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Isoform 21 of Protocadherin-15 AlphaSync

Canonical isoform description: Calcium-dependent cell-adhesion protein. Required for inner ear neuroepithelial cell elaboration and cochlear function. Probably involved in the maintenance of normal retinal function.

AlphaFold DB , UniProt , Accession Q99PJ1-21 (canonical: Q99PJ1), Species MOUSE (Mus musculus, Mouse), Gene Pcdh15, Length 1,176 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
1M29.5Very low25.8Very low235 Ų235151.5 Ų151.5100%1.15876%0.756SS**  082.60-114168.7158.800106.5
2F24.6Very low26.5Very low192 Ų192148.7 Ų148.784%0.84276%0.757SS**  49.196.4112.7-80.1-79.7000111.9
3L26.1Very low26.7Very low134 Ų134148.2 Ų148.270%0.70275%0.749SS**  77.3145.991.8-145.486.1000109.8
4Q25.2Very low26.7Very low132 Ų132142.2 Ų142.262%0.61774%0.744SS**  trans107.3112.4144.5-72.3-179.8-19.100118.9
5F26.2Very low27.1Very low179 Ų179142.3 Ų142.379%0.78574%0.743SS**  79.1145.5120.5-69-39.1000116.3
6A26.6Very low27.3Very low71 Ų71140.3 Ų140.359%0.58773%0.733SS**  cis177.3160.6-8.400000105.6
7V26.1Very low27.7Very low118 Ų118140.3 Ų140.372%0.71573%0.732SS**  trans75.2108.7133.31690000117.9
8W24.2Very low28.3Very low206 Ų206136.6 Ų136.678%0.7873%0.725SS**  81.7134.7127.8-94.4-7.5000122.5
9K24.2Very low29Very low143 Ų143134.7 Ų134.762%0.62272%0.724SS**  104.5109.2122.3-87.4167.9175.3176.20117.6
10C26.7Very low29.4Very low111 Ų111133.8 Ų133.875%0.7572%0.718SS**  40.1109.4127-59.60000117.4
11L24.3Very low29.8Very low145 Ų145135.1 Ų135.176%0.75973%0.725SS**  trans-149.5108.4141.9-130.6102000110.3H13L11-H13 HydrophobicContact CD2-CB 4.46Å
12P34.9Very low29.7Very low118 Ų118129.7 Ų129.777%0.76670%0.704SS**  trans-93.6106.1161.332.1-22.3000108.8
13H29.2Very low30.3Very low142 Ų142127 Ų12766%0.65770%0.703SS**  trans-141117.1166.9-72.25.9000105.4L11L11-H13 HydrophobicContact CD2-CB 4.46Å
14G26.8Very low30.4Very low65 Ų65125.3 Ų125.367%0.6770%0.702SS**  cis55.866.321.300000110.5
15I32.7Very low30.6Very low144 Ų144131.3 Ų131.374%0.73872%0.72SS**  cis47.498.442.3-47.2175.2000112.4
16L30.5Very low30.6Very low110 Ų110126.2 Ų126.258%0.57672%0.718SS**  -155.4150.9-65.3-122.1150.3000106.2A18 S19L16-A18 VanDerWaalsContact CB-C 3.41Å; L16-A18 HydrophobicContact CB-CB 4.05Å; L16-A18 WeakPolarHBondContact CB-O 3.41Å; L16-A18 HydrophobicContact CD2-CB 4.12Å; L16-A18 HydrophobicContact CG-CB 4.47Å; L16-A18 CarbonylContact O-C 3.35Å; L16-A18 PolarHBondContact O-N 3.37Å; L16-S19 PolarHBondContact O-N 3.23Å
17I33.5Very low30.6Very low140 Ų140130.9 Ų130.972%0.71873%0.728SS**SBendtrans-62.290.9139.7-67.2-163000104.9L20I17-L20 HydrophobicContact CB-CD1 3.94Å; I17-L20 HydrophobicContact CD1-CD1 3.59Å; I17-L20 HydrophobicContact CG1-CD1 3.38Å; I17-L20 HydrophobicContact CG1-CG 4.14Å; I17-L20 HydrophobicContact CG2-CD1 3.88Å
18A38.2Very low30.9Very low74 Ų74137 Ų13761%0.61274%0.739SS**SBendtrans115.353.5-159.200000109.9L16L16-A18 VanDerWaalsContact CB-C 3.41Å; L16-A18 HydrophobicContact CB-CB 4.05Å; L16-A18 WeakPolarHBondContact CB-O 3.41Å; L16-A18 HydrophobicContact CD2-CB 4.12Å; L16-A18 HydrophobicContact CG-CB 4.47Å; L16-A18 CarbonylContact O-C 3.35Å; L16-A18 PolarHBondContact O-N 3.37Å
19S41.3Very low31.3Very low101 Ų101133.4 Ų133.471%0.70674%0.736SS**SBend-125.581.461540000113.5L16 L21L16-S19 PolarHBondContact O-N 3.23Å; S19-L21 PolarHBondContact O-N 2.7Å
20L36.9Very low31.8Very low116 Ų116133.4 Ų133.461%0.60774%0.743SS**  trans-85.696.2167.5-108.5178.1000109.5I17I17-L20 HydrophobicContact CB-CD1 3.94Å; I17-L20 HydrophobicContact CD1-CD1 3.59Å; I17-L20 HydrophobicContact CG1-CD1 3.38Å; I17-L20 HydrophobicContact CG1-CG 4.14Å; I17-L20 HydrophobicContact CG2-CD1 3.88Å
21L37.3Very low32.5Very low162 Ų162133 Ų13385%0.84873%0.733SS**  trans174.4119.2144.6-91.4155.7000106.1S19S19-L21 PolarHBondContact O-N 2.7Å
22V29.4Very low33.9Very low120 Ų120133.9 Ų133.973%0.72773%0.726SS**  cis-170.7158.3-0.9129.40000105.1
23V35.7Very low34.7Very low136 Ų136131.7 Ų131.782%0.82471%0.706SS**  trans-45127.3172.1173.10000115.3
24S28.1Very low36.1Very low98 Ų98131.9 Ų131.969%0.68570%0.702SS**  trans154.5124.7150.248.70000109
25W30.9Very low38.3Very low258 Ų258133.3 Ų133.398%0.97769%0.691SS**  cis-13513513.9-75.1-28.4000110.3
26G25.9Very low40.6Very low73 Ų73127.4 Ų127.475%0.75366%0.661SS**  trans-99167.2174.100000113.5
27Q26.7Very low43.2Very low168 Ų168122.1 Ų122.179%0.78563%0.633SS**  trans75.7105.8169.2-88.7176.5-46.900119.1
28Y31.1Very low45.6Very low246 Ų246120.5 Ų120.597%0.96562%0.621SS**  trans-139.1126.6132.8-106.7-87.7000108
29D32.1Very low47.6Very low131 Ų131118.7 Ų118.770%0.70160%0.601SS**  trans-73157-166.8-74.2-53.4000115.3
30D35.1Very low49.5Very low144 Ų144116.9 Ų116.977%0.7759%0.592SS**  trans-53.4123.1168.4-76.9-49.7000113.2W32D30-W32 PolarHBondContact O-N 3.15Å; D30-W32 VanDerWaalsContact O-N 3.17Å
31D42.5Very low51.5Low102 Ų102116 Ų11655%0.54558%0.581SS.*  trans-84.576.9167.2-89-23.2000110.8Q33 Y34D31-Q33 PolarHBondContact O-N 3.49Å; D31-Y34 HydrophobicContact CB-CD2 3.99Å; D31-Y34 HydrophobicContact CB-CE2 3.95Å
32W52Low52.9Low163 Ų163112.3 Ų112.362%0.61758%0.581SS**G310 helixtrans-57-5.7166.150.4-85.3000113.8D30 Y34 K129D30-W32 PolarHBondContact O-N 3.15Å; D30-W32 VanDerWaalsContact O-N 3.17Å; W32-Y34 VanDerWaalsContact C-N 3.29Å; W32-Y34 PolarHBondContact O-N 3.19Å; W32-K129 VanDerWaalsContact CH2-NZ 3.32Å
33Q53.2Low54.5Low72 Ų72109.3 Ų109.334%0.33658%0.575SS.*G310 helixtrans-72-15.6-175.4-58.1-1768.800114.1D31 N127 K129 V130D31-Q33 PolarHBondContact O-N 3.49Å; Q33-N127 PolarHBondContact O-ND2 3.1Å; Q33-K129 HydrophobicContact CB-CD 4.42Å; Q33-K129 HydrophobicContact CG-CD 4.28Å; Q33-V130 WeakPolarHBondContact O-CG2 3.36Å
