Very low33.7Very low196 Ų196132.5 Ų132.592%0.91669%0.694SS**  trans-66.5114.6160.7-70.3-175.58.900107.7S324Q322-S324 PolarHBondContact O-N 3.2Å; Q322-S324 VanDerWaalsContact O-N 3.12Å
323I33.2Very low32.9Very low146 Ų146135 Ų13575%0.74970%0.703SS**  trans-74.2104.6177.8-61.4171.8000107.7G321 P325G321-I323 PolarHBondContact O-N 3.2Å; I323-P325 WeakPolarHBondContact O-CD 3.4Å
324S28.5Very low32.1Very low92 Ų92136.1 Ų136.164%0.64372%0.721SS**  trans-74.4119.9165.8-1630000108.1Q322 N326Q322-S324 PolarHBondContact O-N 3.2Å; Q322-S324 VanDerWaalsContact O-N 3.12Å; S324-N326 VanDerWaalsContact C-N 3.31Å; S324-N326 PolarHBondContact O-N 3.31Å
325P28.6Very low31.4Very low112 Ų112140.9 Ų140.973%0.72775%0.745SS**THydrogen-bonded Turntrans-81.775.8-172.433.4-35.1000110.9I323I323-P325 WeakPolarHBondContact O-CD 3.4Å
326N29.2Very low31.2Very low169 Ų169140.9 Ų140.990%0.90475%0.75SS**THydrogen-bonded Turntrans-170.624.7156.3-103-8.8000115.3S324S324-N326 VanDerWaalsContact C-N 3.31Å; S324-N326 PolarHBondContact O-N 3.31Å
327S31.9Very low30.9Very low106 Ų106142.7 Ų142.774%0.74177%0.765SS**  trans-121.464.8172.2660000111.4N329S327-N329 PolarHBondContact O-N 2.91Å
328E28.7Very low30Very low177 Ų177145.6 Ų145.683%0.82778%0.778SS**  trans-71.3117.7171.7-75.6-156.7148.200111.2
329N27.7Very low29.3Very low91 Ų91142.9 Ų142.949%0.48778%0.779SS.*  trans70.395.3153.3-54.8-45.2000119.2S327 F333S327-N329 PolarHBondContact O-N 2.91Å; N329-F333 HydrophobicContact CB-CE2 3.89Å
330L36.6Very low29Very low174 Ų174144.4 Ų144.491%0.91178%0.782SS**SBendtrans-14729144.2-133.3142.9000116.6
331I36.9Very low28.8Very low150 Ų150142.8 Ų142.877%0.76978%0.779SS**SBendtrans-139.2136.9153.4-49.1179.6000108.1
332V25.4Very low28.7Very low120 Ų120149.7 Ų149.773%0.72779%0.793SS**  trans75.5105.3-173.3-169.40000114.8
333F26.6Very low28.3Very low170 Ų170146.5 Ų146.575%0.74679%0.787SS**  trans-143.4142.3136.9-90.4-64.2000110.8N329N329-F333 HydrophobicContact CB-CE2 3.89Å
334A26.8Very low28Very low91 Ų91147.3 Ų147.375%0.75279%0.792SS**  trans-77.3158.7172.400000111.1
335N26.9Very low27.8Very low169 Ų169146.2 Ų146.290%0.90480%0.796SS**  trans-60138.6177.8-68.8-16.2000111.8
336K27.6Very low27.7Very low199 Ų199151.1 Ų151.187%0.86581%0.805SS**  trans-143.3100.8160.8-157.7-177.1-173.5-169.20108.1
337E26.3Very low27.3Very low194 Ų194150.2 Ų150.291%0.90780%0.8SS**  trans-113.6124.7167.8-73.8-166.8144.300108.9
338E22.5Very low27.3Very low176 Ų176150.4 Ų150.482%0.82280%0.799SS**  trans-85.6137.8162.5-74.2177.4121.900109.1
339S24.2Very low27.1Very low115 Ų115147.8 Ų147.880%0.80480%0.795SS**  trans-141.4120.7160.155.30000110.1
340H25.8Very low26.9Very low178 Ų178150.6 Ų150.682%0.82481%0.809SS**  trans-74.6144176.9-75.8-75.3000111.5
341P30.5Very low26.9Very low116 Ų116148 Ų14875%0.75380%0.803SS**  trans-89.7157.2-179.635.4-35.3000113.6
342K25.7Very low26.3Very low203 Ų203145.7 Ų145.788%0.88381%0.806SS**  trans-130.7100.7162.9-78.5-173.8177.3177.90111.8
343T23.8Very low26.3Very low128 Ų128151.1 Ų151.179%0.78581%0.813SS**  trans31.3125.2133.7-38.90000120.5
344L26.8Very low26.2Very low164 Ų164150.4 Ų150.486%0.85982%0.816SS**  171.8115.2101.3-17267.7000115.6
345G24.8Very low26.1Very low69 Ų69153.7 Ų153.771%0.71182%0.821SS**  trans77.5150.3138.900000120.3
346K26Very low25.9Very low214 Ų214148.9 Ų148.993%0.9381%0.812SS**  cis-159.6156.5-6.5-131.8-178.8-174.5-178.80110.3
347L21.1Very low25.8Very low150 Ų150147.8 Ų147.879%0.78581%0.81SS**  trans-77.8175.9175.9-129.180.3000112.1
348P33.3Very low25.8Very low111 Ų111146.3 Ų146.372%0.72180%0.802SS**  cis-122.6-172.444.340.4-23.6000113.3
349T24Very low26.4Very low121 Ų121142.9 Ų142.974%0.74280%0.798SS**  cis-148.9-171.912-27.80000111.4
350L23.3Very low27.2Very low151 Ų151143.2 Ų143.279%0.79180%0.797SS**  trans-131.7174171.4-84.1172.7000108.7
351P35.5Very low27.4Very low120 Ų120139.7 Ų139.778%0.77979%0.793SS**  cis-144.2173.721.642.9-23.8000118.6
352A25.5Very low27.5Very low100 Ų100139.3 Ų139.383%0.82679%0.791SS**  trans145.8139.9133.300000114.3
353R24.8Very low27.9Very low234 Ų234136.1 Ų136.188%0.88379%0.79SS**  trans-72.7146.3-169.6-58169.1164.6-164.4-5115.1
354L25.2Very low28.6Very low155 Ų155138.8 Ų138.881%0.81279%0.794SS**  172143.6105.1-96.8163000113.4
355N24.3Very low29.1Very low160 Ų160136.8 Ų136.886%0.85679%0.788SS**  trans48.7130.4161.7-85.64000122.5
356G23.1Very low29.6Very low69 Ų69140.7 Ų140.771%0.71179%0.788SS**  trans112.9112.4132.500000119.3
357Q26.1Very low30.6Very low175 Ų175140.7 Ų140.782%0.81878%0.782SS**  trans66.4139.9144.8-75-169.8-12.300122.6
358H26.5Very low31.8Very low163 Ų163138.5 Ų138.576%0.75578%0.778SS**  trans48.8123.2146.1-68.2-63.2000118.9
359S35Very low32.5Very low104 Ų104137.5 Ų137.573%0.72777%0.77SS**  177-171.351.8-96.80000107.9
360P39.5Very low34.2Very low122 Ų122140.7 Ų140.779%0.79277%0.77SS**  cis-131167441-24.2000116.4
361S30.9Very low36.2Very low105 Ų105137.5 Ų137.573%0.73476%0.758SS**  trans-89.2159.2167.543.90000112.6
362P32.6Very low37.8Very low108 Ų108137.9 Ų137.970%0.70175%0.748SS**  trans-68.7159170.130.3-35.2000111.9E364P362-E364 PolarHBondContact O-N 3.2Å; P362-E364 VanDerWaalsContact O-N 3.15Å
363P34.8Very low40Very low135 Ų135140.3 Ų140.388%0.87774%0.737SS**  trans-69.6112.7-171.127.6-34.7000112.1
364E36.9Very low42Very low184 Ų184135.4 Ų135.486%0.8674%0.735SS**  trans-82.3160.9178.3-152.8167.3-159.900111.6P362 E366P362-E364 PolarHBondContact O-N 3.2Å; P362-E364 VanDerWaalsContact O-N 3.15Å; E364-E366 PolarHBondContact O-N 2.98Å
365V37.2Very low44.3Very low123 Ų123131.7 Ų131.775%0.74573%0.734SS**  trans-75.187.4-171.2-179.20000110.9R367V365-R367 VanDerWaalsContact C-N 3.3Å; V365-R367 HydrophobicContact CG1-CG 4.46Å; V365-R367 PolarHBondContact O-N 3.25Å
366E36.9Very low47.2Very low151 Ų151127.2 Ų127.271%0.70671%0.713SS**  trans-73.579.3-179-156.8168.2-135.700112.4E364 T369E364-E366 PolarHBondContact O-N 2.98Å; E366-T369 WeakPolarHBondContact CG-OG1 3.45Å; E366-T369 WeakPolarHBondContact OE1-CB 3.34Å; E366-T369 PolarHBondContact OE1-OG1 3.05Å
367R47.1Very low49.4Very low214 Ų214133.3 Ų133.381%0.80872%0.72SS**SBendtrans-94.3109.2161.3-78.7-173.1-176.3155.47.1109.4V365V365-R367 VanDerWaalsContact C-N 3.3Å; V365-R367 HydrophobicContact CG1-CG 4.46Å; V365-R367 PolarHBondContact O-N 3.25Å
368C45.6Very low51.7Low103 Ų103131.6 Ų131.670%0.69672%0.716SS**SBendtrans7333167.5-51.30000116.9Y370C368-Y370 HydrophobicContact CB-CE2 4.18Å
369T47.3Very low53.8Low91 Ų91129.6 Ų129.656%0.55872%0.715SS**  trans-72.4131.2154.6-44.70000108.7E366E366-T369 WeakPolarHBondContact CG-OG1 3.45Å; E366-T369 WeakPolarHBondContact OE1-CB 3.34Å; E366-T369 PolarHBondContact OE1-OG1 3.05Å
370Y59.6Low55.2Low188 Ų188131.2 Ų131.274%0.73772%0.723SS**  trans-113.6132.8169.5-68-88.9000108.5C368 F372C368-Y370 HydrophobicContact CB-CE2 4.18Å; Y370-F372 PolarHBondContact O-N 3.03Å
371P65.1Low56.5Low83 Ų83130.8 Ų130.854%0.53971%0.713SS.*  trans-63.2133.6179.926-34.2000110.6Y373P371-Y373 HydrophobicContact CG-CE1 4.37Å; P371-Y373 HydrophobicContact CG-CE2 4.08Å; P371-Y373 WeakPolarHBondContact O-CD2 3.39Å; P371-Y373 WeakPolarHBondContact O-CE2 3.44Å; P371-Y373 PolarHBondContact O-N 2.93Å
372F69.2Low58.2Low129 Ų129128.5 Ų128.557%0.56670%0.697SS**  trans-77.7111.6176.2-175.2-105000109.8Y370 T376 L378Y370-F372 PolarHBondContact O-N 3.03Å; F372-T376 HydrophobicContact CD2-CG2 4.12Å; F372-T376 VanDerWaalsContact CE2-CB 3.48Å; F372-T376 HydrophobicContact CE2-CG2 3.6Å; F372-T376 HydrophobicContact CZ-CG2 4.38Å; F372-T376 WeakPolarHBondContact CZ-O 3.24Å; F372-L378 HydrophobicContact CD2-CD2 4.35Å; F372-L378 HydrophobicContact CE2-CD1 3.87Å; F372-L378 HydrophobicContact CE2-CD2 3.6Å; F372-L378 HydrophobicContact CE2-CG 3.61Å; F372-L378 HydrophobicContact CZ-CD1 3.92Å; F372-L378 HydrophobicContact CZ-CD2 4.4Å; F372-L378 HydrophobicContact CZ-CG 3.91Å
373Y72.2Confident59.6Low151 Ų151127 Ų12759%0.59268%0.682SS**  trans-82.2140.6-177.9-64.6-77.2000111.7P371 G375 T376P371-Y373 HydrophobicContact CG-CE1 4.37Å; P371-Y373 HydrophobicContact CG-CE2 4.08Å; P371-Y373 WeakPolarHBondContact O-CD2 3.39Å; P371-Y373 WeakPolarHBondContact O-CE2 3.44Å; P371-Y373 PolarHBondContact O-N 2.93Å; Y373-G375 PolarHBondContact O-N 3.01Å; Y373-T376 WeakPolarHBondContact O-CB 3.33Å; Y373-T376 PolarHBondContact O-N 3.12Å; Y373-T376 PolarHBondContact O-OG1 2.79Å
374P66.3Low60.8Low131 Ų131127.3 Ų127.385%0.85167%0.666SS**THydrogen-bonded Turntrans-53.7127.5174.1-26.735.3000111.8
375G74.3Confident62.1Low77 Ų77122.4 Ų122.479%0.79465%0.652SS**THydrogen-bonded Turntrans91.5-2.1-17700000115.7Y373 K377Y373-G375 PolarHBondContact O-N 3.01Å; G375-K377 PolarHBondContact O-N 2.88Å
376T85.7Confident63.5Low66 Ų66118.3 Ų118.341%0.40563%0.626SS.*  trans-61.2118.1171.3-630000111F372 Y373 L378F372-T376 HydrophobicContact CD2-CG2 4.12Å; F372-T376 VanDerWaalsContact CE2-CB 3.48Å; F372-T376 HydrophobicContact CE2-CG2 3.6Å; F372-T376 HydrophobicContact CZ-CG2 4.38Å; F372-T376 WeakPolarHBondContact CZ-O 3.24Å; Y373-T376 WeakPolarHBondContact O-CB 3.33Å; Y373-T376 PolarHBondContact O-N 3.12Å; Y373-T376 PolarHBondContact O-OG1 2.79Å; T376-L378 PolarHBondContact O-N 2.92Å
377K68.9Low64.7Low197 Ų197118.3 Ų118.386%0.85762%0.624SS**  trans-75.3105.6175.5-69.8-175.1178.3-179.20110.3G375G375-K377 PolarHBondContact O-N 2.88Å
378L74.6Confident65.3Low139 Ų139111 Ų11173%0.72861%0.605SS**  trans-75.3132.9168.8-66.2174.7000110.2F372 T376F372-L378 HydrophobicContact CD2-CD2 4.35Å; F372-L378 HydrophobicContact CE2-CD1 3.87Å; F372-L378 HydrophobicContact CE2-CD2 3.6Å; F372-L378 HydrophobicContact CE2-CG 3.61Å; F372-L378 HydrophobicContact CZ-CD1 3.92Å; F372-L378 HydrophobicContact CZ-CD2 4.4Å; F372-L378 HydrophobicContact CZ-CG 3.91Å; T376-L378 PolarHBondContact O-N 2.92Å
379T69.9Low65.8Low120 Ų120112.9 Ų112.974%0.73661%0.608SS**  trans-108.5129.3169.950.90000109.3I381T379-I381 PolarHBondContact O-N 3.44Å
380P65.7Low66.7Low138 Ų138114.2 Ų114.290%0.89661%0.608SS**PPolyproline II helixtrans-65.2118.2175.127.3-33000109.4
381I65.2Low67.4Low114 Ų114105.7 Ų105.759%0.58558%0.575SS**PPolyproline II helixtrans-98136.1175.2-169.2164000109.7T379 L386T379-I381 PolarHBondContact O-N 3.44Å; I381-L386 HydrophobicContact CD1-CD2 3.89Å
382S68.4Low67.5Low57 Ų57109.6 Ų109.640%0.39959%0.591SS.*PPolyproline II helixtrans-79.5146172.9-172.20000110.7Y384 S385S382-Y384 PolarHBondContact O-N 2.88Å; S382-Y384 VanDerWaalsContact O-N 3.12Å; S382-Y384 WeakPolarHBondContact OG-CD2 3.37Å; S382-S385 WeakPolarHBondContact O-CB 3.15Å; S382-S385 PolarHBondContact O-N 3.17Å
383M60.4Low68.2Low77 Ų77104.9 Ų104.938%0.37957%0.574SS.*G310 helixtrans-53.4-30.9171.6-75.9-72.1-76.300112.4S385 L386 F391 Y400M383-S385 PolarHBondContact O-N 2.65Å; M383-L386 PolarHBondContact O-N 2.84Å; M383-L386 HydrophobicContact SD-CD1 3.84Å; M383-F391 HydrophobicContact CE-CE1 3.77Å; M383-F391 HydrophobicContact CE-CZ 3.9Å; M383-F391 HydrophobicContact SD-CE1 4.15Å; M383-F391 HydrophobicContact SD-CZ 4.4Å; M383-Y400 HydrophobicContact CE-CD2 4.41Å; M383-Y400 WeakPolarHBondContact O-CE2 3.44Å
384Y61.6Low68.9Low140 Ų14098.1 Ų98.155%0.54955%0.55SS..G310 helixtrans-63.5-21.3175.8-57.8-63.3000114.2S382 N403S382-Y384 PolarHBondContact O-N 2.88Å; S382-Y384 VanDerWaalsContact O-N 3.12Å; S382-Y384 WeakPolarHBondContact OG-CD2 3.37Å; Y384-N403 WeakPolarHBondContact CE1-ND2 3.3Å; Y384-N403 VanDerWaalsContact CZ-ND2 3.28Å; Y384-N403 PolarHBondContact OH-ND2 3.09Å; Y384-N403 VanDerWaalsContact OH-ND2 3.07Å
385S64.1Low69.9Low82 Ų8292.8 Ų92.857%0.57352%0.515SS*.G310 helixtrans-88.4-9.9178.8-52.60000113.3S382 M383S382-S385 WeakPolarHBondContact O-CB 3.15Å; S382-S385 PolarHBondContact O-N 3.17Å; M383-S385 PolarHBondContact O-N 2.65Å
386L64.6Low70.4Confident36 Ų3693.3 Ų93.319%0.18850%0.497CS..SBendtrans-86137.7178.1-61.4177.6000110.6I381 M383 F391I381-L386 HydrophobicContact CD1-CD2 3.89Å; M383-L386 PolarHBondContact O-N 2.84Å; M383-L386 HydrophobicContact SD-CD1 3.84Å; L386-F391 HydrophobicContact CB-CE1 4.37Å; L386-F391 HydrophobicContact CB-CE2 4.44Å; L386-F391 HydrophobicContact CB-CZ 3.77Å; L386-F391 HydrophobicContact CD1-CE1 3.89Å; L386-F391 HydrophobicContact CD1-CZ 4.05Å
387K63.8Low70.3Confident152 Ų15292.9 Ų92.966%0.66149%0.491SS*.  trans-86.2153.1173.1-63.7-178.3-179.3179.40109.7N389 H390K387-N389 PolarHBondContact O-N 3.22Å; K387-H390 WeakPolarHBondContact O-CB 3.49Å; K387-H390 PolarHBondContact O-N 3.48Å
388S58.6Low71.1Confident60 Ų6083.5 Ų83.542%0.4245%0.45SS..G310 helixtrans-44.3-39.7174.548.60000113.6H390 F391 H397S388-H390 PolarHBondContact O-N 3.42Å; S388-F391 PolarHBondContact O-N 2.84Å; S388-H397 PolarHBondContact O-CE1 3.03Å
389N57.3Low71.5Confident143 Ų14379.9 Ų79.977%0.76543%0.431SS*.G310 helixtrans-68.9-2.3-177.1-58.420.7000114.2K387K387-N389 PolarHBondContact O-N 3.22Å
390H66.1Low72.2Confident118 Ų11876.1 Ų76.155%0.54640%0.404SS..G310 helixtrans-93.1-9.1176.9-66.9-141.5000112.3K387 S388K387-H390 WeakPolarHBondContact O-CB 3.49Å; K387-H390 PolarHBondContact O-N 3.48Å; S388-H390 PolarHBondContact O-N 3.42Å
391F73.1Confident73Confident10 Ų1071.8 Ų71.84%0.04437%0.37CS..  trans-103.3119.5-179.1-50.8-64000110.7M383 L386 S388 M396 H397 Y400M383-F391 HydrophobicContact CE-CE1 3.77Å; M383-F391 HydrophobicContact CE-CZ 3.9Å; M383-F391 HydrophobicContact SD-CE1 4.15Å; M383-F391 HydrophobicContact SD-CZ 4.4Å; L386-F391 HydrophobicContact CB-CE1 4.37Å; L386-F391 HydrophobicContact CB-CE2 4.44Å; L386-F391 HydrophobicContact CB-CZ 3.77Å; L386-F391 HydrophobicContact CD1-CE1 3.89Å; L386-F391 HydrophobicContact CD1-CZ 4.05Å; S388-F391 PolarHBondContact O-N 2.84Å; F391-M396 HydrophobicContact CB-CB 4.25Å; F391-M396 HydrophobicContact CD1-CB 4.11Å; F391-M396 HydrophobicContact CD1-CE 3.85Å; F391-M396 HydrophobicContact CD1-SD 4.43Å; F391-M396 HydrophobicContact CE1-CE 4.22Å; F391-M396 HydrophobicContact CG-CB 4.4Å; F391-H397 PolarHBondContact O-NE2 2.82Å; F391-Y400 HydrophobicContact CE2-CD1 4.21Å; F391-Y400 AromaticContact CE2-CD2 3.75Å; F391-Y400 HydrophobicContact CE2-CD2 3.75Å; F391-Y400 HydrophobicContact CE2-CE2 4.21Å; F391-Y400 AromaticContact CE2-CG 3.74Å; F391-Y400 HydrophobicContact CE2-CG 3.74Å; F391-Y400 AromaticContact CZ-CD2 3.76Å; F391-Y400 HydrophobicContact CZ-CD2 3.76Å; F391-Y400 HydrophobicContact CZ-CE2 4.35Å; F391-Y400 HydrophobicContact CZ-CG 4.1Å
392N68.4Low73.9Confident165 Ų16566.4 Ų66.488%0.88234%0.342SS*.  trans-95.5-3177.8-64.9-41.4000113.4
393S84.3Confident74.6Confident29 Ų2966.8 Ų66.820%0.20334%0.34CS..  trans-119133-176.4154.70000109.5V395 M396 H397 E457S393-V395 VanDerWaalsContact C-N 3.29Å; S393-V395 PolarHBondContact O-N 3.38Å; S393-V395 WeakPolarHBondContact OG-CB 3.21Å; S393-V395 PolarHBondContact OG-N 2.94Å; S393-M396 PolarHBondContact O-N 3.05Å; S393-M396 PolarHBondContact OG-N 3.06Å; S393-H397 PolarHBondContact O-CD2 2.79Å; S393-H397 VanDerWaalsContact O-CD2 3.25Å; S393-H397 PolarHBondContact O-N 2.83Å; S393-H397 VanDerWaalsContact O-N 3.08Å; S393-E457 WeakPolarHBondContact CA-OE1 3.11Å; S393-E457 VanDerWaalsContact CB-OE1 3.24Å; S393-E457 WeakPolarHBondContact CB-OE1 3.18Å; S393-E457 PolarHBondContact OG-OE1 2.74Å
394A85.3Confident75.6Confident10 Ų1069.5 Ų69.58%0.08335%0.35CS..Hα-helixtrans-70.1-27.8176.900000112.4M396 H397 L398 E457 A460 Q461 L464A394-M396 VanDerWaalsContact C-N 3.35Å; A394-H397 PolarHBondContact O-N 3.46Å; A394-L398 WeakPolarHBondContact O-CB 3.42Å; A394-L398 PolarHBondContact O-N 3.38Å; A394-E457 WeakPolarHBondContact CB-OE2 3.07Å; A394-E457 VanDerWaalsContact N-CD 3.34Å; A394-E457 PolarHBondContact N-OE1 2.89Å; A394-E457 PolarHBondContact N-OE2 3.45Å; A394-A460 HydrophobicContact CB-CB 4.11Å; A394-Q461 HydrophobicContact CB-CB 4.34Å; A394-Q461 HydrophobicContact CB-CG 3.25Å; A394-L464 HydrophobicContact CB-CD1 4.38Å
395V87.3Confident76.5Confident19 Ų1965.9 Ų65.912%0.11534%0.34CS..Hα-helixtrans-58-49.2169.8176.40000109.7S393 H397 L398 D399 K456 E457 A460S393-V395 VanDerWaalsContact C-N 3.29Å; S393-V395 PolarHBondContact O-N 3.38Å; S393-V395 WeakPolarHBondContact OG-CB 3.21Å; S393-V395 PolarHBondContact OG-N 2.94Å; V395-H397 PolarHBondContact O-N 2.77Å; V395-L398 PolarHBondContact O-N 3.23Å; V395-D399 PolarHBondContact O-N 2.89Å; V395-K456 HydrophobicContact CG2-CD 4.3Å; V395-K456 HydrophobicContact CG2-CG 3.96Å; V395-E457 PolarHBondContact N-OE1 3.19Å; V395-A460 HydrophobicContact CG2-CB 3.95Å
396M85.4Confident77.4Confident87 Ų8768.9 Ų68.943%0.42935%0.349SS..Hα-helixtrans-63.7-38.3176.4-64.8-173.379.500113.2F391 S393 A394 L398 Y400F391-M396 HydrophobicContact CB-CB 4.25Å; F391-M396 HydrophobicContact CD1-CB 4.11Å; F391-M396 HydrophobicContact CD1-CE 3.85Å; F391-M396 HydrophobicContact CD1-SD 4.43Å; F391-M396 HydrophobicContact CE1-CE 4.22Å; F391-M396 HydrophobicContact CG-CB 4.4Å; S393-M396 PolarHBondContact O-N 3.05Å; S393-M396 PolarHBondContact OG-N 3.06Å; A394-M396 VanDerWaalsContact C-N 3.35Å; M396-L398 VanDerWaalsContact C-N 3.35Å; M396-Y400 VanDerWaalsContact O-CB 3.32Å; M396-Y400 WeakPolarHBondContact O-CB 3.45Å; M396-Y400 PolarHBondContact O-N 3.31Å