34Y57.8Low55.7Low146 Ų146107.5 Ų107.557%0.57357%0.566SS**G310 helixtrans-88.7-5-178.9-69.2-82.8000115.4D31 W32 V130D31-Y34 HydrophobicContact CB-CD2 3.99Å; D31-Y34 HydrophobicContact CB-CE2 3.95Å; W32-Y34 VanDerWaalsContact C-N 3.29Å; W32-Y34 PolarHBondContact O-N 3.19Å; Y34-V130 HydrophobicContact CD1-CG1 4.07Å; Y34-V130 HydrophobicContact CD1-CG2 4.3Å; Y34-V130 HydrophobicContact CE1-CG1 3.76Å; Y34-V130 HydrophobicContact CE1-CG2 4.43Å
35E73.4Confident57.6Low96 Ų96108 Ų10845%0.44957%0.567SS.*  trans-89-18.1-179.3-68.5-147.8146.600114.8K38 K68E35-K38 WeakPolarHBondContact O-CB 3.49Å; E35-K38 PolarHBondContact O-N 3.15Å; E35-K38 VanDerWaalsContact O-N 3.13Å; E35-K68 HydrophobicContact CB-CD 4.28Å; E35-K68 IonicContact OE1-NZ 3.85Å; E35-K68 IonicContact OE2-NZ 2.66Å; E35-K68 PolarHBondContact OE2-NZ 3.28Å
36D80.6Confident59.8Low19 Ų1996.9 Ų96.910%0.10253%0.53CS..THydrogen-bonded Turntrans-59.9140.4179.1-81.7-8.5000110.7K68 G69 T77 I78 N127D36-K68 WeakPolarHBondContact CA-O 3.47Å; D36-G69 VanDerWaalsContact OD1-CA 3.29Å; D36-G69 WeakPolarHBondContact OD1-CA 3.26Å; D36-G69 PolarHBondContact OD1-N 2.86Å; D36-T77 WeakPolarHBondContact OD2-CB 3.28Å; D36-T77 PolarHBondContact OD2-OG1 2.74Å; D36-I78 HydrophobicContact CB-CG2 3.76Å; D36-N127 HydrophobicContact CB-CB 4.49Å; D36-N127 VanDerWaalsContact CB-ND2 3.32Å; D36-N127 WeakPolarHBondContact CB-ND2 3.29Å; D36-N127 PolarHBondContact O-ND2 2.78Å
37C85.9Confident62.4Low0 Ų093.7 Ų93.70%050%0.496CS..THydrogen-bonded Turntrans78.1-5.3-167.2-66.60000118K68 C125 V126 N127 I134 H136C37-K68 PolarHBondContact N-O 3.42Å; C37-C125 WeakPolarHBondContact CA-SG 3.38Å; C37-C125 HydrophobicContact CB-CB 3.64Å; C37-C125 WeakPolarHBondContact CB-SG 3.38Å; C37-C125 WeakPolarHBondContact SG-CB 3.31Å; C37-C125 PolarHBondContact SG-O 3.05Å; C37-C125 VanDerWaalsContact SG-O 3.39Å; C37-C125 CovalentContact SG-SG 2.04Å; C37-C125 PolarHBondContact SG-SG 3.22Å; C37-V126 VanDerWaalsContact SG-C 3.5Å; C37-N127 PolarHBondContact SG-N 2.98Å; C37-N127 VanDerWaalsContact SG-N 3.36Å; C37-I134 HydrophobicContact CB-CB 4.12Å; C37-I134 HydrophobicContact CB-CD1 3.82Å; C37-I134 HydrophobicContact CB-CG1 4.09Å; C37-H136 PolarHBondContact O-CE1 3.48Å; C37-H136 VanDerWaalsContact O-CE1 3.31Å; C37-H136 PolarHBondContact O-NE2 3.31Å
38K84.2Confident65.1Low106 Ų10691.4 Ų91.446%0.46149%0.488SS..SBendtrans-81151172-65.6-179.2-177.81730111.6E35 K68 I134E35-K38 WeakPolarHBondContact O-CB 3.49Å; E35-K38 PolarHBondContact O-N 3.15Å; E35-K38 VanDerWaalsContact O-N 3.13Å; K38-K68 WeakPolarHBondContact O-CB 3.38Å; K38-K68 WeakPolarHBondContact O-CG 3.36Å; K38-K68 PolarHBondContact O-N 3.42Å; K38-I134 HydrophobicContact CG-CD1 4.19Å
39L79.8Confident67.9Low35 Ų3581.4 Ų81.418%0.18345%0.452CS..BIsolated β-bridgetrans-67.3135171.8-68.2169.1000110.1R41 M65 I67L39-R41 HydrophobicContact CB-CG 4.43Å; L39-R41 PolarHBondContact O-N 2.97Å; L39-M65 WeakPolarHBondContact CD2-O 3.32Å; L39-I67 HydrophobicContact CD2-CG1 4.15Å
40A80.8Confident70.5Confident63 Ų6377.9 Ų77.952%0.52144%0.441SS..SBendtrans-74.8-14.6176.100000112.9L66 K68A40-L66 HydrophobicContact CB-CB 4.35Å; A40-L66 WeakPolarHBondContact CB-O 3.41Å; A40-L66 PolarHBondContact N-O 2.82Å; A40-K68 HydrophobicContact CB-CG 3.99Å
41R79.6Confident73.2Confident98 Ų9871.3 Ų71.337%0.3741%0.406SS..SBendtrans-98.2145.4176.670.2-179.5-169.7-159.6-2.7111.7L39 T47L39-R41 HydrophobicContact CB-CG 4.43Å; L39-R41 PolarHBondContact O-N 2.97Å; R41-T47 PolarHBondContact NH2-OG1 2.93Å
42G65.2Low75.3Confident84 Ų8468.2 Ų68.287%0.86639%0.389SS*.  trans-79.7137.1163.800000110.5
43G63.5Low77.1Confident57 Ų5760.4 Ų60.459%0.58836%0.36SS*.SBendtrans154.6178.4-177.900000112.5
44P62Low78.6Confident99 Ų9962.1 Ų62.164%0.64337%0.368SS*.  trans-56.3146.3176.522.8-31.4000110.8A46P44-A46 PolarHBondContact O-N 2.91Å
45P67.3Low80.1Confident107 Ų10756.2 Ų56.270%0.69535%0.348SS*.SBendtrans-65.3-21.3-174.424.5-32.8000113.2
46A76.1Confident80.7Confident25 Ų2561.7 Ų61.721%0.20737%0.365CS..SBendtrans-93.5138.3178.900000112.2P44 E137P44-A46 PolarHBondContact O-N 2.91Å; A46-E137 CarbonylContact C-O 3.55Å; A46-E137 WeakPolarHBondContact CA-O 3.47Å; A46-E137 HydrophobicContact CB-CB 4.16Å
47T82.5Confident81Confident7 Ų764.6 Ų64.64%0.04338%0.38CS..EExtended strand (participates in β ladder)trans-92115.6171.6-57.10000109.3R41 V49 V62 E137 V138 R139R41-T47 PolarHBondContact NH2-OG1 2.93Å; T47-V49 HydrophobicContact CG2-CG1 4.47Å; T47-V62 HydrophobicContact CG2-CG2 4.38Å; T47-E137 PolarHBondContact N-O 2.96Å; T47-V138 CarbonylContact O-C 3.6Å; T47-V138 WeakPolarHBondContact O-CA 3.1Å; T47-R139 PolarHBondContact O-N 2.82Å
48I83Confident81.1Confident120 Ų12066.5 Ų66.562%0.61540%0.4SS*.EExtended strand (participates in β ladder)trans-100.3123.6173.6-55.2175.2000108.2R139 V141I48-R139 WeakPolarHBondContact CA-O 3.46Å; I48-R139 HydrophobicContact CG1-CB 4.45Å; I48-V141 HydrophobicContact CG2-CG2 4.05Å
49V88.3Confident81.3Confident36 Ų3663.8 Ų63.822%0.21839%0.392CS..EExtended strand (participates in β ladder)trans-129.2150.3176.3-92.10000109.4T47 L61 V62 V138 R139 I140 V141T47-V49 HydrophobicContact CG2-CG1 4.47Å; V49-L61 WeakPolarHBondContact CG1-O 3.48Å; V49-V62 HydrophobicContact CG1-CG2 4.18Å; V49-V62 HydrophobicContact CG2-CG2 3.83Å; V49-V138 HydrophobicContact CG2-CG1 3.93Å; V49-R139 PolarHBondContact N-O 2.81Å; V49-I140 HydrophobicContact CG2-CG1 3.92Å; V49-I140 CarbonylContact O-C 3.57Å; V49-I140 VanDerWaalsContact O-CA 3.26Å; V49-I140 WeakPolarHBondContact O-CA 3.42Å; V49-V141 PolarHBondContact O-N 2.88Å
50A88.3Confident81.8Confident56 Ų5666.3 Ų66.346%0.46341%0.405SS..EExtended strand (participates in β ladder)trans-115.9138.4-179.100000109.6V141 R143A50-V141 VanDerWaalsContact CA-O 3.28Å; A50-V141 WeakPolarHBondContact CA-O 3.48Å; A50-R143 HydrophobicContact CB-CG 3.98Å