397H82.4Confident78.3Confident57 Ų5770.3 Ų70.326%0.26435%0.352SS..Hα-helixtrans-62.6-41.2174.1-83.9-79.5000111.8S388 F391 S393 A394 V395 Y401 L464S388-H397 PolarHBondContact O-CE1 3.03Å; F391-H397 PolarHBondContact O-NE2 2.82Å; S393-H397 PolarHBondContact O-CD2 2.79Å; S393-H397 VanDerWaalsContact O-CD2 3.25Å; S393-H397 PolarHBondContact O-N 2.83Å; S393-H397 VanDerWaalsContact O-N 3.08Å; A394-H397 PolarHBondContact O-N 3.46Å; V395-H397 PolarHBondContact O-N 2.77Å; H397-Y401 VanDerWaalsContact O-CB 3.23Å; H397-Y401 WeakPolarHBondContact O-CB 3.44Å; H397-Y401 PolarHBondContact O-N 3.3Å; H397-L464 HydrophobicContact CB-CD1 3.72Å
398L86.1Confident79.1Confident0 Ų065.3 Ų65.30%034%0.339CS..Hα-helixtrans-69-42.3179.4-175.262.2000111.8A394 V395 M396 Y401 C402 P410 I430 I432 A460 T463 L464 L467A394-L398 WeakPolarHBondContact O-CB 3.42Å; A394-L398 PolarHBondContact O-N 3.38Å; V395-L398 PolarHBondContact O-N 3.23Å; M396-L398 VanDerWaalsContact C-N 3.35Å; L398-Y401 PolarHBondContact O-N 3.28Å; L398-C402 PolarHBondContact O-N 2.76Å; L398-C402 PolarHBondContact O-SG 3.25Å; L398-P410 HydrophobicContact CD2-CB 4.02Å; L398-P410 HydrophobicContact CD2-CG 4.1Å; L398-P410 HydrophobicContact CG-CB 4.35Å; L398-P410 HydrophobicContact CG-CG 4.07Å; L398-I430 HydrophobicContact CD2-CD1 3.84Å; L398-I430 HydrophobicContact CD2-CG2 4.2Å; L398-I432 HydrophobicContact CD1-CD1 4.22Å; L398-A460 HydrophobicContact CB-CB 4.39Å; L398-A460 HydrophobicContact CD2-CB 4.15Å; L398-T463 HydrophobicContact CD1-CG2 3.82Å; L398-T463 HydrophobicContact CD2-CG2 3.88Å; L398-L464 HydrophobicContact CB-CD1 4.32Å; L398-L464 HydrophobicContact CB-CD2 4.25Å; L398-L464 HydrophobicContact CB-CG 4.14Å; L398-L464 HydrophobicContact CD1-CD2 3.81Å; L398-L464 HydrophobicContact CD1-CG 3.99Å; L398-L467 HydrophobicContact CD1-CD1 3.77Å
399D84.6Confident80.3Confident63 Ų6367.2 Ų67.234%0.33735%0.35SS..Hα-helixtrans-62.2-44.7174.8-67.9-19.8000111.2V395 Y401 N403 P410V395-D399 PolarHBondContact O-N 2.89Å; D399-Y401 VanDerWaalsContact C-N 3.34Å; D399-Y401 PolarHBondContact O-N 3.28Å; D399-N403 VanDerWaalsContact O-CB 3.27Å; D399-N403 WeakPolarHBondContact O-CB 3.5Å; D399-N403 PolarHBondContact O-N 2.54Å; D399-P410 VanDerWaalsContact OD1-CD 3.27Å; D399-P410 WeakPolarHBondContact OD1-CD 3.48Å; D399-P410 WeakPolarHBondContact OD1-CG 3.44Å
400Y83.6Confident81.9Confident42 Ų4260.9 Ų60.917%0.16532%0.317CS..Hα-helixtrans-61-41.2172.9174.9-93000112M383 F391 M396 N403 K404M383-Y400 HydrophobicContact CE-CD2 4.41Å; M383-Y400 WeakPolarHBondContact O-CE2 3.44Å; F391-Y400 HydrophobicContact CE2-CD1 4.21Å; F391-Y400 AromaticContact CE2-CD2 3.75Å; F391-Y400 HydrophobicContact CE2-CD2 3.75Å; F391-Y400 HydrophobicContact CE2-CE2 4.21Å; F391-Y400 AromaticContact CE2-CG 3.74Å; F391-Y400 HydrophobicContact CE2-CG 3.74Å; F391-Y400 AromaticContact CZ-CD2 3.76Å; F391-Y400 HydrophobicContact CZ-CD2 3.76Å; F391-Y400 HydrophobicContact CZ-CE2 4.35Å; F391-Y400 HydrophobicContact CZ-CG 4.1Å; M396-Y400 VanDerWaalsContact O-CB 3.32Å; M396-Y400 WeakPolarHBondContact O-CB 3.45Å; M396-Y400 PolarHBondContact O-N 3.31Å; Y400-N403 PolarHBondContact O-N 3.08Å; Y400-K404 HydrophobicContact CE1-CD 4.03Å; Y400-K404 VanDerWaalsContact O-CB 3.22Å; Y400-K404 WeakPolarHBondContact O-CB 3.36Å; Y400-K404 PolarHBondContact O-N 3.45Å
401Y83.3Confident83Confident47 Ų4759.3 Ų59.318%0.18431%0.31CS..Hα-helixtrans-65.1-47.7179.3-172.9-82.6000111.7H397 L398 D399 K404 N405 W407 L464 L467H397-Y401 VanDerWaalsContact O-CB 3.23Å; H397-Y401 WeakPolarHBondContact O-CB 3.44Å; H397-Y401 PolarHBondContact O-N 3.3Å; L398-Y401 PolarHBondContact O-N 3.28Å; D399-Y401 VanDerWaalsContact C-N 3.34Å; D399-Y401 PolarHBondContact O-N 3.28Å; Y401-K404 PolarHBondContact O-N 3.08Å; Y401-N405 WeakPolarHBondContact CE1-ND2 3.42Å; Y401-N405 PolarHBondContact O-N 3.4Å; Y401-N405 PolarHBondContact O-ND2 3.48Å; Y401-W407 HydrophobicContact CD1-CZ3 4.2Å; Y401-W407 HydrophobicContact CE1-CH2 4.08Å; Y401-W407 AromaticContact CE1-CZ3 3.77Å; Y401-W407 HydrophobicContact CE1-CZ3 3.77Å; Y401-L464 HydrophobicContact CD2-CD2 4.39Å; Y401-L464 HydrophobicContact CG-CD2 4.18Å; Y401-L467 HydrophobicContact CD1-CD1 3.89Å; Y401-L467 HydrophobicContact CE1-CB 4.22Å; Y401-L467 HydrophobicContact CE1-CD1 3.82Å
402C84.1Confident83.9Confident1 Ų161.2 Ų61.21%0.00732%0.317CS..Hα-helixtrans-59.5-49.6174.8-72.10000110.8L398 K404 N405 N406 W407L398-C402 PolarHBondContact O-N 2.76Å; L398-C402 PolarHBondContact O-SG 3.25Å; C402-K404 PolarHBondContact O-N 3.32Å; C402-N405 CarbonylContact O-C 3.56Å; C402-N405 PolarHBondContact O-N 2.95Å; C402-N405 VanDerWaalsContact O-N 3.09Å; C402-N406 PolarHBondContact O-N 3.5Å; C402-W407 HydrophobicContact CB-CB 4.13Å; C402-W407 PolarHBondContact O-N 3.25Å
403N81.7Confident85.1Confident64 Ų6458.5 Ų58.534%0.34230%0.295SS..Hα-helixtrans-61.7-39.8179.9-174.980.1000112.6Y384 D399 Y400 N405 N406Y384-N403 WeakPolarHBondContact CE1-ND2 3.3Å; Y384-N403 VanDerWaalsContact CZ-ND2 3.28Å; Y384-N403 PolarHBondContact OH-ND2 3.09Å; Y384-N403 VanDerWaalsContact OH-ND2 3.07Å; D399-N403 VanDerWaalsContact O-CB 3.27Å; D399-N403 WeakPolarHBondContact O-CB 3.5Å; D399-N403 PolarHBondContact O-N 2.54Å; Y400-N403 PolarHBondContact O-N 3.08Å; N403-N405 PolarHBondContact O-N 3.3Å; N403-N406 PolarHBondContact O-N 3.11Å; N403-N406 VanDerWaalsContact O-N 3.13Å
404K81.1Confident85.5Confident135 Ų13560.6 Ų60.659%0.58730%0.304SS*.Hα-helixtrans-62.8-30175.5-177.9178.6176.4-174.70113.1Y400 Y401 C402Y400-K404 HydrophobicContact CE1-CD 4.03Å; Y400-K404 VanDerWaalsContact O-CB 3.22Å; Y400-K404 WeakPolarHBondContact O-CB 3.36Å; Y400-K404 PolarHBondContact O-N 3.45Å; Y401-K404 PolarHBondContact O-N 3.08Å; C402-K404 PolarHBondContact O-N 3.32Å
405N80.9Confident85.9Confident63 Ų6365.2 Ų65.234%0.33732%0.32SS..THydrogen-bonded Turntrans-92.49.3177.4-70.3-77.9000113.3Y401 C402 N403 W407Y401-N405 WeakPolarHBondContact CE1-ND2 3.42Å; Y401-N405 PolarHBondContact O-N 3.4Å; Y401-N405 PolarHBondContact O-ND2 3.48Å; C402-N405 CarbonylContact O-C 3.56Å; C402-N405 PolarHBondContact O-N 2.95Å; C402-N405 VanDerWaalsContact O-N 3.09Å; N403-N405 PolarHBondContact O-N 3.3Å; N405-W407 HydrophobicContact CB-CD2 3.82Å; N405-W407 HydrophobicContact CB-CE3 4.37Å; N405-W407 HydrophobicContact CB-CG 4.03Å; N405-W407 HydrophobicContact CB-CZ2 4.17Å; N405-W407 PolarHBondContact O-N 3.39Å; N405-W407 PolarHBondContact O-NE1 2.91Å
406N83Confident86.1Confident145 Ų14568.5 Ų68.578%0.77534%0.344SS*.THydrogen-bonded Turntrans54.831.5-172.2-60.9-55.1000113.7C402 N403C402-N406 PolarHBondContact O-N 3.5Å; N403-N406 PolarHBondContact O-N 3.11Å; N403-N406 VanDerWaalsContact O-N 3.13Å
407W83.5Confident86.3Confident67 Ų6767.7 Ų67.725%0.25434%0.344SS..PPolyproline II helixtrans-89.1150.2174.1-61-11.7000110.7Y401 C402 N405 I432 A434 I435 L467Y401-W407 HydrophobicContact CD1-CZ3 4.2Å; Y401-W407 HydrophobicContact CE1-CH2 4.08Å; Y401-W407 AromaticContact CE1-CZ3 3.77Å; Y401-W407 HydrophobicContact CE1-CZ3 3.77Å; C402-W407 HydrophobicContact CB-CB 4.13Å; C402-W407 PolarHBondContact O-N 3.25Å; N405-W407 HydrophobicContact CB-CD2 3.82Å; N405-W407 HydrophobicContact CB-CE3 4.37Å; N405-W407 HydrophobicContact CB-CG 4.03Å; N405-W407 HydrophobicContact CB-CZ2 4.17Å; N405-W407 PolarHBondContact O-N 3.39Å; N405-W407 PolarHBondContact O-NE1 2.91Å; W407-I432 HydrophobicContact CB-CG2 4.48Å; W407-I432 HydrophobicContact CD2-CG2 4.36Å; W407-I432 HydrophobicContact CE3-CG2 3.77Å; W407-I432 HydrophobicContact CZ3-CG2 4.4Å; W407-A434 HydrophobicContact CB-CB 3.77Å; W407-A434 VanDerWaalsContact CD1-CB 3.49Å; W407-A434 HydrophobicContact CD2-CB 4.06Å; W407-A434 HydrophobicContact CG-CB 3.49Å; W407-A434 VanDerWaalsContact CG-CB 3.49Å; W407-I435 HydrophobicContact CH2-CG2 4Å; W407-I435 HydrophobicContact CZ2-CG2 3.93Å; W407-I435 HydrophobicContact CZ3-CD1 4.38Å; W407-I435 HydrophobicContact CZ3-CG2 4.41Å; W407-L467 HydrophobicContact CH2-CD2 4.22Å; W407-L467 HydrophobicContact CZ3-CD1 4.27Å; W407-L467 HydrophobicContact CZ3-CD2 3.93Å
408A82.1Confident86.7Confident47 Ų4769.8 Ų69.839%0.38836%0.361SS..PPolyproline II helixtrans-57.5151.1168.300000110.8P433A408-P433 HydrophobicContact CB-CB 4.39Å; A408-P433 HydrophobicContact CB-CG 4.25Å
409P83.1Confident86.5Confident99 Ų9971.6 Ų71.664%0.64337%0.373SS*.PPolyproline II helixtrans-53.4146.2176.8-26.435.1000112.5
410P89.8Confident86.2Confident10 Ų1078.2 Ų78.27%0.06540%0.402CS..PPolyproline II helixtrans-65.2133175.927.1-33.4000111.4L398 D399 Y412 I430 I432L398-P410 HydrophobicContact CD2-CB 4.02Å; L398-P410 HydrophobicContact CD2-CG 4.1Å; L398-P410 HydrophobicContact CG-CB 4.35Å; L398-P410 HydrophobicContact CG-CG 4.07Å; D399-P410 VanDerWaalsContact OD1-CD 3.27Å; D399-P410 WeakPolarHBondContact OD1-CD 3.48Å; D399-P410 WeakPolarHBondContact OD1-CG 3.44Å; P410-Y412 HydrophobicContact CB-CE2 4.11Å; P410-Y412 HydrophobicContact CG-CE2 3.8Å; P410-Y412 VanDerWaalsContact O-CD2 3.29Å; P410-Y412 WeakPolarHBondContact O-CD2 3.49Å; P410-Y412 WeakPolarHBondContact O-CE2 3.24Å; P410-I430 HydrophobicContact CB-CG2 3.77Å; P410-I432 HydrophobicContact CB-CG1 4.17Å
411E90.3Very high86.1Confident85 Ų8581.9 Ų81.940%0.39742%0.424SS..EExtended strand (participates in β ladder)trans-91.7126.2177.3-64.9177.3177.100110.2Y413 I430 V431 P433E411-Y413 HydrophobicContact CB-CD2 4.5Å; E411-Y413 HydrophobicContact CB-CE2 3.77Å; E411-Y413 PolarHBondContact OE2-OH 3.15Å; E411-I430 CarbonylContact O-C 3.6Å; E411-I430 VanDerWaalsContact O-CA 3.31Å; E411-I430 WeakPolarHBondContact O-CA 3.43Å; E411-V431 HydrophobicContact CB-CB 4.37Å; E411-V431 PolarHBondContact N-O 2.96Å; E411-V431 PolarHBondContact O-N 3.18Å; E411-P433 HydrophobicContact CG-CG 4.44Å
412Y92.6Very high86Confident50 Ų5082.4 Ų82.420%0.19644%0.444CS..EExtended strand (participates in β ladder)trans-107.1116.4-175.6-66.8-99.7000111.1P410 Y428 I430 K456P410-Y412 HydrophobicContact CB-CE2 4.11Å; P410-Y412 HydrophobicContact CG-CE2 3.8Å; P410-Y412 VanDerWaalsContact O-CD2 3.29Å; P410-Y412 WeakPolarHBondContact O-CD2 3.49Å; P410-Y412 WeakPolarHBondContact O-CE2 3.24Å; Y412-Y428 HydrophobicContact CD1-CD1 4.27Å; Y412-I430 HydrophobicContact CD1-CD1 3.72Å; Y412-I430 HydrophobicContact CD1-CG1 3.7Å; Y412-I430 HydrophobicContact CE1-CD1 3.28Å; Y412-I430 HydrophobicContact CE1-CG1 3.81Å; Y412-I430 HydrophobicContact CG-CG1 4.41Å; Y412-K456 HydrophobicContact CD1-CD 4.23Å; Y412-K456 HydrophobicContact CD1-CG 3.65Å; Y412-K456 HydrophobicContact CE1-CD 4.35Å; Y412-K456 HydrophobicContact CE1-CG 3.71Å
413Y93Very high86Confident108 Ų10888.1 Ų88.142%0.42447%0.469SS..EExtended strand (participates in β ladder)trans-108.7115.8177.3-63.9-89.3000110.2E411 Y428 K429 V431E411-Y413 HydrophobicContact CB-CD2 4.5Å; E411-Y413 HydrophobicContact CB-CE2 3.77Å; E411-Y413 PolarHBondContact OE2-OH 3.15Å; Y413-Y428 WeakPolarHBondContact O-CA 3.44Å; Y413-K429 PolarHBondContact N-O 2.88Å; Y413-K429 PolarHBondContact O-N 2.98Å; Y413-V431 HydrophobicContact CD2-CG2 4.15Å; Y413-V431 HydrophobicContact CE2-CB 4.21Å; Y413-V431 HydrophobicContact CE2-CG2 3.91Å
414L93Very high86.3Confident74 Ų7489.1 Ų89.139%0.38748%0.477SS..EExtended strand (participates in β ladder)trans-86.8132.1-179.7-178.257.1000111.1L426 Y428 L452L414-L426 HydrophobicContact CD1-CB 4.13Å; L414-L426 HydrophobicContact CD1-CD2 4.27Å; L414-Y428 HydrophobicContact CB-CD1 4.1Å; L414-Y428 HydrophobicContact CB-CE1 3.6Å; L414-Y428 HydrophobicContact CD1-CD1 4.48Å; L414-Y428 HydrophobicContact CD1-CD2 3.94Å; L414-Y428 HydrophobicContact CD1-CE1 4.28Å; L414-Y428 HydrophobicContact CD1-CE2 3.73Å; L414-Y428 HydrophobicContact CD1-CG 4.35Å; L414-Y428 HydrophobicContact CG-CE1 4.42Å; L414-L452 HydrophobicContact CD2-CD1 4.04Å
415Y92.4Very high86.9Confident107 Ų10784.3 Ų84.342%0.4246%0.457SS..EExtended strand (participates in β ladder)trans-121152.8169.3-61.1-90000110L426 V427 K429 M444Y415-L426 WeakPolarHBondContact O-CA 3.49Å; Y415-V427 PolarHBondContact N-O 2.88Å; Y415-V427 PolarHBondContact O-N 3.04Å; Y415-K429 HydrophobicContact CD2-CB 4.26Å; Y415-K429 HydrophobicContact CE2-CB 3.72Å; Y415-K429 HydrophobicContact CE2-CD 3.96Å; Y415-M444 HydrophobicContact CD2-CE 4.38Å
416S92.9Very high87.4Confident88 Ų8882.5 Ų82.562%0.61545%0.448SS*.EExtended strand (participates in β ladder)trans-134.8154.3176.865.80000112.2L425S416-L425 CarbonylContact C-O 3.57Å; S416-L425 WeakPolarHBondContact CA-O 3.3Å
417T89.5Confident87.9Confident70 Ų7076 Ų7643%0.42941%0.413SS..EExtended strand (participates in β ladder)trans-146.3165.2170.9-172.20000109.5L425 L448T417-L425 HydrophobicContact CG2-CB 4.01Å; T417-L425 PolarHBondContact N-O 3.2Å; T417-L425 PolarHBondContact O-N 2.75Å; T417-L448 HydrophobicContact CG2-CD1 3.55Å
418T90.4Very high88.4Confident101 Ų10173.8 Ų73.862%0.6241%0.405SS*.EExtended strand (participates in β ladder)trans-106.3128178.350.10000110.9K423T418-K423 WeakPolarHBondContact CA-O 3.37Å
419S81.5Confident88.9Confident38 Ų3873.9 Ų73.927%0.26640%0.397SS..  trans-63.3163.1169.2-169.20000111.5D421 G422 K423S419-D421 PolarHBondContact O-N 3.39Å; S419-G422 PolarHBondContact O-N 2.78Å; S419-K423 PolarHBondContact N-O 3.06Å
420Q79.6Confident89.3Confident201 Ų20169.2 Ų69.294%0.93937%0.366SS*.THydrogen-bonded Turntrans-57-30.3172.7-63.5177.80.300111.9G422Q420-G422 PolarHBondContact O-N 3.49Å
421D80.3Confident89.3Confident119 Ų11969.8 Ų69.864%0.63637%0.369SS*.THydrogen-bonded Turntrans-79.99.2174.3-52-32000114.3S419 K423S419-D421 PolarHBondContact O-N 3.39Å; D421-K423 HydrophobicContact CB-CD 4.45Å; D421-K423 HydrophobicContact CB-CG 4.42Å; D421-K423 PolarHBondContact O-N 2.95Å; D421-K423 IonicContact OD2-NZ 3.84Å
422G82Confident89.3Confident58 Ų5865.8 Ų65.860%0.59835%0.351SS*.SBendtrans732.2-176.600000115.8S419 Q420S419-G422 PolarHBondContact O-N 2.78Å; Q420-G422 PolarHBondContact O-N 3.49Å
423K83.4Confident88.7Confident122 Ų12265.8 Ų65.853%0.5336%0.357SS..  trans-72.8134.9176.5-65.8171.4-173.1152.70111.2T418 S419 D421T418-K423 WeakPolarHBondContact CA-O 3.37Å; S419-K423 PolarHBondContact N-O 3.06Å; D421-K423 HydrophobicContact CB-CD 4.45Å; D421-K423 HydrophobicContact CB-CG 4.42Å; D421-K423 PolarHBondContact O-N 2.95Å; D421-K423 IonicContact OD2-NZ 3.84Å
424V89.1Confident87.9Confident84 Ų8463.2 Ų63.251%0.50936%0.358SS..EExtended strand (participates in β ladder)trans-72.1131.6171.1-177.40000109.6L426V424-L426 HydrophobicContact CG1-CD2 3.83Å; V424-L426 HydrophobicContact CG1-CG 4.42Å
425L91.9Very high87.1Confident34 Ų3462.5 Ų62.518%0.17835%0.354CS..EExtended strand (participates in β ladder)trans-118.1137.3176.5-61.8-179.8000108.7S416 T417 L448 C449 T450S416-L425 CarbonylContact C-O 3.57Å; S416-L425 WeakPolarHBondContact CA-O 3.3Å; T417-L425 HydrophobicContact CG2-CB 4.01Å; T417-L425 PolarHBondContact N-O 3.2Å; T417-L425 PolarHBondContact O-N 2.75Å; L425-L448 HydrophobicContact CB-CB 3.91Å; L425-L448 HydrophobicContact CB-CD1 3.96Å; L425-L448 HydrophobicContact CD1-CB 4.41Å; L425-L448 HydrophobicContact CD1-CD1 3.79Å; L425-C449 CarbonylContact C-O 3.58Å; L425-C449 WeakPolarHBondContact CA-O 3.22Å; L425-T450 HydrophobicContact CD2-CG2 3.88Å
426L91.6Very high85.9Confident25 Ų2558.6 Ų58.613%0.13134%0.344CS..EExtended strand (participates in β ladder)trans-122.9146.8-168.4-61.2-179.6000111.2L414 Y415 V424 L448 C449 L452 A455L414-L426 HydrophobicContact CD1-CB 4.13Å; L414-L426 HydrophobicContact CD1-CD2 4.27Å; Y415-L426 WeakPolarHBondContact O-CA 3.49Å; V424-L426 HydrophobicContact CG1-CD2 3.83Å; V424-L426 HydrophobicContact CG1-CG 4.42Å; L426-L448 CarbonylContact O-C 3.6Å; L426-L448 WeakPolarHBondContact O-CA 3.29Å; L426-C449 PolarHBondContact N-O 3.03Å; L426-C449 PolarHBondContact O-N 3.17Å; L426-L452 HydrophobicContact CD1-CB 4.18Å; L426-A455 HydrophobicContact CB-CB 4.03Å
427V93.4Very high84.3Confident8 Ų862 Ų625%0.04836%0.355CS..EExtended strand (participates in β ladder)trans-149.9138.6172.758.40000110.7Y415 M444 P445 L448Y415-V427 PolarHBondContact N-O 2.88Å; Y415-V427 PolarHBondContact O-N 3.04Å; V427-M444 HydrophobicContact CB-CE 4.45Å; V427-M444 HydrophobicContact CG1-CE 3.55Å; V427-M444 HydrophobicContact CG2-CE 4Å; V427-M444 HydrophobicContact CG2-CG 4.16Å; V427-P445 HydrophobicContact CG2-CG 4.05Å; V427-L448 HydrophobicContact CB-CD2 3.77Å; V427-L448 HydrophobicContact CG1-CD2 3.65Å