51I91.1Very high82.3Confident7 Ų764 Ų644%0.03638%0.384CS..EExtended strand (participates in β ladder)trans-131.2142.3175-170.9158000108.5S55 T59 L61 L101 L108 I140 V141 V142 R143I51-S55 VanDerWaalsContact CG1-OG 3.24Å; I51-S55 WeakPolarHBondContact CG1-OG 3.16Å; I51-T59 HydrophobicContact CD1-CG2 3.81Å; I51-T59 HydrophobicContact CG1-CG2 4.5Å; I51-L61 HydrophobicContact CB-CD2 4.13Å; I51-L61 HydrophobicContact CD1-CD2 3.47Å; I51-L61 VanDerWaalsContact CD1-CD2 3.47Å; I51-L61 HydrophobicContact CG1-CD2 4.39Å; I51-L61 HydrophobicContact CG2-CD2 4.32Å; I51-L101 HydrophobicContact CD1-CB 4.03Å; I51-L101 HydrophobicContact CD1-CD1 4.44Å; I51-L101 HydrophobicContact CD1-CD2 3.72Å; I51-L101 HydrophobicContact CD1-CG 4.27Å; I51-L108 HydrophobicContact CG2-CD2 3.74Å; I51-I140 HydrophobicContact CB-CG2 4.3Å; I51-I140 HydrophobicContact CG2-CG2 3.48Å; I51-I140 VanDerWaalsContact CG2-CG2 3.48Å; I51-V141 PolarHBondContact N-O 2.89Å; I51-V142 HydrophobicContact CG2-CG2 4.45Å; I51-V142 CarbonylContact O-C 3.56Å; I51-V142 WeakPolarHBondContact O-CA 3.2Å; I51-R143 PolarHBondContact O-N 3.17Å
52D87.7Confident82.7Confident36 Ų3659.8 Ų59.819%0.19337%0.369CS..EExtended strand (participates in β ladder)trans-72.8146.9173.1-56.3-14.7000108.7S55 R143 R145D52-S55 WeakPolarHBondContact O-CB 3.48Å; D52-S55 PolarHBondContact O-N 3.03Å; D52-S55 PolarHBondContact O-OG 2.81Å; D52-R143 IonicContact OD1-CZ 3.07Å; D52-R143 IonicContact OD1-NE 3.92Å; D52-R143 PolarHBondContact OD1-NE 3.31Å; D52-R143 IonicContact OD1-NH2 2.7Å; D52-R143 PolarHBondContact OD1-NH2 2.88Å; D52-R143 IonicContact OD2-NH2 3.92Å; D52-R145 HydrophobicContact CB-CG 4.18Å; D52-R145 IonicContact OD2-CZ 3.63Å; D52-R145 IonicContact OD2-NE 3.73Å; D52-R145 IonicContact OD2-NH2 2.84Å; D52-R145 PolarHBondContact OD2-NH2 3.32Å
53E88.6Confident83.7Confident0 Ų061.2 Ų61.20%036%0.357CS..THydrogen-bonded Turntrans-58.8163.3164.878.1-169.6113.100111.7S55 L108 R110 V142 R143 D144 R145E53-S55 PolarHBondContact O-N 2.88Å; E53-L108 CarbonylContact C-O 3.58Å; E53-L108 WeakPolarHBondContact CA-O 3.35Å; E53-L108 WeakPolarHBondContact CB-O 3.42Å; E53-R110 HydrophobicContact CB-CB 4.31Å; E53-R110 WeakPolarHBondContact OE2-CA 3.29Å; E53-R110 WeakPolarHBondContact OE2-CB 3.42Å; E53-R110 PolarHBondContact OE2-N 3.06Å; E53-V142 HydrophobicContact CB-CG1 3.75Å; E53-R143 PolarHBondContact N-O 2.81Å; E53-D144 WeakPolarHBondContact OE1-CA 3.18Å; E53-R145 HydrophobicContact CG-CB 3.94Å; E53-R145 HydrophobicContact CG-CG 4.27Å; E53-R145 PolarHBondContact OE1-N 2.78Å
54E85.9Confident84.7Confident107 Ų10762.2 Ų62.250%0.535%0.348SS..THydrogen-bonded Turntrans5611.7-170.9-53-159.2117.700115.3R56 V107 L108E54-R56 PolarHBondContact O-N 2.98Å; E54-V107 HydrophobicContact CB-CG1 4.4Å; E54-V107 HydrophobicContact CG-CG1 3.96Å; E54-L108 PolarHBondContact N-O 3.02Å
55S87.8Confident85.8Confident22 Ų2257.7 Ų57.715%0.15432%0.319CS..PPolyproline II helixtrans-58.2134.6178.1-76.10000111.3I51 D52 E53 L101I51-S55 VanDerWaalsContact CG1-OG 3.24Å; I51-S55 WeakPolarHBondContact CG1-OG 3.16Å; D52-S55 WeakPolarHBondContact O-CB 3.48Å; D52-S55 PolarHBondContact O-N 3.03Å; D52-S55 PolarHBondContact O-OG 2.81Å; E53-S55 PolarHBondContact O-N 2.88Å; S55-L101 VanDerWaalsContact O-CD2 3.26Å; S55-L101 WeakPolarHBondContact O-CD2 3.1Å
56R85.7Confident86.8Confident212 Ų21256.1 Ų56.180%0.830%0.304SS*.PPolyproline II helixtrans-63.5148.7-174.3-64.5-177.5-176.6-177.51.3111.5E54 G58 T59E54-R56 PolarHBondContact O-N 2.98Å; R56-G58 PolarHBondContact O-N 3Å; R56-T59 WeakPolarHBondContact O-CB 3.3Å; R56-T59 PolarHBondContact O-N 3.37Å; R56-T59 VanDerWaalsContact O-N 3.13Å; R56-T59 PolarHBondContact O-OG1 2.92Å
57N87.8Confident87.3Confident80 Ų8055.2 Ų55.243%0.42830%0.296SS..THydrogen-bonded Turntrans-53.8134.9172.9-172.736.4000111.2L101 N102 S103 T104N57-L101 PolarHBondContact OD1-O 3.22Å; N57-N102 VanDerWaalsContact OD1-CA 3.3Å; N57-N102 WeakPolarHBondContact OD1-CA 3.18Å; N57-S103 WeakPolarHBondContact CA-OG 3.13Å; N57-S103 VanDerWaalsContact CB-OG 3.29Å; N57-S103 WeakPolarHBondContact CB-OG 3.12Å; N57-S103 PolarHBondContact N-OG 2.94Å; N57-S103 VanDerWaalsContact N-OG 3.12Å; N57-S103 PolarHBondContact OD1-N 2.91Å; N57-T104 WeakPolarHBondContact ND2-CG2 3.21Å
58G87Confident87.4Confident40 Ų4058.1 Ų58.141%0.41231%0.308SS..THydrogen-bonded Turntrans85.66.1-176.300000115R56 I60 L101R56-G58 PolarHBondContact O-N 3Å; G58-I60 PolarHBondContact O-N 3.36Å; G58-L101 WeakPolarHBondContact CA-O 3.45Å; G58-L101 PolarHBondContact N-O 2.8Å
59T89.7Confident87.6Confident48 Ų4853.5 Ų53.529%0.29429%0.29SS..  trans-60.5133.7173.2-62.30000109.8I51 R56 L61 F100 L101I51-T59 HydrophobicContact CD1-CG2 3.81Å; I51-T59 HydrophobicContact CG1-CG2 4.5Å; R56-T59 WeakPolarHBondContact O-CB 3.3Å; R56-T59 PolarHBondContact O-N 3.37Å; R56-T59 VanDerWaalsContact O-N 3.13Å; R56-T59 PolarHBondContact O-OG1 2.92Å; T59-L61 PolarHBondContact O-N 3.11Å; T59-F100 CarbonylContact O-C 3.54Å; T59-F100 WeakPolarHBondContact O-CA 3.24Å; T59-L101 PolarHBondContact O-N 3.3Å
60I90.7Very high87.4Confident88 Ų8855.6 Ų55.645%0.45130%0.302SS..EExtended strand (participates in β ladder)trans-72115.3-179.7-60.4168.3000108.5G58 D63 M98 F100G58-I60 PolarHBondContact O-N 3.36Å; I60-D63 HydrophobicContact CG2-CB 3.98Å; I60-M98 HydrophobicContact CB-CE 4.48Å; I60-M98 HydrophobicContact CD1-CE 3.71Å; I60-M98 HydrophobicContact CG1-CE 3.83Å; I60-M98 HydrophobicContact CG2-CE 3.82Å; I60-F100 HydrophobicContact CG1-CD1 3.96Å; I60-F100 HydrophobicContact CG1-CE1 3.72Å
61L89.6Confident87.2Confident15 Ų1554 Ų548%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-82.7-44.9174.2-66168.6000110.6V49 I51 T59 V90 L99 F100 L101 I140V49-L61 WeakPolarHBondContact CG1-O 3.48Å; I51-L61 HydrophobicContact CB-CD2 4.13Å; I51-L61 HydrophobicContact CD1-CD2 3.47Å; I51-L61 VanDerWaalsContact CD1-CD2 3.47Å; I51-L61 HydrophobicContact CG1-CD2 4.39Å; I51-L61 HydrophobicContact CG2-CD2 4.32Å; T59-L61 PolarHBondContact O-N 3.11Å; L61-V90 HydrophobicContact CD1-CB 4.44Å; L61-V90 HydrophobicContact CD1-CG1 4.02Å; L61-V90 HydrophobicContact CD1-CG2 3.98Å; L61-L99 HydrophobicContact CB-CB 4.07Å; L61-L99 WeakPolarHBondContact CB-O 3.39Å; L61-L99 PolarHBondContact N-O 2.87Å; L61-F100 VanDerWaalsContact CD1-C 3.49Å; L61-L101 HydrophobicContact CD1-CB 4.32Å; L61-L101 HydrophobicContact CD2-CB 4.3Å; L61-L101 HydrophobicContact CG-CB 4.21Å; L61-I140 HydrophobicContact CD1-CD1 3.77Å; L61-I140 HydrophobicContact CD1-CG1 4.38Å; L61-I140 HydrophobicContact CD2-CD1 4.42Å; L61-I140 HydrophobicContact CD2-CG1 4.25Å; L61-I140 HydrophobicContact CD2-CG2 3.82Å