428Y94.7Very high82.8Confident22 Ų2261.8 Ų61.89%0.08637%0.367CS..EExtended strand (participates in β ladder)trans-99.2134.5173.2-86.6-80.8000111.6Y412 Y413 L414 P445 L452 A455 K456 A459Y412-Y428 HydrophobicContact CD1-CD1 4.27Å; Y413-Y428 WeakPolarHBondContact O-CA 3.44Å; L414-Y428 HydrophobicContact CB-CD1 4.1Å; L414-Y428 HydrophobicContact CB-CE1 3.6Å; L414-Y428 HydrophobicContact CD1-CD1 4.48Å; L414-Y428 HydrophobicContact CD1-CD2 3.94Å; L414-Y428 HydrophobicContact CD1-CE1 4.28Å; L414-Y428 HydrophobicContact CD1-CE2 3.73Å; L414-Y428 HydrophobicContact CD1-CG 4.35Å; L414-Y428 HydrophobicContact CG-CE1 4.42Å; Y428-P445 WeakPolarHBondContact O-CD 3.44Å; Y428-L452 HydrophobicContact CE2-CD2 4.28Å; Y428-L452 HydrophobicContact CE2-CG 4.12Å; Y428-A455 HydrophobicContact CD2-CB 3.83Å; Y428-A455 HydrophobicContact CE2-CB 4.35Å; Y428-K456 VanDerWaalsContact CD2-CA 3.48Å; Y428-K456 HydrophobicContact CD2-CB 3.68Å; Y428-K456 HydrophobicContact CD2-CG 4.09Å; Y428-K456 HydrophobicContact CE2-CB 3.63Å; Y428-K456 HydrophobicContact CE2-CD 4.47Å; Y428-K456 HydrophobicContact CE2-CG 4.02Å; Y428-K456 HydrophobicContact CG-CB 4.47Å; Y428-K456 HydrophobicContact CG-CG 4.46Å; Y428-A459 VanDerWaalsContact O-CB 3.29Å; Y428-A459 WeakPolarHBondContact O-CB 3.36Å
429K91.9Very high81.2Confident49 Ų4963.2 Ų63.221%0.21338%0.381CS..EExtended strand (participates in β ladder)trans-98.2131.6162.3174-170.2176.5-172.20108Y413 Y415 Y442 F443 M444Y413-K429 PolarHBondContact N-O 2.88Å; Y413-K429 PolarHBondContact O-N 2.98Å; Y415-K429 HydrophobicContact CD2-CB 4.26Å; Y415-K429 HydrophobicContact CE2-CB 3.72Å; Y415-K429 HydrophobicContact CE2-CD 3.96Å; K429-Y442 HydrophobicContact CD-CD2 4.15Å; K429-Y442 HydrophobicContact CD-CG 4.25Å; K429-Y442 HydrophobicContact CG-CD2 3.9Å; K429-Y442 HydrophobicContact CG-CG 4.18Å; K429-F443 CarbonylContact C-O 3.56Å; K429-F443 WeakPolarHBondContact CA-O 3.41Å; K429-M444 HydrophobicContact CB-CB 4.24Å; K429-M444 HydrophobicContact CB-CG 4.21Å; K429-M444 HydrophobicContact CB-SD 4.14Å; K429-M444 HydrophobicContact CG-CB 4.38Å
430I92.5Very high80.1Confident0 Ų066.1 Ų66.10%039%0.39CS..EExtended strand (participates in β ladder)trans-108.8133.7176.3-61.8-178.2000109.8L398 P410 E411 Y412 I432 Y442 F443 A459 A460 T463L398-I430 HydrophobicContact CD2-CD1 3.84Å; L398-I430 HydrophobicContact CD2-CG2 4.2Å; P410-I430 HydrophobicContact CB-CG2 3.77Å; E411-I430 CarbonylContact O-C 3.6Å; E411-I430 VanDerWaalsContact O-CA 3.31Å; E411-I430 WeakPolarHBondContact O-CA 3.43Å; Y412-I430 HydrophobicContact CD1-CD1 3.72Å; Y412-I430 HydrophobicContact CD1-CG1 3.7Å; Y412-I430 HydrophobicContact CE1-CD1 3.28Å; Y412-I430 HydrophobicContact CE1-CG1 3.81Å; Y412-I430 HydrophobicContact CG-CG1 4.41Å; I430-I432 HydrophobicContact CG2-CG1 4.32Å; I430-Y442 CarbonylContact O-C 3.57Å; I430-Y442 WeakPolarHBondContact O-CA 3.46Å; I430-F443 PolarHBondContact N-O 3.49Å; I430-F443 PolarHBondContact O-N 2.85Å; I430-A459 VanDerWaalsContact CD1-C 3.44Å; I430-A459 HydrophobicContact CD1-CB 3.81Å; I430-A459 WeakPolarHBondContact CD1-O 3.38Å; I430-A459 HydrophobicContact CG1-CB 4.03Å; I430-A460 HydrophobicContact CD1-CB 4.26Å; I430-T463 HydrophobicContact CG2-CG2 4.28Å
431V89.8Confident79.6Confident22 Ų2259.3 Ų59.313%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-116.5133.8170.6177.90000108.1E411 Y413 A436E411-V431 HydrophobicContact CB-CB 4.37Å; E411-V431 PolarHBondContact N-O 2.96Å; E411-V431 PolarHBondContact O-N 3.18Å; Y413-V431 HydrophobicContact CD2-CG2 4.15Å; Y413-V431 HydrophobicContact CE2-CB 4.21Å; Y413-V431 HydrophobicContact CE2-CG2 3.91Å; V431-A436 HydrophobicContact CG1-CB 4.43Å
432I89.1Confident79.7Confident1 Ų158.7 Ų58.71%0.00536%0.355CS..  trans-113.6105.9172.7-64.4170.9000106.3L398 W407 P410 I430 A434 I435 A436 F443 T463 L467L398-I432 HydrophobicContact CD1-CD1 4.22Å; W407-I432 HydrophobicContact CB-CG2 4.48Å; W407-I432 HydrophobicContact CD2-CG2 4.36Å; W407-I432 HydrophobicContact CE3-CG2 3.77Å; W407-I432 HydrophobicContact CZ3-CG2 4.4Å; P410-I432 HydrophobicContact CB-CG1 4.17Å; I430-I432 HydrophobicContact CG2-CG1 4.32Å; I432-A434 HydrophobicContact CG2-CB 4.41Å; I432-A434 PolarHBondContact O-N 3.23Å; I432-I435 HydrophobicContact CB-CD1 3.98Å; I432-I435 HydrophobicContact CB-CG1 3.79Å; I432-I435 HydrophobicContact CD1-CD1 4.18Å; I432-I435 HydrophobicContact CG2-CD1 4.14Å; I432-I435 HydrophobicContact CG2-CG1 3.89Å; I432-I435 WeakPolarHBondContact O-CG1 3.4Å; I432-I435 PolarHBondContact O-N 3.12Å; I432-I435 VanDerWaalsContact O-N 3.07Å; I432-A436 PolarHBondContact O-N 2.92Å; I432-F443 HydrophobicContact CD1-CE2 4.31Å; I432-T463 HydrophobicContact CD1-CG2 3.71Å; I432-L467 HydrophobicContact CD1-CD1 3.82Å; I432-L467 HydrophobicContact CD1-CD2 4.25Å
433P81.4Confident80Confident50 Ų5056.2 Ų56.233%0.32533%0.327SS..G310 helixtrans-54.9-32.1-171.2-30.336.2000114.3A408 E411 I435A408-P433 HydrophobicContact CB-CB 4.39Å; A408-P433 HydrophobicContact CB-CG 4.25Å; E411-P433 HydrophobicContact CG-CG 4.44Å; P433-I435 PolarHBondContact O-N 3.17Å
434A76.3Confident80.3Confident54 Ų5453.5 Ų53.545%0.44632%0.317SS..G310 helixtrans-66.3-18.2-178.900000115.1W407 I432W407-A434 HydrophobicContact CB-CB 3.77Å; W407-A434 VanDerWaalsContact CD1-CB 3.49Å; W407-A434 HydrophobicContact CD2-CB 4.06Å; W407-A434 HydrophobicContact CG-CB 3.49Å; W407-A434 VanDerWaalsContact CG-CB 3.49Å; I432-A434 HydrophobicContact CG2-CB 4.41Å; I432-A434 PolarHBondContact O-N 3.23Å
435I76.3Confident80.3Confident60 Ų6050 Ų5031%0.30830%0.296SS..G310 helixtrans-126.75.6-174.561.6177.3000113.9W407 I432 P433 N437 F443 L467W407-I435 HydrophobicContact CH2-CG2 4Å; W407-I435 HydrophobicContact CZ2-CG2 3.93Å; W407-I435 HydrophobicContact CZ3-CD1 4.38Å; W407-I435 HydrophobicContact CZ3-CG2 4.41Å; I432-I435 HydrophobicContact CB-CD1 3.98Å; I432-I435 HydrophobicContact CB-CG1 3.79Å; I432-I435 HydrophobicContact CD1-CD1 4.18Å; I432-I435 HydrophobicContact CG2-CD1 4.14Å; I432-I435 HydrophobicContact CG2-CG1 3.89Å; I432-I435 WeakPolarHBondContact O-CG1 3.4Å; I432-I435 PolarHBondContact O-N 3.12Å; I432-I435 VanDerWaalsContact O-N 3.07Å; P433-I435 PolarHBondContact O-N 3.17Å; I435-N437 PolarHBondContact O-N 3.21Å; I435-N437 VanDerWaalsContact O-N 3.12Å; I435-F443 HydrophobicContact CD1-CE2 3.81Å; I435-F443 HydrophobicContact CD1-CZ 3.82Å; I435-L467 HydrophobicContact CD1-CD2 3.4Å
436A67Low79.9Confident24 Ų2456.2 Ų56.220%0.19833%0.329CS..  trans-73.3-2-17200000115.3V431 I432 G438 S441V431-A436 HydrophobicContact CG1-CB 4.43Å; I432-A436 PolarHBondContact O-N 2.92Å; A436-G438 PolarHBondContact O-N 2.84Å; A436-S441 VanDerWaalsContact O-CB 3.26Å; A436-S441 WeakPolarHBondContact O-CB 3.33Å
437N57.8Low79.6Confident160 Ų16061.5 Ų61.586%0.85635%0.351SS*.SBendtrans-93.347.9-160.4-72.9-4.4000116.2I435I435-N437 PolarHBondContact O-N 3.21Å; I435-N437 VanDerWaalsContact O-N 3.12Å
438G58.7Low79.4Confident66 Ų6665.1 Ų65.168%0.6837%0.37SS*.SBendtrans156.7-7.6155.700000122.4A436A436-G438 PolarHBondContact O-N 2.84Å
439S56.6Low79.1Confident131 Ų13165 Ų6592%0.91637%0.372SS*.SBendtrans-148.4-32.4179.3-55.40000115.9
440Q59.8Low78.8Confident98 Ų9867.3 Ų67.346%0.45839%0.39SS..  trans-142.486.7169.9-170.5162.51000108.2Y442Q440-Y442 WeakPolarHBondContact CG-O 3.45Å; Q440-Y442 PolarHBondContact O-N 3.48Å
441S67.8Low78.7Confident58 Ų5869.6 Ų69.641%0.40641%0.405SS..  trans-78.4-0.8-172.454.40000114.3A436A436-S441 VanDerWaalsContact O-CB 3.26Å; A436-S441 WeakPolarHBondContact O-CB 3.33Å
442Y82.6Confident78.6Confident107 Ų10771.8 Ų71.842%0.4242%0.415SS..  trans-157.4159.3-17965.4-86.5000111.7K429 I430 Q440 M444K429-Y442 HydrophobicContact CD-CD2 4.15Å; K429-Y442 HydrophobicContact CD-CG 4.25Å; K429-Y442 HydrophobicContact CG-CD2 3.9Å; K429-Y442 HydrophobicContact CG-CG 4.18Å; I430-Y442 CarbonylContact O-C 3.57Å; I430-Y442 WeakPolarHBondContact O-CA 3.46Å; Q440-Y442 WeakPolarHBondContact CG-O 3.45Å; Q440-Y442 PolarHBondContact O-N 3.48Å; Y442-M444 HydrophobicContact CD2-CB 4.02Å; Y442-M444 HydrophobicContact CE2-CB 4.18Å
443F88.1Confident78.5Confident6 Ų677.7 Ų77.73%0.02644%0.443CS..BIsolated β-bridgetrans-120.6122.5176.1-55.4-85.7000108K429 I430 I432 I435 F462 T463 H466 L467K429-F443 CarbonylContact C-O 3.56Å; K429-F443 WeakPolarHBondContact CA-O 3.41Å; I430-F443 PolarHBondContact N-O 3.49Å; I430-F443 PolarHBondContact O-N 2.85Å; I432-F443 HydrophobicContact CD1-CE2 4.31Å; I435-F443 HydrophobicContact CD1-CE2 3.81Å; I435-F443 HydrophobicContact CD1-CZ 3.82Å; F443-F462 HydrophobicContact CB-CD1 4.05Å; F443-F462 HydrophobicContact CB-CE1 4.16Å; F443-T463 HydrophobicContact CB-CG2 4.16Å; F443-T463 VanDerWaalsContact CB-OG1 3.24Å; F443-T463 WeakPolarHBondContact CB-OG1 3.21Å; F443-T463 HydrophobicContact CD1-CG2 4.45Å; F443-T463 HydrophobicContact CD2-CG2 3.66Å; F443-T463 HydrophobicContact CE2-CG2 4.19Å; F443-T463 HydrophobicContact CG-CG2 3.82Å; F443-H466 HydrophobicContact CD1-CB 3.74Å; F443-H466 HydrophobicContact CE1-CB 3.65Å; F443-L467 HydrophobicContact CZ-CD2 4.14Å
444M90.9Very high78.6Confident65 Ų6579.5 Ų79.532%0.3245%0.45SS..  trans-144.9123.6-178.9-175.1175.917500107.7Y415 V427 K429 Y442 F462Y415-M444 HydrophobicContact CD2-CE 4.38Å; V427-M444 HydrophobicContact CB-CE 4.45Å; V427-M444 HydrophobicContact CG1-CE 3.55Å; V427-M444 HydrophobicContact CG2-CE 4Å; V427-M444 HydrophobicContact CG2-CG 4.16Å; K429-M444 HydrophobicContact CB-CB 4.24Å; K429-M444 HydrophobicContact CB-CG 4.21Å; K429-M444 HydrophobicContact CB-SD 4.14Å; K429-M444 HydrophobicContact CG-CB 4.38Å; Y442-M444 HydrophobicContact CD2-CB 4.02Å; Y442-M444 HydrophobicContact CE2-CB 4.18Å; M444-F462 WeakPolarHBondContact O-CE1 3.44Å; M444-F462 WeakPolarHBondContact O-CZ 3.31Å
445P88.6Confident79.3Confident9 Ų977 Ų776%0.05843%0.429CS..  trans-78.7146179.431.7-32.9000111.2V427 Y428 K447 L458 A459 F462V427-P445 HydrophobicContact CG2-CG 4.05Å; Y428-P445 WeakPolarHBondContact O-CD 3.44Å; P445-K447 PolarHBondContact O-N 2.97Å; P445-L458 HydrophobicContact CB-CG 4.34Å; P445-L458 HydrophobicContact CG-CD2 4.42Å; P445-L458 HydrophobicContact CG-CG 4.21Å; P445-A459 HydrophobicContact CG-CB 4.39Å; P445-F462 HydrophobicContact CB-CB 4.15Å; P445-F462 HydrophobicContact CB-CD2 3.83Å; P445-F462 HydrophobicContact CB-CE2 4.36Å; P445-F462 HydrophobicContact CB-CG 3.96Å
446D84.4Confident79.9Confident165 Ų16577.3 Ų77.388%0.88243%0.428SS*.SBendtrans-74.48.7177.9-53.7-49.4000114
447K84.2Confident81.1Confident136 Ų13678.3 Ų78.359%0.59143%0.429SS*.  trans-114.4133-176.8-74.8-176.4-179-177.90110.3P445 L458P445-K447 PolarHBondContact O-N 2.97Å; K447-L458 HydrophobicContact CB-CD2 3.84Å
448L89.2Confident82.5Confident84 Ų8473 Ų7344%0.4440%0.4SS..  trans-97.1147.1175.9-47.9171.8000110.4T417 L425 L426 V427T417-L448 HydrophobicContact CG2-CD1 3.55Å; L425-L448 HydrophobicContact CB-CB 3.91Å; L425-L448 HydrophobicContact CB-CD1 3.96Å; L425-L448 HydrophobicContact CD1-CB 4.41Å; L425-L448 HydrophobicContact CD1-CD1 3.79Å; L426-L448 CarbonylContact O-C 3.6Å; L426-L448 WeakPolarHBondContact O-CA 3.29Å; V427-L448 HydrophobicContact CB-CD2 3.77Å; V427-L448 HydrophobicContact CG1-CD2 3.65Å
449C88.5Confident84Confident20 Ų2069.8 Ų69.814%0.13537%0.367CS..BIsolated β-bridgetrans-119159.8179.5-54.50000111.5L425 L426 D454 A455 L458L425-C449 CarbonylContact C-O 3.58Å; L425-C449 WeakPolarHBondContact CA-O 3.22Å; L426-C449 PolarHBondContact N-O 3.03Å; L426-C449 PolarHBondContact O-N 3.17Å; C449-D454 HydrophobicContact CB-CB 3.97Å; C449-A455 HydrophobicContact CB-CB 4Å; C449-L458 VanDerWaalsContact SG-CD2 3.58Å
450T86.4Confident85.6Confident97 Ų9763.6 Ų63.660%0.59532%0.324SS*.SBendtrans-93.1-8.9178.849.70000114.1L425L425-T450 HydrophobicContact CD2-CG2 3.88Å
451T88.8Confident86.9Confident49 Ų4963.7 Ų63.730%0.30132%0.324SS..SBendtrans-122.5160.3176.9780000109.9D454 A455T451-D454 WeakPolarHBondContact CG2-OD2 3.47Å; T451-D454 WeakPolarHBondContact OG1-CB 3.43Å; T451-D454 PolarHBondContact OG1-N 3.44Å; T451-D454 PolarHBondContact OG1-OD2 3.09Å; T451-A455 WeakPolarHBondContact O-CB 3.32Å; T451-A455 PolarHBondContact O-N 3.44Å
452L87.5Confident87.9Confident67 Ų6763.1 Ų63.135%0.35132%0.315SS..Hα-helixtrans-75.8-37.8179.6-176.1150.9000110.5L414 L426 Y428 A455 K456L414-L452 HydrophobicContact CD2-CD1 4.04Å; L426-L452 HydrophobicContact CD1-CB 4.18Å; Y428-L452 HydrophobicContact CE2-CD2 4.28Å; Y428-L452 HydrophobicContact CE2-CG 4.12Å; L452-A455 PolarHBondContact O-N 3.01Å; L452-K456 WeakPolarHBondContact O-CB 3.23Å; L452-K456 PolarHBondContact O-N 3.48Å
453E87.6Confident88.1Confident126 Ų12658 Ų5859%0.58930%0.295SS*.Hα-helixtrans-64.3-50.1-179.5-66.863.4-142.600110.8A455 K456 E457E453-A455 VanDerWaalsContact C-N 3.34Å; E453-A455 PolarHBondContact O-N 3.39Å; E453-K456 PolarHBondContact O-N 3.43Å; E453-E457 WeakPolarHBondContact O-CB 3.27Å; E453-E457 PolarHBondContact O-N 3.14Å
454D84.8Confident88Confident88 Ų8859.3 Ų59.347%0.47130%0.301SS..Hα-helixtrans-63.3-40.9177.7-63.5-43.5000111.3C449 T451 K456 L458C449-D454 HydrophobicContact CB-CB 3.97Å; T451-D454 WeakPolarHBondContact CG2-OD2 3.47Å; T451-D454 WeakPolarHBondContact OG1-CB 3.43Å; T451-D454 PolarHBondContact OG1-N 3.44Å; T451-D454 PolarHBondContact OG1-OD2 3.09Å; D454-K456 VanDerWaalsContact C-N 3.28Å; D454-K456 PolarHBondContact O-N 3.47Å; D454-L458 WeakPolarHBondContact O-CB 3.49Å; D454-L458 PolarHBondContact O-N 3.21Å
455A89.3Confident87.7Confident1 Ų161.7 Ų61.71%0.00832%0.315CS..Hα-helixtrans-60.7-38.7176.900000111.8L426 Y428 C449 T451 L452 E453 A459L426-A455 HydrophobicContact CB-CB 4.03Å; Y428-A455 HydrophobicContact CD2-CB 3.83Å; Y428-A455 HydrophobicContact CE2-CB 4.35Å; C449-A455 HydrophobicContact CB-CB 4Å; T451-A455 WeakPolarHBondContact O-CB 3.32Å; T451-A455 PolarHBondContact O-N 3.44Å; L452-A455 PolarHBondContact O-N 3.01Å; E453-A455 VanDerWaalsContact C-N 3.34Å; E453-A455 PolarHBondContact O-N 3.39Å; A455-A459 WeakPolarHBondContact O-CB 3.4Å; A455-A459 PolarHBondContact O-N 2.97Å
456K90Very high87.3Confident67 Ų6763.5 Ų63.529%0.29132%0.323SS..Hα-helixtrans-76.6-43.3-177.2-160.6-179.8178.8-176.30111.8V395 Y412 Y428 L452 E453 D454 A460V395-K456 HydrophobicContact CG2-CD 4.3Å; V395-K456 HydrophobicContact CG2-CG 3.96Å; Y412-K456 HydrophobicContact CD1-CD 4.23Å; Y412-K456 HydrophobicContact CD1-CG 3.65Å; Y412-K456 HydrophobicContact CE1-CD 4.35Å; Y412-K456 HydrophobicContact CE1-CG 3.71Å; Y428-K456 VanDerWaalsContact CD2-CA 3.48Å; Y428-K456 HydrophobicContact CD2-CB 3.68Å; Y428-K456 HydrophobicContact CD2-CG 4.09Å; Y428-K456 HydrophobicContact CE2-CB 3.63Å; Y428-K456 HydrophobicContact CE2-CD 4.47Å; Y428-K456 HydrophobicContact CE2-CG 4.02Å; Y428-K456 HydrophobicContact CG-CB 4.47Å; Y428-K456 HydrophobicContact CG-CG 4.46Å; L452-K456 WeakPolarHBondContact O-CB 3.23Å; L452-K456 PolarHBondContact O-N 3.48Å; E453-K456 PolarHBondContact O-N 3.43Å; D454-K456 VanDerWaalsContact C-N 3.28Å; D454-K456 PolarHBondContact O-N 3.47Å; K456-A460 WeakPolarHBondContact O-CB 3.29Å; K456-A460 PolarHBondContact O-N 3.27Å
457E91.4Very high87.1Confident44 Ų4456.1 Ų56.121%0.20628%0.283CS..Hα-helixtrans-59.1-48.8172.1-86-67.2137.400111.6S393 A394 V395 E453 A459 A460 Q461S393-E457 WeakPolarHBondContact CA-OE1 3.11Å; S393-E457 VanDerWaalsContact CB-OE1 3.24Å; S393-E457 WeakPolarHBondContact CB-OE1 3.18Å; S393-E457 PolarHBondContact OG-OE1 2.74Å; A394-E457 WeakPolarHBondContact CB-OE2 3.07Å; A394-E457 VanDerWaalsContact N-CD 3.34Å; A394-E457 PolarHBondContact N-OE1 2.89Å; A394-E457 PolarHBondContact N-OE2 3.45Å; V395-E457 PolarHBondContact N-OE1 3.19Å; E453-E457 WeakPolarHBondContact O-CB 3.27Å; E453-E457 PolarHBondContact O-N 3.14Å; E457-A459 VanDerWaalsContact C-N 3.34Å; E457-A459 PolarHBondContact O-N 2.88Å; E457-A460 PolarHBondContact O-N 3Å; E457-A460 VanDerWaalsContact O-N 3.15Å; E457-Q461 VanDerWaalsContact O-CG 3.3Å; E457-Q461 WeakPolarHBondContact O-CG 3.47Å; E457-Q461 PolarHBondContact O-N 3.28Å; E457-Q461 PolarHBondContact OE2-NE2 2.78Å
458L87.4Confident86.5Confident48 Ų4854 Ų5425%0.25128%0.278SS..Hα-helixtrans-60.9-42.1-179.4-177.661.5000112.3P445 K447 C449 D454 Q461 F462P445-L458 HydrophobicContact CB-CG 4.34Å; P445-L458 HydrophobicContact CG-CD2 4.42Å; P445-L458 HydrophobicContact CG-CG 4.21Å; K447-L458 HydrophobicContact CB-CD2 3.84Å; C449-L458 VanDerWaalsContact SG-CD2 3.58Å; D454-L458 WeakPolarHBondContact O-CB 3.49Å; D454-L458 PolarHBondContact O-N 3.21Å; L458-Q461 PolarHBondContact O-N 3.37Å; L458-F462 VanDerWaalsContact O-CB 3.3Å; L458-F462 WeakPolarHBondContact O-CB 3.24Å; L458-F462 PolarHBondContact O-N 2.83Å
459A90.1Very high85Confident0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-65.8-38.617600000112.3Y428 I430 P445 A455 E457 F462 T463Y428-A459 VanDerWaalsContact O-CB 3.29Å; Y428-A459 WeakPolarHBondContact O-CB 3.36Å; I430-A459 VanDerWaalsContact CD1-C 3.44Å; I430-A459 HydrophobicContact CD1-CB 3.81Å; I430-A459 WeakPolarHBondContact CD1-O 3.38Å; I430-A459 HydrophobicContact CG1-CB 4.03Å; P445-A459 HydrophobicContact CG-CB 4.39Å; A455-A459 WeakPolarHBondContact O-CB 3.4Å; A455-A459 PolarHBondContact O-N 2.97Å; E457-A459 VanDerWaalsContact C-N 3.34Å; E457-A459 PolarHBondContact O-N 2.88Å; A459-F462 PolarHBondContact O-N 2.87Å; A459-T463 WeakPolarHBondContact O-CB 3.42Å; A459-T463 PolarHBondContact O-N 3.07Å; A459-T463 PolarHBondContact O-OG1 3.12Å