62V88.2Confident86.6Confident10 Ų1054.8 Ų54.86%0.06130%0.299CS..EExtended strand (participates in β ladder)trans-138.7117.8177.3-176.80000108.1T47 V49 M65 M98 L99 V138T47-V62 HydrophobicContact CG2-CG2 4.38Å; V49-V62 HydrophobicContact CG1-CG2 4.18Å; V49-V62 HydrophobicContact CG2-CG2 3.83Å; V62-M65 HydrophobicContact CG1-CG 3.8Å; V62-M98 CarbonylContact O-C 3.33Å; V62-M98 VanDerWaalsContact O-CA 3.25Å; V62-M98 WeakPolarHBondContact O-CA 3.49Å; V62-L99 HydrophobicContact CB-CB 4.05Å; V62-L99 HydrophobicContact CB-CD1 4.36Å; V62-L99 HydrophobicContact CB-CG 4.28Å; V62-L99 HydrophobicContact CG2-CB 4.27Å; V62-L99 HydrophobicContact CG2-CD1 3.99Å; V62-L99 HydrophobicContact CG2-CG 4.42Å; V62-L99 PolarHBondContact N-O 3.2Å; V62-L99 VanDerWaalsContact N-O 3.15Å; V62-L99 PolarHBondContact O-N 3.33Å; V62-V138 HydrophobicContact CG2-CG1 4.07Å
63D86.1Confident86.2Confident114 Ų11455.9 Ų55.961%0.6132%0.319SS*.SBendtrans-77.3-27.5-179.1-171.935.7000112.7I60 M98I60-D63 HydrophobicContact CG2-CB 3.98Å; D63-M98 WeakPolarHBondContact O-CG 3.15Å; D63-M98 WeakPolarHBondContact OD1-CE 3.38Å
64N86.1Confident85.8Confident78 Ų7862.6 Ų62.642%0.41736%0.363SS..  trans-160.7121.2171.7-169.3-20.3000110.3L66N64-L66 PolarHBondContact O-N 3.36Å; N64-L66 WeakPolarHBondContact OD1-CA 3.4Å; N64-L66 PolarHBondContact OD1-N 3.17Å
65M85.1Confident85.6Confident4 Ų464.2 Ų64.22%0.0238%0.375CS..  trans-73.7-13.5177.2-67.3-178.1-72.400113.8L39 V62 I67 L80 L92 Q97 L99 V123L39-M65 WeakPolarHBondContact CD2-O 3.32Å; V62-M65 HydrophobicContact CG1-CG 3.8Å; M65-I67 VanDerWaalsContact C-N 3.28Å; M65-I67 HydrophobicContact CB-CD1 4.01Å; M65-I67 HydrophobicContact CB-CG1 3.97Å; M65-I67 HydrophobicContact CE-CD1 4.22Å; M65-I67 PolarHBondContact O-N 2.91Å; M65-I67 HydrophobicContact SD-CD1 4.26Å; M65-L80 HydrophobicContact CE-CD1 3.97Å; M65-L92 HydrophobicContact CE-CD1 3.5Å; M65-L92 VanDerWaalsContact CE-CD1 3.5Å; M65-Q97 HydrophobicContact CB-CB 4.28Å; M65-Q97 HydrophobicContact CE-CB 3.87Å; M65-Q97 WeakPolarHBondContact CG-O 3.38Å; M65-Q97 PolarHBondContact N-O 2.78Å; M65-L99 HydrophobicContact SD-CD1 4.19Å; M65-L99 HydrophobicContact SD-CD2 4.4Å; M65-L99 HydrophobicContact SD-CG 4.15Å; M65-V123 HydrophobicContact CE-CG1 3.95Å; M65-V123 HydrophobicContact CE-CG2 4.43Å; M65-V123 HydrophobicContact SD-CB 4.08Å; M65-V123 HydrophobicContact SD-CG1 3.94Å; M65-V123 HydrophobicContact SD-CG2 3.64Å
66L87.1Confident85.5Confident73 Ų7365.1 Ų65.138%0.38238%0.38SS..  trans5739179.1-61.3168.4000112.9A40 N64A40-L66 HydrophobicContact CB-CB 4.35Å; A40-L66 WeakPolarHBondContact CB-O 3.41Å; A40-L66 PolarHBondContact N-O 2.82Å; N64-L66 PolarHBondContact O-N 3.36Å; N64-L66 WeakPolarHBondContact OD1-CA 3.4Å; N64-L66 PolarHBondContact OD1-N 3.17Å
67I87.3Confident85.6Confident6 Ų655.8 Ų55.83%0.03135%0.347CS..BIsolated β-bridgetrans-81.8124.5174.1-59.5171.3000108.2L39 M65 G69 I78 L80 Q97 V123 C125L39-I67 HydrophobicContact CD2-CG1 4.15Å; M65-I67 VanDerWaalsContact C-N 3.28Å; M65-I67 HydrophobicContact CB-CD1 4.01Å; M65-I67 HydrophobicContact CB-CG1 3.97Å; M65-I67 HydrophobicContact CE-CD1 4.22Å; M65-I67 PolarHBondContact O-N 2.91Å; M65-I67 HydrophobicContact SD-CD1 4.26Å; I67-G69 PolarHBondContact O-N 3.33Å; I67-I78 HydrophobicContact CG2-CD1 4.01Å; I67-L80 HydrophobicContact CD1-CD1 4.27Å; I67-L80 HydrophobicContact CD1-CD2 3.79Å; I67-L80 HydrophobicContact CG2-CD2 4.41Å; I67-Q97 PolarHBondContact O-NE2 3.42Å; I67-Q97 PolarHBondContact O-OE1 3.32Å; I67-V123 HydrophobicContact CD1-CG1 4.16Å; I67-C125 HydrophobicContact CG2-CB 4.33Å
68K85.1Confident85.6Confident69 Ų6952 Ų5230%0.333%0.326SS..SBendtrans-63.6131.2177.5-70.8-177.2175.3-175.30110.5E35 D36 C37 K38 A40E35-K68 HydrophobicContact CB-CD 4.28Å; E35-K68 IonicContact OE1-NZ 3.85Å; E35-K68 IonicContact OE2-NZ 2.66Å; E35-K68 PolarHBondContact OE2-NZ 3.28Å; D36-K68 WeakPolarHBondContact CA-O 3.47Å; C37-K68 PolarHBondContact N-O 3.42Å; K38-K68 WeakPolarHBondContact O-CB 3.38Å; K38-K68 WeakPolarHBondContact O-CG 3.36Å; K38-K68 PolarHBondContact O-N 3.42Å; A40-K68 HydrophobicContact CB-CG 3.99Å
69G86.1Confident85.8Confident23 Ų2354.7 Ų54.724%0.23733%0.328CS..SBendtrans120.8159.5-178.800000112.6D36 I67 T77 Q97D36-G69 VanDerWaalsContact OD1-CA 3.29Å; D36-G69 WeakPolarHBondContact OD1-CA 3.26Å; D36-G69 PolarHBondContact OD1-N 2.86Å; I67-G69 PolarHBondContact O-N 3.33Å; G69-T77 WeakPolarHBondContact CA-OG1 3.47Å; G69-Q97 PolarHBondContact O-NE2 3.39Å
70T85Confident85.9Confident79 Ų7953 Ų5349%0.48532%0.317SS..  trans-105.7115.2179.542.10000110.4P76 T77 I78T70-P76 CarbonylContact O-C 3.29Å; T70-P76 WeakPolarHBondContact O-CA 3.18Å; T70-T77 PolarHBondContact N-OG1 3.5Å; T70-T77 PolarHBondContact O-N 3.41Å; T70-I78 PolarHBondContact O-N 2.89Å
71A84.2Confident86Confident22 Ų2250.4 Ų50.418%0.18231%0.307CS..  trans-84.8-21.9178.300000113.8P76 I78 P94A71-P76 WeakPolarHBondContact O-CB 3.48Å; A71-I78 WeakPolarHBondContact CA-O 3.41Å; A71-I78 HydrophobicContact CB-CG1 4.05Å; A71-P94 WeakPolarHBondContact CB-O 3.41Å
72G78.6Confident86Confident24 Ų2451.6 Ų51.625%0.24731%0.313CS..SBendtrans-114.4167.7178.900000113.3
73G78.8Confident86.1Confident59 Ų5955.4 Ų55.461%0.60833%0.329SS*.SBendtrans99.5176.6-175.900000113.1D75G73-D75 PolarHBondContact O-N 2.85Å
74P79.8Confident86.3Confident142 Ų14254.6 Ų54.692%0.92233%0.325SS*.SBendtrans-67.6-16.4-176.425.6-32.8000114
75D82.1Confident86.4Confident140 Ų14052.1 Ų52.175%0.74931%0.311SS*.SBendtrans-137.570.8-176-137.35000111.2G73G73-D75 PolarHBondContact O-N 2.85Å