460A90.4Very high83.5Confident0 Ų060 Ų600%030%0.299CS..Hα-helixtrans-66.6-42.7176.400000112A394 V395 L398 I430 K456 E457 T463 L464A394-A460 HydrophobicContact CB-CB 4.11Å; V395-A460 HydrophobicContact CG2-CB 3.95Å; L398-A460 HydrophobicContact CB-CB 4.39Å; L398-A460 HydrophobicContact CD2-CB 4.15Å; I430-A460 HydrophobicContact CD1-CB 4.26Å; K456-A460 WeakPolarHBondContact O-CB 3.29Å; K456-A460 PolarHBondContact O-N 3.27Å; E457-A460 PolarHBondContact O-N 3Å; E457-A460 VanDerWaalsContact O-N 3.15Å; A460-T463 PolarHBondContact O-N 3.07Å; A460-L464 WeakPolarHBondContact O-CG 3.2Å; A460-L464 PolarHBondContact O-N 3.01Å
461Q86.4Confident81.9Confident100 Ų10061.3 Ų61.347%0.46730%0.296SS..Hα-helixtrans-61-47.3174-67.6171.529.500111.8A394 E457 L458 T463 L464 L465A394-Q461 HydrophobicContact CB-CB 4.34Å; A394-Q461 HydrophobicContact CB-CG 3.25Å; E457-Q461 VanDerWaalsContact O-CG 3.3Å; E457-Q461 WeakPolarHBondContact O-CG 3.47Å; E457-Q461 PolarHBondContact O-N 3.28Å; E457-Q461 PolarHBondContact OE2-NE2 2.78Å; L458-Q461 PolarHBondContact O-N 3.37Å; Q461-T463 VanDerWaalsContact C-N 3.29Å; Q461-T463 PolarHBondContact O-N 2.8Å; Q461-L464 PolarHBondContact O-N 3.11Å; Q461-L465 PolarHBondContact O-N 3.33Å; Q461-L465 VanDerWaalsContact O-N 3.08Å
462F88.8Confident79.7Confident46 Ų4668.1 Ų68.120%0.20232%0.316CS..Hα-helixtrans-58.4-42.6176.5-179.9-87.1000111.3F443 M444 P445 L458 A459 H466F443-F462 HydrophobicContact CB-CD1 4.05Å; F443-F462 HydrophobicContact CB-CE1 4.16Å; M444-F462 WeakPolarHBondContact O-CE1 3.44Å; M444-F462 WeakPolarHBondContact O-CZ 3.31Å; P445-F462 HydrophobicContact CB-CB 4.15Å; P445-F462 HydrophobicContact CB-CD2 3.83Å; P445-F462 HydrophobicContact CB-CE2 4.36Å; P445-F462 HydrophobicContact CB-CG 3.96Å; L458-F462 VanDerWaalsContact O-CB 3.3Å; L458-F462 WeakPolarHBondContact O-CB 3.24Å; L458-F462 PolarHBondContact O-N 2.83Å; A459-F462 PolarHBondContact O-N 2.87Å; F462-H466 AromaticContact CD1-ND1 3.84Å; F462-H466 AromaticContact CD2-CE1 3.81Å; F462-H466 AromaticContact CE1-CE1 3.58Å; F462-H466 AromaticContact CE1-ND1 3.71Å; F462-H466 AromaticContact CE2-CE1 3.37Å; F462-H466 WeakPolarHBondContact CE2-CE1 3.36Å; F462-H466 AromaticContact CZ-CE1 3.24Å; F462-H466 WeakPolarHBondContact CZ-CE1 3.27Å; F462-H466 AromaticContact CZ-ND1 3.87Å; F462-H466 AromaticContact CZ-NE2 3.77Å; F462-H466 PolarHBondContact O-N 3.38Å; F462-H466 PolarHBondContact O-ND1 2.89Å
463T88.4Confident77.2Confident0 Ų073.5 Ų73.50%033%0.332CS..Hα-helixtrans-64.2-50.7178.1-57.70000111.8L398 I430 I432 F443 A459 A460 Q461 L465 H466 L467L398-T463 HydrophobicContact CD1-CG2 3.82Å; L398-T463 HydrophobicContact CD2-CG2 3.88Å; I430-T463 HydrophobicContact CG2-CG2 4.28Å; I432-T463 HydrophobicContact CD1-CG2 3.71Å; F443-T463 HydrophobicContact CB-CG2 4.16Å; F443-T463 VanDerWaalsContact CB-OG1 3.24Å; F443-T463 WeakPolarHBondContact CB-OG1 3.21Å; F443-T463 HydrophobicContact CD1-CG2 4.45Å; F443-T463 HydrophobicContact CD2-CG2 3.66Å; F443-T463 HydrophobicContact CE2-CG2 4.19Å; F443-T463 HydrophobicContact CG-CG2 3.82Å; A459-T463 WeakPolarHBondContact O-CB 3.42Å; A459-T463 PolarHBondContact O-N 3.07Å; A459-T463 PolarHBondContact O-OG1 3.12Å; A460-T463 PolarHBondContact O-N 3.07Å; Q461-T463 VanDerWaalsContact C-N 3.29Å; Q461-T463 PolarHBondContact O-N 2.8Å; T463-L465 VanDerWaalsContact C-N 3.31Å; T463-L465 PolarHBondContact O-N 3.09Å; T463-H466 PolarHBondContact O-N 3.41Å; T463-H466 VanDerWaalsContact O-N 3.11Å; T463-L467 HydrophobicContact CG2-CD1 4.06Å; T463-L467 HydrophobicContact CG2-CG 4.37Å; T463-L467 WeakPolarHBondContact O-CG 3.48Å; T463-L467 PolarHBondContact O-N 3.27Å
464L86.1Confident74.8Confident33 Ų3371.1 Ų71.117%0.17333%0.329CS..Hα-helixtrans-54.5-45.1177.5-76.5167.7000112.3A394 H397 L398 Y401 A460 Q461 H466 L467 D468A394-L464 HydrophobicContact CB-CD1 4.38Å; H397-L464 HydrophobicContact CB-CD1 3.72Å; L398-L464 HydrophobicContact CB-CD1 4.32Å; L398-L464 HydrophobicContact CB-CD2 4.25Å; L398-L464 HydrophobicContact CB-CG 4.14Å; L398-L464 HydrophobicContact CD1-CD2 3.81Å; L398-L464 HydrophobicContact CD1-CG 3.99Å; Y401-L464 HydrophobicContact CD2-CD2 4.39Å; Y401-L464 HydrophobicContact CG-CD2 4.18Å; A460-L464 WeakPolarHBondContact O-CG 3.2Å; A460-L464 PolarHBondContact O-N 3.01Å; Q461-L464 PolarHBondContact O-N 3.11Å; L464-H466 VanDerWaalsContact C-N 3.32Å; L464-H466 PolarHBondContact O-N 3.13Å; L464-L467 PolarHBondContact O-N 3.2Å; L464-D468 PolarHBondContact O-N 3.04Å; L464-D468 VanDerWaalsContact O-N 3.09Å
465L82.9Confident72.4Confident115 Ų11569.6 Ų69.660%0.60233%0.325SS*.Hα-helixtrans-58-42.4177.7-168.982.4000112.4Q461 T463 Y469Q461-L465 PolarHBondContact O-N 3.33Å; Q461-L465 VanDerWaalsContact O-N 3.08Å; T463-L465 VanDerWaalsContact C-N 3.31Å; T463-L465 PolarHBondContact O-N 3.09Å; L465-Y469 WeakPolarHBondContact O-CB 3.13Å; L465-Y469 PolarHBondContact O-N 3.2Å; L465-Y469 VanDerWaalsContact O-N 3.11Å
466H79.8Confident69.9Low48 Ų4876 Ų7622%0.22236%0.358CS..Hα-helixtrans-75.5-29.8-179.2-74.377.8000113F443 F462 T463 L464 N470F443-H466 HydrophobicContact CD1-CB 3.74Å; F443-H466 HydrophobicContact CE1-CB 3.65Å; F462-H466 AromaticContact CD1-ND1 3.84Å; F462-H466 AromaticContact CD2-CE1 3.81Å; F462-H466 AromaticContact CE1-CE1 3.58Å; F462-H466 AromaticContact CE1-ND1 3.71Å; F462-H466 AromaticContact CE2-CE1 3.37Å; F462-H466 WeakPolarHBondContact CE2-CE1 3.36Å; F462-H466 AromaticContact CZ-CE1 3.24Å; F462-H466 WeakPolarHBondContact CZ-CE1 3.27Å; F462-H466 AromaticContact CZ-ND1 3.87Å; F462-H466 AromaticContact CZ-NE2 3.77Å; F462-H466 PolarHBondContact O-N 3.38Å; F462-H466 PolarHBondContact O-ND1 2.89Å; T463-H466 PolarHBondContact O-N 3.41Å; T463-H466 VanDerWaalsContact O-N 3.11Å; L464-H466 VanDerWaalsContact C-N 3.32Å; L464-H466 PolarHBondContact O-N 3.13Å; H466-N470 WeakPolarHBondContact O-CB 3.36Å; H466-N470 PolarHBondContact O-N 2.83Å; H466-N470 VanDerWaalsContact O-N 3.12Å; H466-N470 PolarHBondContact O-ND2 2.98Å
467L81.3Confident67.1Low10 Ų1080 Ų805%0.05238%0.383CS..Hα-helixtrans-65.7-48.7172.8-67.3173.4000111.1L398 Y401 W407 I432 I435 F443 T463 L464 Y469 N470 F471L398-L467 HydrophobicContact CD1-CD1 3.77Å; Y401-L467 HydrophobicContact CD1-CD1 3.89Å; Y401-L467 HydrophobicContact CE1-CB 4.22Å; Y401-L467 HydrophobicContact CE1-CD1 3.82Å; W407-L467 HydrophobicContact CH2-CD2 4.22Å; W407-L467 HydrophobicContact CZ3-CD1 4.27Å; W407-L467 HydrophobicContact CZ3-CD2 3.93Å; I432-L467 HydrophobicContact CD1-CD1 3.82Å; I432-L467 HydrophobicContact CD1-CD2 4.25Å; I435-L467 HydrophobicContact CD1-CD2 3.4Å; F443-L467 HydrophobicContact CZ-CD2 4.14Å; T463-L467 HydrophobicContact CG2-CD1 4.06Å; T463-L467 HydrophobicContact CG2-CG 4.37Å; T463-L467 WeakPolarHBondContact O-CG 3.48Å; T463-L467 PolarHBondContact O-N 3.27Å; L464-L467 PolarHBondContact O-N 3.2Å; L467-Y469 VanDerWaalsContact C-N 3.34Å; L467-Y469 PolarHBondContact O-N 3.08Å; L467-N470 PolarHBondContact O-N 2.98Å; L467-F471 PolarHBondContact O-N 3.23Å
468D72.4Confident64.3Low92 Ų9282.2 Ų82.249%0.49240%0.403SS..Hα-helixtrans-61.7-40.1176.9-90.1-4.5000112.2L464 F471 R472L464-D468 PolarHBondContact O-N 3.04Å; L464-D468 VanDerWaalsContact O-N 3.09Å; D468-F471 PolarHBondContact O-N 3.06Å; D468-R472 WeakPolarHBondContact O-CG 3.3Å; D468-R472 PolarHBondContact O-N 2.84Å; D468-R472 VanDerWaalsContact O-N 3.14Å
469Y57.3Low61.5Low160 Ų16088 Ų8863%0.62743%0.434SS*.Hα-helixtrans-65.3-43.7178.8-172.1-100.3000112.4L465 L467 R473L465-Y469 WeakPolarHBondContact O-CB 3.13Å; L465-Y469 PolarHBondContact O-N 3.2Å; L465-Y469 VanDerWaalsContact O-N 3.11Å; L467-Y469 VanDerWaalsContact C-N 3.34Å; L467-Y469 PolarHBondContact O-N 3.08Å; Y469-R473 PolarHBondContact O-N 2.93Å
470N57Low58.5Low69 Ų6993.1 Ų93.137%0.36947%0.469SS..Hα-helixtrans-67.2-40176.7-79.1-49.3000111.9H466 L467 R472 R473 S474H466-N470 WeakPolarHBondContact O-CB 3.36Å; H466-N470 PolarHBondContact O-N 2.83Å; H466-N470 VanDerWaalsContact O-N 3.12Å; H466-N470 PolarHBondContact O-ND2 2.98Å; L467-N470 PolarHBondContact O-N 2.98Å; N470-R472 PolarHBondContact O-N 3.3Å; N470-R473 WeakPolarHBondContact O-CA 3.4Å; N470-R473 VanDerWaalsContact O-CB 3.3Å; N470-R473 WeakPolarHBondContact O-CB 3.45Å; N470-R473 PolarHBondContact O-N 3.48Å; N470-S474 PolarHBondContact O-N 3.24Å; N470-S474 PolarHBondContact O-OG 3.06Å