76P84.5Confident86.2Confident41 Ų4157 Ų5727%0.26634%0.341SS..  trans-72.4129.7-175.629.7-33.8000111.3T70 A71 K128T70-P76 CarbonylContact O-C 3.29Å; T70-P76 WeakPolarHBondContact O-CA 3.18Å; A71-P76 WeakPolarHBondContact O-CB 3.48Å; P76-K128 HydrophobicContact CG-CD 4.43Å
77T88.1Confident86Confident16 Ų1658.2 Ų58.210%0.09835%0.348CS..SBendtrans-91.2-21.6-179.673.90000113.1D36 G69 T70 K128D36-T77 WeakPolarHBondContact OD2-CB 3.28Å; D36-T77 PolarHBondContact OD2-OG1 2.74Å; G69-T77 WeakPolarHBondContact CA-OG1 3.47Å; T70-T77 PolarHBondContact N-OG1 3.5Å; T70-T77 PolarHBondContact O-N 3.41Å; T77-K128 PolarHBondContact O-N 2.7Å
78I89.5Confident86Confident0 Ų066 Ų660%038%0.379CS..EExtended strand (participates in β ladder)trans-130.3159.2176.862.4171.1000111.4D36 I67 T70 A71 L80 V126D36-I78 HydrophobicContact CB-CG2 3.76Å; I67-I78 HydrophobicContact CG2-CD1 4.01Å; T70-I78 PolarHBondContact O-N 2.89Å; A71-I78 WeakPolarHBondContact CA-O 3.41Å; A71-I78 HydrophobicContact CB-CG1 4.05Å; I78-L80 HydrophobicContact CD1-CD2 4.23Å; I78-L80 HydrophobicContact CD1-CG 4.36Å; I78-V126 CarbonylContact C-O 3.53Å; I78-V126 VanDerWaalsContact CA-O 3.27Å; I78-V126 WeakPolarHBondContact CA-O 3.37Å
79E90.1Very high86.2Confident97 Ų9763.6 Ų63.645%0.45337%0.367SS..EExtended strand (participates in β ladder)trans-128.9128.6170.6178171.6164.300109.3C125 V126 K128E79-C125 CarbonylContact O-C 3.39Å; E79-C125 WeakPolarHBondContact O-CA 3.29Å; E79-V126 HydrophobicContact CB-CB 4.37Å; E79-V126 PolarHBondContact N-O 3.46Å; E79-V126 PolarHBondContact O-N 3.2Å; E79-K128 HydrophobicContact CB-CD 4.49Å; E79-K128 WeakPolarHBondContact OE2-CE 3.32Å; E79-K128 IonicContact OE2-NZ 2.84Å; E79-K128 PolarHBondContact OE2-NZ 2.95Å
80L91.8Very high86.4Confident12 Ų1262.6 Ų62.66%0.06336%0.357CS..EExtended strand (participates in β ladder)trans-110.4132.3-178.2-60.2-178.6000110.1M65 I67 I78 L92 P94 Q97 V123 Q124 C125M65-L80 HydrophobicContact CE-CD1 3.97Å; I67-L80 HydrophobicContact CD1-CD1 4.27Å; I67-L80 HydrophobicContact CD1-CD2 3.79Å; I67-L80 HydrophobicContact CG2-CD2 4.41Å; I78-L80 HydrophobicContact CD1-CD2 4.23Å; I78-L80 HydrophobicContact CD1-CG 4.36Å; L80-L92 HydrophobicContact CB-CD2 4.01Å; L80-P94 HydrophobicContact CB-CB 4.03Å; L80-Q97 HydrophobicContact CD1-CB 4.28Å; L80-Q97 HydrophobicContact CD1-CG 3.76Å; L80-V123 HydrophobicContact CB-CG1 4.4Å; L80-V123 HydrophobicContact CD2-CG1 4.19Å; L80-Q124 WeakPolarHBondContact CA-O 3.25Å; L80-C125 HydrophobicContact CD2-CB 3.52Å; L80-C125 VanDerWaalsContact CD2-SG 3.56Å
81S91.9Very high86.7Confident35 Ų3562.9 Ų62.925%0.24536%0.355CS..EExtended strand (participates in β ladder)trans-137.6150.4171.768.60000111.5V123 Q124S81-V123 WeakPolarHBondContact O-CA 3.13Å; S81-Q124 PolarHBondContact N-O 2.95Å; S81-Q124 PolarHBondContact O-N 2.87Å; S81-Q124 PolarHBondContact OG-OE1 2.79Å
82L91.1Very high87.1Confident39 Ų3963.4 Ų63.420%0.20436%0.355CS..EExtended strand (participates in β ladder)trans-83.8131.9173.1-89.9159.4000110.2N85 V90 L92 L99 V121 V123L82-N85 HydrophobicContact CB-CB 4.47Å; L82-V90 HydrophobicContact CD1-CB 4.38Å; L82-V90 HydrophobicContact CD1-CG1 4.12Å; L82-V90 HydrophobicContact CD2-CB 4.36Å; L82-V90 HydrophobicContact CD2-CG1 4.11Å; L82-L92 HydrophobicContact CD1-CB 3.28Å; L82-L92 HydrophobicContact CG-CB 3.72Å; L82-L92 HydrophobicContact CG-CD2 4.22Å; L82-L99 HydrophobicContact CD1-CD2 4.45Å; L82-L99 HydrophobicContact CD2-CD2 4.33Å; L82-V121 HydrophobicContact CD2-CB 3.81Å; L82-V121 HydrophobicContact CD2-CG1 4.34Å; L82-V121 HydrophobicContact CD2-CG2 3.78Å; L82-V123 HydrophobicContact CD2-CG2 4.29Å
83K90.6Very high87.7Confident90 Ų9064.2 Ų64.239%0.39135%0.353SS..EExtended strand (participates in β ladder)trans-121.7158170.1-61.9-61.9-179.9-1750109N85 Q122 Q124K83-N85 PolarHBondContact O-N 3.48Å; K83-Q122 HydrophobicContact CB-CB 4.18Å; K83-Q122 PolarHBondContact N-O 2.79Å; K83-Q122 PolarHBondContact O-N 2.8Å; K83-Q124 HydrophobicContact CG-CB 3.94Å
84D89.5Confident88.2Confident98 Ų9863.8 Ų63.852%0.52434%0.34SS..SBendtrans56.221179.8-50.8-27.9000114.9V86D84-V86 PolarHBondContact O-N 3.12Å
85N88.3Confident88.6Confident25 Ų2561.5 Ų61.513%0.13432%0.323CS..  trans-79.763.8176-17128.4000110.8L82 K83 D87 Y88 W89 V90 V121L82-N85 HydrophobicContact CB-CB 4.47Å; K83-N85 PolarHBondContact O-N 3.48Å; N85-D87 PolarHBondContact O-N 2.83Å; N85-Y88 PolarHBondContact O-N 3.36Å; N85-W89 PolarHBondContact OD1-N 2.82Å; N85-V90 PolarHBondContact ND2-O 2.73Å; N85-V90 PolarHBondContact OD1-N 2.84Å; N85-V121 HydrophobicContact CB-CG1 4.02Å
86V80.8Confident88.9Confident107 Ų10761 Ų6165%0.64831%0.314SS*.G310 helixtrans-56.6135.2175.2-173.20000108.4D84 Y88D84-V86 PolarHBondContact O-N 3.12Å; V86-Y88 PolarHBondContact O-N 2.65Å
87D82Confident89.2Confident98 Ų9859.9 Ų59.952%0.52431%0.305SS..G310 helixtrans59.510.2-174.4-58.8-36.3000115.7N85 W89 R106N85-D87 PolarHBondContact O-N 2.83Å; D87-W89 VanDerWaalsContact C-N 3.29Å; D87-W89 PolarHBondContact O-N 2.96Å; D87-R106 PolarHBondContact O-NH1 3.23Å; D87-R106 PolarHBondContact O-NH2 3.33Å
88Y88.9Confident89.4Confident171 Ų17159.9 Ų59.967%0.67130%0.304SS*.G310 helixtrans57.234.6173.6-53.8-81.5000115.1N85 V86 V90 N102N85-Y88 PolarHBondContact O-N 3.36Å; V86-Y88 PolarHBondContact O-N 2.65Å; Y88-V90 PolarHBondContact O-N 2.79Å; Y88-N102 WeakPolarHBondContact O-CB 3.39Å; Y88-N102 PolarHBondContact O-ND2 2.77Å
89W88.3Confident89.5Confident17 Ų1759.9 Ų59.96%0.06430%0.304CS..  trans-66.2-20.7178.1-76.7110.1000114.2N85 D87 L101 N102 R106 L108 I116 I119N85-W89 PolarHBondContact OD1-N 2.82Å; D87-W89 VanDerWaalsContact C-N 3.29Å; D87-W89 PolarHBondContact O-N 2.96Å; W89-L101 HydrophobicContact CE3-CD1 4.18Å; W89-N102 PolarHBondContact O-N 2.83Å; W89-R106 HydrophobicContact CH2-CB 3.73Å; W89-R106 HydrophobicContact CZ2-CB 4.46Å; W89-R106 HydrophobicContact CZ3-CB 4.28Å; W89-L108 HydrophobicContact CE3-CD1 4.42Å; W89-L108 HydrophobicContact CH2-CB 4.46Å; W89-L108 HydrophobicContact CH2-CD1 4.44Å; W89-L108 HydrophobicContact CZ3-CB 4.13Å; W89-L108 HydrophobicContact CZ3-CD1 4.31Å; W89-I116 HydrophobicContact CH2-CD1 4.23Å; W89-I116 HydrophobicContact CZ2-CD1 3.34Å; W89-I119 HydrophobicContact CB-CD1 3.78Å; W89-I119 HydrophobicContact CB-CG1 4.33Å; W89-I119 HydrophobicContact CB-CG2 4.06Å; W89-I119 HydrophobicContact CD2-CD1 4.28Å; W89-I119 HydrophobicContact CG-CD1 3.87Å; W89-I119 HydrophobicContact CG-CG1 4.3Å
90V90.9Very high89.6Confident2 Ų257.5 Ų57.51%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-115.7134.6-176.5-1730000110.7L61 L82 N85 Y88 L99 F100 I119 V121 I140L61-V90 HydrophobicContact CD1-CB 4.44Å; L61-V90 HydrophobicContact CD1-CG1 4.02Å; L61-V90 HydrophobicContact CD1-CG2 3.98Å; L82-V90 HydrophobicContact CD1-CB 4.38Å; L82-V90 HydrophobicContact CD1-CG1 4.12Å; L82-V90 HydrophobicContact CD2-CB 4.36Å; L82-V90 HydrophobicContact CD2-CG1 4.11Å; N85-V90 PolarHBondContact ND2-O 2.73Å; N85-V90 PolarHBondContact OD1-N 2.84Å; Y88-V90 PolarHBondContact O-N 2.79Å; V90-L99 HydrophobicContact CG1-CB 3.9Å; V90-L99 HydrophobicContact CG1-CD1 4.21Å; V90-L99 HydrophobicContact CG1-CD2 3.8Å; V90-L99 HydrophobicContact CG1-CG 4.18Å; V90-F100 CarbonylContact C-O 3.56Å; V90-F100 WeakPolarHBondContact CA-O 3.18Å; V90-I119 HydrophobicContact CG2-CG2 4.04Å; V90-V121 HydrophobicContact CB-CG1 4.16Å; V90-V121 HydrophobicContact CG1-CG2 4.42Å; V90-V121 HydrophobicContact CG2-CG1 3.66Å; V90-V121 HydrophobicContact CG2-CG2 4.16Å; V90-I140 HydrophobicContact CG2-CD1 3.54Å
91L90.9Very high89.5Confident85 Ų8557 Ų5745%0.44529%0.29SS..EExtended strand (participates in β ladder)trans-107.3134.7167.4-75.7161.5000109.3L99 F100 N102L91-L99 CarbonylContact O-C 3.49Å; L91-L99 VanDerWaalsContact O-CA 3.31Å; L91-L99 WeakPolarHBondContact O-CA 3.39Å; L91-F100 HydrophobicContact CB-CB 4.29Å; L91-F100 PolarHBondContact N-O 2.85Å; L91-F100 PolarHBondContact O-N 3.44Å; L91-N102 HydrophobicContact CD1-CB 3.64Å; L91-N102 HydrophobicContact CG-CB 3.69Å
92L91.9Very high89.5Confident34 Ų3456.2 Ų56.218%0.17828%0.283CS..EExtended strand (participates in β ladder)trans-103.6125.1175.7169.267.3000109.4M65 L80 L82 P94 L99M65-L92 HydrophobicContact CE-CD1 3.5Å; M65-L92 VanDerWaalsContact CE-CD1 3.5Å; L80-L92 HydrophobicContact CB-CD2 4.01Å; L82-L92 HydrophobicContact CD1-CB 3.28Å; L82-L92 HydrophobicContact CG-CB 3.72Å; L82-L92 HydrophobicContact CG-CD2 4.22Å; L92-P94 HydrophobicContact CD2-CB 4.38Å; L92-P94 HydrophobicContact CG-CB 4.3Å; L92-P94 VanDerWaalsContact O-CD 3.27Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å; L92-L99 HydrophobicContact CB-CD2 3.91Å; L92-L99 HydrophobicContact CD1-CD2 3.66Å; L92-L99 HydrophobicContact CG-CD2 4.39Å
93D92.2Very high89Confident40 Ų4055.1 Ų55.121%0.21428%0.278CS..EExtended strand (participates in β ladder)trans-91.6101.1156.4179.9-17.5000107.4V95 K96 Q97 M98 F100D93-V95 VanDerWaalsContact C-N 3.27Å; D93-V95 PolarHBondContact O-N 3.37Å; D93-V95 PolarHBondContact OD1-N 2.88Å; D93-K96 HydrophobicContact CB-CB 4.48Å; D93-K96 PolarHBondContact OD1-N 3.47Å; D93-K96 VanDerWaalsContact OD1-N 3.12Å; D93-K96 VanDerWaalsContact OD2-CD 3.31Å; D93-K96 WeakPolarHBondContact OD2-CD 3.06Å; D93-K96 WeakPolarHBondContact OD2-CG 3.33Å; D93-Q97 WeakPolarHBondContact O-CA 3.42Å; D93-Q97 PolarHBondContact O-N 3.09Å; D93-M98 HydrophobicContact CB-CB 4.25Å; D93-M98 PolarHBondContact N-O 2.82Å; D93-M98 PolarHBondContact O-N 2.81Å; D93-M98 VanDerWaalsContact O-N 3.1Å; D93-F100 HydrophobicContact CB-CE2 3.87Å
94P89.3Confident88.5Confident50 Ų5054.9 Ų54.933%0.32529%0.285SS..THydrogen-bonded Turntrans-69-27.7-174.527.8-34.5000112.1A71 L80 L92A71-P94 WeakPolarHBondContact CB-O 3.41Å; L80-P94 HydrophobicContact CB-CB 4.03Å; L92-P94 HydrophobicContact CD2-CB 4.38Å; L92-P94 HydrophobicContact CG-CB 4.3Å; L92-P94 VanDerWaalsContact O-CD 3.27Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å
95V88.2Confident87.9Confident94 Ų9454.4 Ų54.457%0.5730%0.303SS*.THydrogen-bonded Turntrans-73.3-44.4-177.2177.40000110.3D93 Q97D93-V95 VanDerWaalsContact C-N 3.27Å; D93-V95 PolarHBondContact O-N 3.37Å; D93-V95 PolarHBondContact OD1-N 2.88Å; V95-Q97 VanDerWaalsContact C-N 3.34Å
96K88.6Confident87.7Confident130 Ų13057.4 Ų57.457%0.56531%0.313SS*.THydrogen-bonded Turntrans-86-8.3177.5-62.8-174.8-172.31680113.7D93 M98D93-K96 HydrophobicContact CB-CB 4.48Å; D93-K96 PolarHBondContact OD1-N 3.47Å; D93-K96 VanDerWaalsContact OD1-N 3.12Å; D93-K96 VanDerWaalsContact OD2-CD 3.31Å; D93-K96 WeakPolarHBondContact OD2-CD 3.06Å; D93-K96 WeakPolarHBondContact OD2-CG 3.33Å; K96-M98 HydrophobicContact CB-CB 4.35Å; K96-M98 HydrophobicContact CB-CG 3.85Å; K96-M98 HydrophobicContact CB-SD 3.96Å; K96-M98 HydrophobicContact CD-SD 3.84Å; K96-M98 PolarHBondContact O-N 3.3Å
97Q89.8Confident87.8Confident18 Ų1856.5 Ų56.58%0.08431%0.307CS..THydrogen-bonded Turntrans55.939.6-171.8-47.1-171.24.400112.2M65 I67 G69 L80 D93 V95M65-Q97 HydrophobicContact CB-CB 4.28Å; M65-Q97 HydrophobicContact CE-CB 3.87Å; M65-Q97 WeakPolarHBondContact CG-O 3.38Å; M65-Q97 PolarHBondContact N-O 2.78Å; I67-Q97 PolarHBondContact O-NE2 3.42Å; I67-Q97 PolarHBondContact O-OE1 3.32Å; G69-Q97 PolarHBondContact O-NE2 3.39Å; L80-Q97 HydrophobicContact CD1-CB 4.28Å; L80-Q97 HydrophobicContact CD1-CG 3.76Å; D93-Q97 WeakPolarHBondContact O-CA 3.42Å; D93-Q97 PolarHBondContact O-N 3.09Å; V95-Q97 VanDerWaalsContact C-N 3.34Å