471F52.3Low55.7Low125 Ų12599.2 Ų99.255%0.54851%0.509SS..Hα-helixtrans-61.9-42.5178.2-168.4-94.2000112.4L467 D468 R473 S474 S475L467-F471 PolarHBondContact O-N 3.23Å; D468-F471 PolarHBondContact O-N 3.06Å; F471-R473 PolarHBondContact O-N 3.3Å; F471-R473 VanDerWaalsContact O-N 3.17Å; F471-S474 WeakPolarHBondContact O-CB 3.33Å; F471-S474 PolarHBondContact O-N 3.07Å; F471-S475 WeakPolarHBondContact CE1-OG 3.45Å; F471-S475 PolarHBondContact O-N 3.44Å; F471-S475 PolarHBondContact O-OG 3.22Å; F471-S475 VanDerWaalsContact O-OG 3.07Å
472R42.5Very low52.9Low192 Ų192101.3 Ų101.373%0.72553%0.528SS*.Hα-helixtrans-59.2-26.2173.7-73.9-175.6-177.2-145.41.6113.5D468 N470 I476D468-R472 WeakPolarHBondContact O-CG 3.3Å; D468-R472 PolarHBondContact O-N 2.84Å; D468-R472 VanDerWaalsContact O-N 3.14Å; N470-R472 PolarHBondContact O-N 3.3Å; R472-I476 WeakPolarHBondContact O-CD1 3.26Å
473R35Very low49.9Very low180 Ų180104.6 Ų104.668%0.67956%0.557SS**Hα-helixtrans-78.9-37.3174.9-143.3176.1-173.7-171.31.1111.6Y469 N470 F471Y469-R473 PolarHBondContact O-N 2.93Å; N470-R473 WeakPolarHBondContact O-CA 3.4Å; N470-R473 VanDerWaalsContact O-CB 3.3Å; N470-R473 WeakPolarHBondContact O-CB 3.45Å; N470-R473 PolarHBondContact O-N 3.48Å; F471-R473 PolarHBondContact O-N 3.3Å; F471-R473 VanDerWaalsContact O-N 3.17Å
474S37.3Very low47.1Very low76 Ų76109.1 Ų109.153%0.53159%0.594SS.*Hα-helixtrans-66.6-41.6175.5-54.10000113N470 F471 I476 N477N470-S474 PolarHBondContact O-N 3.24Å; N470-S474 PolarHBondContact O-OG 3.06Å; F471-S474 WeakPolarHBondContact O-CB 3.33Å; F471-S474 PolarHBondContact O-N 3.07Å; S474-I476 PolarHBondContact O-N 3.12Å; S474-I476 VanDerWaalsContact O-N 3.08Å; S474-N477 PolarHBondContact O-N 3.02Å
475S34.4Very low44.2Very low55 Ų55114.5 Ų114.539%0.38563%0.629SS.*THydrogen-bonded Turntrans-65.6-10.8-177.6-50.40000114.9F471F471-S475 WeakPolarHBondContact CE1-OG 3.45Å; F471-S475 PolarHBondContact O-N 3.44Å; F471-S475 PolarHBondContact O-OG 3.22Å; F471-S475 VanDerWaalsContact O-OG 3.07Å
476I36.2Very low41.5Very low136 Ų136116.7 Ų116.770%0.69764%0.64SS**THydrogen-bonded Turntrans-87.1-19.6179.6-67.5171.2000111.8R472 S474R472-I476 WeakPolarHBondContact O-CD1 3.26Å; S474-I476 PolarHBondContact O-N 3.12Å; S474-I476 VanDerWaalsContact O-N 3.08Å
477N32.1Very low38.9Very low151 Ų151119.2 Ų119.281%0.80766%0.663SS**SBendtrans-105.19.8-174.3-79.41.9000115S474S474-N477 PolarHBondContact O-N 3.02Å
478S32.8Very low36.3Very low91 Ų91124.8 Ų124.864%0.63670%0.703SS**  trans-132.965.9-179.268.70000113.2
479L27.4Very low34Very low170 Ų170124.2 Ų124.289%0.8972%0.719SS**  trans-132.892166-89.6163.7000109.9
480S28Very low32.5Very low107 Ų107123.3 Ų123.375%0.74873%0.73SS**  trans-129.9145.7160.445.60000108.6
481P31.9Very low31.9Very low127 Ų127125.4 Ų125.483%0.82575%0.748SS**  trans-78.2148.7-15930-36.2000113.8
482V27.5Very low30.6Very low145 Ų145125.1 Ų125.188%0.87976%0.761SS**  trans-83.3121.2175.3-174.50000109.9
483S25.9Very low29.8Very low115 Ų115121.9 Ų121.980%0.80476%0.762SS**  trans-116.5133.2164.6-69.90000109.1
484A28.6Very low29.5Very low95 Ų95121 Ų12179%0.78577%0.77SS**  trans-100.2135.5-176.600000112.3
485T25.8Very low29.4Very low146 Ų146122.3 Ų122.390%0.89678%0.777SS**  trans-163.2166.9150.516.30000111.3
486L25.8Very low28.9Very low161 Ų161130.5 Ų130.584%0.84380%0.801SS**  trans-96.9157-159.2-75.2114.8000117.1
487S25.8Very low28.4Very low100 Ų100129.6 Ų129.670%0.69980%0.802SS**  trans78.8124.6135.961.30000123.9
488S26.3Very low28Very low127 Ų127127.7 Ų127.789%0.88880%0.801SS**  trans82.8135.9138.6740000121
489G24Very low27.8Very low81 Ų81134.9 Ų134.984%0.83581%0.814SS**  trans130.1102.7163.900000116.3
490T26.5Very low27.9Very low140 Ų140132 Ų13286%0.85981%0.805SS**  trans-115.2174.1163.649.90000109.2
491P44.4Very low27.8Very low114 Ų114138.2 Ų138.274%0.7481%0.814SS**  cis-135.7167.4-4236.4-21.2000113.5
492S25.3Very low27.5Very low118 Ų118137.5 Ų137.583%0.82581%0.812SS**  trans-179.6158.6150.2160000109.2
493V25.8Very low27.7Very low124 Ų124141.6 Ų141.675%0.75281%0.813SS**  cis166.4107.4-22.6145.20000105.4
494L27.1Very low28Very low161 Ų161141.8 Ų141.884%0.84381%0.812SS**  trans68.4174.8154.7-53.7176.6000118.2
495P36.2Very low27.9Very low105 Ų105140.8 Ų140.868%0.68281%0.811SS**  -131.8177-102.531.5-8.1000113.3
496Y24.7Very low28.1Very low226 Ų226145.1 Ų145.189%0.88681%0.812SS**  trans-155.7163.6149.5-120.8-81.9000113.9
497T25.2Very low28.5Very low118 Ų118143 Ų14372%0.72481%0.808SS**  trans-94.5157.8-153.853.60000115.9
498S23.6Very low28.7Very low111 Ų111146.6 Ų146.678%0.77682%0.819SS**  trans-70.2150.3169.544.20000114.1
499R27.5Very low28.8Very low242 Ų242145.9 Ų145.991%0.91381%0.814SS**  -165.2157.5128.9-105.6-179.3-172.3-149.31.3112.1
500P29.7Very low29.3Very low109 Ų109148.1 Ų148.171%0.70881%0.814SS**  trans-99.8170-166.639.8-36.1000113.8
501Y26Very low29.3Very low238 Ų238147.8 Ų147.893%0.93381%0.811SS**  trans-118.1144.5163.4-90.8-83.6000112
502S26.6Very low28.4Very low112 Ų112149.7 Ų149.778%0.78381%0.814SS**PPolyproline II helixtrans-92151.7-168-510000113.8
503Y30.6Very low28.3Very low231 Ų231149.3 Ų149.391%0.90681%0.811SS**PPolyproline II helixtrans-77.2143164.9-89.5-95.3000112.1
504P31.7Very low28.4Very low118 Ų118151.7 Ų151.777%0.76682%0.819SS**PPolyproline II helixtrans-94.7148149.714.14.2000111.2
505G28.1Very low28.3Very low74 Ų74148.9 Ų148.976%0.76382%0.819SS**PPolyproline II helixtrans-89.7169.8-173.400000115.9
506Y30Very low27.8Very low237 Ų237152.2 Ų152.293%0.92983%0.831SS**PPolyproline II helixtrans-77.4139.6176.6-73.9-95.7000112.7
507P32.6Very low27.9Very low118 Ų118145.4 Ų145.477%0.76683%0.829SS**PPolyproline II helixtrans-88.6141.6164.133.2-30.2000112.5
508L30.6Very low28Very low174 Ų174144.8 Ų144.891%0.91183%0.83SS**PPolyproline II helixtrans-75.4154.3164.6-77.2155.1000110.9
509S27.7Very low28.2Very low113 Ų113147.7 Ų147.779%0.7983%0.831SS**  trans-157.7158175.7-84.90000111
510P35.1Very low28.3Very low128 Ų128142 Ų14283%0.83182%0.823SS**  -118.5-175.6-128.536.2-23.3000116.3
511T25.8Very low28.2Very low132 Ų132140.5 Ų140.581%0.8183%0.827SS**  trans-96.1174.1-171.8-40.90000113.6
512I26.8Very low28.4Very low155 Ų155137.7 Ų137.780%0.79582%0.822SS**  trans75.8133.9169.7-17.9-179.6000113
513S23.2Very low28.4Very low109 Ų109142.9 Ų142.976%0.76283%0.825SS**  cis-152.316926.5-490000114.8
514L27Very low28.1Very low174 Ų174138.6 Ų138.691%0.91182%0.817SS**  trans-75.2153.1171.3-76.383.6000113.8
515A26.1Very low27.9Very low102 Ų102143.8 Ų143.884%0.84382%0.823SS**  trans-154.1149.6150.200000111.9
516N26.2Very low27.9Very low175 Ų175148 Ų14894%0.93683%0.826SS**  trans-80.2154.4-179.7-77.7-26.8000113.2
517G26.5Very low27.7Very low83 Ų83141.9 Ų141.986%0.85682%0.818SS**  trans-175.1117166.700000113.2
518S26.3Very low27.4Very low105 Ų105144.4 Ų144.473%0.73483%0.825SS**  trans-103.5139.6-170.649.90000113.9
519H29.1Very low27.3Very low173 Ų173144.6 Ų144.680%0.80182%0.821SS**  -179.2115121.5-108.8-91.5000114.5
520V29.3Very low27.1Very low122 Ų122143.6 Ų143.674%0.73982%0.82SS**  51.7117.9128.1-176.30000122
521G27.3Very low26.8Very low77 Ų77142.6 Ų142.679%0.79482%0.816SS**  trans-162.1106.4151.300000110.6
522Q29.3Very low27.1Very low179 Ų179146 Ų14684%0.83682%0.819SS**  trans-82.8140.6-174.7-58.8168.8-39.400111.4
523R26.7Very low27.6Very low222 Ų222152.2 Ų152.284%0.83884%0.841SS**  166.1157.289.5-90.5-173153.7169.9-6.2105.9
524L25.6Very low27.8Very low141 Ų141154.4 Ų154.474%0.73885%0.845SS**  cis-153.3133.9-2.6-107.6157.1000106.2
525Y25.8Very low27.8Very low227 Ų227153.3 Ų153.389%0.8984%0.842SS**  trans-116.3142.8167.5-107.3-91.7000108.4
526I27.8Very low27.9Very low162 Ų162156.2 Ų156.283%0.83184%0.842SS**  trans-100.6134.5162.7-66.7178.9000108.2
527S26.1Very low28Very low109 Ų109155.1 Ų155.176%0.76284%0.836SS**  trans-79.9147.4-167.946.90000113.9
528N26.8Very low28.1Very low170 Ų170159.6 Ų159.691%0.90984%0.835SS**  trans-110.3117.4168.2-159.37000108.7
529Q28Very low28.2Very low179 Ų179163.2 Ų163.284%0.83684%0.842SS**  trans-153.2112.9-179.7-126.6-170.619.600112.7
530A24.6Very low28.2Very low92 Ų92162.5 Ų162.576%0.7685%0.845SS**  trans-178.292.3149.900000105.6
531S29.4Very low28.1Very low107 Ų107165.6 Ų165.675%0.74885%0.853SS**  74110.473.7-61.60000112.7
532F30.5Very low28.1Very low202 Ų202173 Ų17389%0.88686%0.858SS**  trans-60.2141.4174.7-68.4-108.6000112.1
533F37.1Very low28Very low286 Ų286172.5 Ų172.5100%1.25486%0.859SS**  -151.80125.4-94.5-68.3000109.3

Retrieved 533 of 533 residues in 2721.7 ms (Link to these results)

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