98M92Very high88Confident16 Ų1651.9 Ų51.98%0.07928%0.283CS..EExtended strand (participates in β ladder)trans-104.4144.6-179.7-73.9178.279.500111.4I60 V62 D63 D93 K96 F100I60-M98 HydrophobicContact CB-CE 4.48Å; I60-M98 HydrophobicContact CD1-CE 3.71Å; I60-M98 HydrophobicContact CG1-CE 3.83Å; I60-M98 HydrophobicContact CG2-CE 3.82Å; V62-M98 CarbonylContact O-C 3.33Å; V62-M98 VanDerWaalsContact O-CA 3.25Å; V62-M98 WeakPolarHBondContact O-CA 3.49Å; D63-M98 WeakPolarHBondContact O-CG 3.15Å; D63-M98 WeakPolarHBondContact OD1-CE 3.38Å; D93-M98 HydrophobicContact CB-CB 4.25Å; D93-M98 PolarHBondContact N-O 2.82Å; D93-M98 PolarHBondContact O-N 2.81Å; D93-M98 VanDerWaalsContact O-N 3.1Å; K96-M98 HydrophobicContact CB-CB 4.35Å; K96-M98 HydrophobicContact CB-CG 3.85Å; K96-M98 HydrophobicContact CB-SD 3.96Å; K96-M98 HydrophobicContact CD-SD 3.84Å; K96-M98 PolarHBondContact O-N 3.3Å; M98-F100 HydrophobicContact CB-CD2 4.47Å; M98-F100 HydrophobicContact CB-CE2 3.68Å; M98-F100 HydrophobicContact CB-CZ 3.9Å; M98-F100 HydrophobicContact CE-CE1 3.71Å; M98-F100 HydrophobicContact CE-CE2 4.46Å; M98-F100 HydrophobicContact CE-CZ 3.51Å; M98-F100 HydrophobicContact CG-CZ 4.49Å; M98-F100 HydrophobicContact SD-CZ 3.85Å
99L92.3Very high88Confident0 Ų046.4 Ų46.40%027%0.265CS..EExtended strand (participates in β ladder)trans-112.3133.8169.3-61.3-179.8000109.8L61 V62 M65 L82 V90 L91 L92 V123 V138L61-L99 HydrophobicContact CB-CB 4.07Å; L61-L99 WeakPolarHBondContact CB-O 3.39Å; L61-L99 PolarHBondContact N-O 2.87Å; V62-L99 HydrophobicContact CB-CB 4.05Å; V62-L99 HydrophobicContact CB-CD1 4.36Å; V62-L99 HydrophobicContact CB-CG 4.28Å; V62-L99 HydrophobicContact CG2-CB 4.27Å; V62-L99 HydrophobicContact CG2-CD1 3.99Å; V62-L99 HydrophobicContact CG2-CG 4.42Å; V62-L99 PolarHBondContact N-O 3.2Å; V62-L99 VanDerWaalsContact N-O 3.15Å; V62-L99 PolarHBondContact O-N 3.33Å; M65-L99 HydrophobicContact SD-CD1 4.19Å; M65-L99 HydrophobicContact SD-CD2 4.4Å; M65-L99 HydrophobicContact SD-CG 4.15Å; L82-L99 HydrophobicContact CD1-CD2 4.45Å; L82-L99 HydrophobicContact CD2-CD2 4.33Å; V90-L99 HydrophobicContact CG1-CB 3.9Å; V90-L99 HydrophobicContact CG1-CD1 4.21Å; V90-L99 HydrophobicContact CG1-CD2 3.8Å; V90-L99 HydrophobicContact CG1-CG 4.18Å; L91-L99 CarbonylContact O-C 3.49Å; L91-L99 VanDerWaalsContact O-CA 3.31Å; L91-L99 WeakPolarHBondContact O-CA 3.39Å; L92-L99 HydrophobicContact CB-CD2 3.91Å; L92-L99 HydrophobicContact CD1-CD2 3.66Å; L92-L99 HydrophobicContact CG-CD2 4.39Å; L99-V123 HydrophobicContact CD1-CG2 4.39Å; L99-V123 HydrophobicContact CD2-CG2 4.37Å; L99-V138 HydrophobicContact CD1-CB 4.14Å; L99-V138 HydrophobicContact CD1-CG1 3.91Å; L99-V138 HydrophobicContact CD1-CG2 3.88Å
100F91.7Very high88Confident47 Ų4748.2 Ų48.221%0.20627%0.272CS..EExtended strand (participates in β ladder)trans-119.5146.9176.8-56.7-90.4000110.5T59 I60 L61 V90 L91 D93 M98T59-F100 CarbonylContact O-C 3.54Å; T59-F100 WeakPolarHBondContact O-CA 3.24Å; I60-F100 HydrophobicContact CG1-CD1 3.96Å; I60-F100 HydrophobicContact CG1-CE1 3.72Å; L61-F100 VanDerWaalsContact CD1-C 3.49Å; V90-F100 CarbonylContact C-O 3.56Å; V90-F100 WeakPolarHBondContact CA-O 3.18Å; L91-F100 HydrophobicContact CB-CB 4.29Å; L91-F100 PolarHBondContact N-O 2.85Å; L91-F100 PolarHBondContact O-N 3.44Å; D93-F100 HydrophobicContact CB-CE2 3.87Å; M98-F100 HydrophobicContact CB-CD2 4.47Å; M98-F100 HydrophobicContact CB-CE2 3.68Å; M98-F100 HydrophobicContact CB-CZ 3.9Å; M98-F100 HydrophobicContact CE-CE1 3.71Å; M98-F100 HydrophobicContact CE-CE2 4.46Å; M98-F100 HydrophobicContact CE-CZ 3.51Å; M98-F100 HydrophobicContact CG-CZ 4.49Å; M98-F100 HydrophobicContact SD-CZ 3.85Å
101L90.9Very high87.8Confident0 Ų048.3 Ų48.30%027%0.272CS..EExtended strand (participates in β ladder)trans-68.9133.2168.9-178.669.6000109.3I51 S55 N57 G58 T59 L61 W89 L108I51-L101 HydrophobicContact CD1-CB 4.03Å; I51-L101 HydrophobicContact CD1-CD1 4.44Å; I51-L101 HydrophobicContact CD1-CD2 3.72Å; I51-L101 HydrophobicContact CD1-CG 4.27Å; S55-L101 VanDerWaalsContact O-CD2 3.26Å; S55-L101 WeakPolarHBondContact O-CD2 3.1Å; N57-L101 PolarHBondContact OD1-O 3.22Å; G58-L101 WeakPolarHBondContact CA-O 3.45Å; G58-L101 PolarHBondContact N-O 2.8Å; T59-L101 PolarHBondContact O-N 3.3Å; L61-L101 HydrophobicContact CD1-CB 4.32Å; L61-L101 HydrophobicContact CD2-CB 4.3Å; L61-L101 HydrophobicContact CG-CB 4.21Å; W89-L101 HydrophobicContact CE3-CD1 4.18Å; L101-L108 HydrophobicContact CD1-CD2 4.15Å; L101-L108 HydrophobicContact CD2-CD2 4.38Å
102N90.5Very high87.3Confident20 Ų2047.7 Ų47.711%0.10727%0.273CS..  trans-11688.7174.8-176.323.7000111N57 Y88 W89 L91 T104 R106N57-N102 VanDerWaalsContact OD1-CA 3.3Å; N57-N102 WeakPolarHBondContact OD1-CA 3.18Å; Y88-N102 WeakPolarHBondContact O-CB 3.39Å; Y88-N102 PolarHBondContact O-ND2 2.77Å; W89-N102 PolarHBondContact O-N 2.83Å; L91-N102 HydrophobicContact CD1-CB 3.64Å; L91-N102 HydrophobicContact CG-CB 3.69Å; N102-T104 PolarHBondContact OD1-OG1 3.35Å; N102-R106 PolarHBondContact O-NH2 3.15Å
103S81.3Confident86.5Confident15 Ų1552.5 Ų52.511%0.10531%0.306CS..  trans-103.530.5179.772.80000111.9N57 G105 R106N57-S103 WeakPolarHBondContact CA-OG 3.13Å; N57-S103 VanDerWaalsContact CB-OG 3.29Å; N57-S103 WeakPolarHBondContact CB-OG 3.12Å; N57-S103 PolarHBondContact N-OG 2.94Å; N57-S103 VanDerWaalsContact N-OG 3.12Å; N57-S103 PolarHBondContact OD1-N 2.91Å; S103-G105 PolarHBondContact O-N 3.23Å; S103-R106 VanDerWaalsContact CB-O 3.28Å; S103-R106 WeakPolarHBondContact CB-O 3.07Å; S103-R106 PolarHBondContact O-N 3.1Å
104T79.6Confident85.6Confident85 Ų8558.3 Ų58.352%0.52133%0.334SS..THydrogen-bonded Turntrans-56.4102-179.934.40000111.8N57 N102 R106N57-T104 WeakPolarHBondContact ND2-CG2 3.21Å; N102-T104 PolarHBondContact OD1-OG1 3.35Å; T104-R106 VanDerWaalsContact C-N 3.33Å; T104-R106 PolarHBondContact O-N 2.9Å
105G78.2Confident85.2Confident89 Ų8959.2 Ų59.292%0.91834%0.336SS*.THydrogen-bonded Turntrans778.518000000115.8S103S103-G105 PolarHBondContact O-N 3.23Å
106R84.3Confident85.1Confident87 Ų8756.6 Ų56.633%0.32832%0.319SS..  trans-133.4145.3-177.6-60.9174.4-63.7177.65.3109.8D87 W89 N102 S103 T104D87-R106 PolarHBondContact O-NH1 3.23Å; D87-R106 PolarHBondContact O-NH2 3.33Å; W89-R106 HydrophobicContact CH2-CB 3.73Å; W89-R106 HydrophobicContact CZ2-CB 4.46Å; W89-R106 HydrophobicContact CZ3-CB 4.28Å; N102-R106 PolarHBondContact O-NH2 3.15Å; S103-R106 VanDerWaalsContact CB-O 3.28Å; S103-R106 WeakPolarHBondContact CB-O 3.07Å; S103-R106 PolarHBondContact O-N 3.1Å; T104-R106 VanDerWaalsContact C-N 3.33Å; T104-R106 PolarHBondContact O-N 2.9Å
107V82.1Confident84.9Confident89 Ų8954.9 Ų54.954%0.53931%0.312SS..  trans-95.9132.9173.4-175.40000107.4E54 D109E54-V107 HydrophobicContact CB-CG1 4.4Å; E54-V107 HydrophobicContact CG-CG1 3.96Å; V107-D109 PolarHBondContact O-N 2.9Å
108L87Confident84.8Confident1 Ų156 Ų561%0.00532%0.323CS..  trans-78.6103.3169.4179.766.8000105.8I51 E53 E54 W89 L101 I116 I119 V142I51-L108 HydrophobicContact CG2-CD2 3.74Å; E53-L108 CarbonylContact C-O 3.58Å; E53-L108 WeakPolarHBondContact CA-O 3.35Å; E53-L108 WeakPolarHBondContact CB-O 3.42Å; E54-L108 PolarHBondContact N-O 3.02Å; W89-L108 HydrophobicContact CE3-CD1 4.42Å; W89-L108 HydrophobicContact CH2-CB 4.46Å; W89-L108 HydrophobicContact CH2-CD1 4.44Å; W89-L108 HydrophobicContact CZ3-CB 4.13Å; W89-L108 HydrophobicContact CZ3-CD1 4.31Å; L101-L108 HydrophobicContact CD1-CD2 4.15Å; L101-L108 HydrophobicContact CD2-CD2 4.38Å; L108-I116 HydrophobicContact CD1-CB 4.12Å; L108-I116 HydrophobicContact CD1-CD1 4.2Å; L108-I116 HydrophobicContact CD1-CG2 3.98Å; L108-I119 HydrophobicContact CD1-CD1 3.77Å; L108-V142 HydrophobicContact CD1-CG2 3.98Å; L108-V142 HydrophobicContact CD2-CG1 4.18Å; L108-V142 HydrophobicContact CD2-CG2 3.97Å; L108-V142 HydrophobicContact CG-CG1 4.15Å; L108-V142 HydrophobicContact CG-CG2 4.12Å
109D87.6Confident84.7Confident56 Ų5656 Ų5630%0.29932%0.322SS..  trans-118.7129.2-171.9-175.40.2000108.5V107 D111 I116V107-D109 PolarHBondContact O-N 2.9Å; D109-D111 PolarHBondContact OD1-N 2.97Å; D109-I116 PolarHBondContact O-N 3.31Å
110R88.6Confident84.5Confident55 Ų5558.8 Ų58.821%0.20834%0.339CS..  trans-92.1-14.7179.7-163.5-177.8170.5-175.4-8.2111.1E53 N115 V142 D186E53-R110 HydrophobicContact CB-CB 4.31Å; E53-R110 WeakPolarHBondContact OE2-CA 3.29Å; E53-R110 WeakPolarHBondContact OE2-CB 3.42Å; E53-R110 PolarHBondContact OE2-N 3.06Å; R110-N115 WeakPolarHBondContact O-CB 3.36Å; R110-V142 HydrophobicContact CB-CG1 4.06Å; R110-V142 WeakPolarHBondContact CD-O 3.44Å; R110-V142 HydrophobicContact CG-CG1 4.39Å; R110-V142 PolarHBondContact NH1-O 3.16Å; R110-D186 IonicContact CZ-OD2 3.39Å; R110-D186 VanDerWaalsContact CZ-OD2 3.26Å; R110-D186 IonicContact NE-OD2 2.79Å; R110-D186 PolarHBondContact NE-OD2 2.78Å; R110-D186 IonicContact NH2-OD2 3.26Å; R110-D186 PolarHBondContact NH2-OD2 2.92Å
111D87.8Confident84.5Confident4 Ų456.6 Ų56.62%0.02133%0.33CS..SBendtrans-90.6149-173-61-42.6000113.1D109 N148 I184D109-D111 PolarHBondContact OD1-N 2.97Å; D111-N148 PolarHBondContact OD2-ND2 2.98Å; D111-I184 HydrophobicContact CB-CD1 4.06Å; D111-I184 HydrophobicContact CB-CG1 4.27Å
112P80.2Confident84.5Confident72 Ų7259.1 Ų59.147%0.46834%0.342SS..THydrogen-bonded Turntrans-61.6151.8176-15.528000111.6
113P74.3Confident84.5Confident134 Ų13458.1 Ų58.187%0.8734%0.337SS*.THydrogen-bonded Turncis-94.4-9.914.834.2-35.3000115.1
114M73.6Confident85Confident163 Ų16358.9 Ų58.980%0.80334%0.338SS*.SBendtrans-114.754.5-175.3-147.2-168.6-61.700110.9
115N81.5Confident85.6Confident68 Ų6854.9 Ų54.936%0.36431%0.314SS..  trans-79138.5-170.752.9-8.7000115R110 H117R110-N115 WeakPolarHBondContact O-CB 3.36Å; N115-H117 PolarHBondContact ND2-CE1 2.88Å; N115-H117 PolarHBondContact ND2-NE2 3.14Å; N115-H117 VanDerWaalsContact ND2-NE2 3.13Å
116I84.3Confident86.2Confident39 Ų3952.4 Ų52.420%0.228%0.281CS..  trans-119.399.2173.2-56.6177.4000109.6W89 L108 D109 I119 V142W89-I116 HydrophobicContact CH2-CD1 4.23Å; W89-I116 HydrophobicContact CZ2-CD1 3.34Å; L108-I116 HydrophobicContact CD1-CB 4.12Å; L108-I116 HydrophobicContact CD1-CD1 4.2Å; L108-I116 HydrophobicContact CD1-CG2 3.98Å; D109-I116 PolarHBondContact O-N 3.31Å; I116-I119 HydrophobicContact CG2-CD1 4.37Å; I116-I119 HydrophobicContact CG2-CG1 3.82Å; I116-V142 HydrophobicContact CG2-CG2 4.42Å; I116-V142 VanDerWaalsContact O-CB 3.32Å; I116-V142 WeakPolarHBondContact O-CB 3.43Å; I116-V142 WeakPolarHBondContact O-CG2 3.33Å
117H85Confident86.5Confident94 Ų9448.3 Ų48.344%0.43527%0.265SS..  trans-78.7-33.9178.3-59.7150.5000113.9N115 V142N115-H117 PolarHBondContact ND2-CE1 2.88Å; N115-H117 PolarHBondContact ND2-NE2 3.14Å; N115-H117 VanDerWaalsContact ND2-NE2 3.13Å; H117-V142 PolarHBondContact O-N 2.78Å
118S88.4Confident86.6Confident43 Ų4349 Ų4930%0.30126%0.261SS..EExtended strand (participates in β ladder)trans-155.9142.5177.968.30000112.5I140S118-I140 CarbonylContact C-O 3.58Å; S118-I140 WeakPolarHBondContact CA-O 3.27Å; S118-I140 WeakPolarHBondContact CB-O 3.37Å
119I88.5Confident86.5Confident14 Ų1453.1 Ų53.17%0.07228%0.279CS..EExtended strand (participates in β ladder)trans-106.9123.9173.1-60.2154.7000107.5W89 V90 L108 I116 V121 I140W89-I119 HydrophobicContact CB-CD1 3.78Å; W89-I119 HydrophobicContact CB-CG1 4.33Å; W89-I119 HydrophobicContact CB-CG2 4.06Å; W89-I119 HydrophobicContact CD2-CD1 4.28Å; W89-I119 HydrophobicContact CG-CD1 3.87Å; W89-I119 HydrophobicContact CG-CG1 4.3Å; V90-I119 HydrophobicContact CG2-CG2 4.04Å; L108-I119 HydrophobicContact CD1-CD1 3.77Å; I116-I119 HydrophobicContact CG2-CD1 4.37Å; I116-I119 HydrophobicContact CG2-CG1 3.82Å; I119-V121 HydrophobicContact CG2-CG1 4.13Å; I119-I140 HydrophobicContact CB-CB 4.19Å; I119-I140 HydrophobicContact CB-CD1 4.13Å; I119-I140 HydrophobicContact CG2-CD1 4.06Å; I119-I140 PolarHBondContact N-O 2.69Å; I119-I140 PolarHBondContact O-N 2.88Å
120V89.7Confident86.2Confident59 Ų5953 Ų5336%0.35828%0.28SS..EExtended strand (participates in β ladder)trans-113.2124177.2-175.60000108.4E137 V138 R139V120-E137 HydrophobicContact CG1-CG 3.83Å; V120-V138 WeakPolarHBondContact CA-O 3.45Å; V120-R139 HydrophobicContact CG2-CB 4.45Å; V120-R139 HydrophobicContact CG2-CG 4.03Å
121V91.5Very high85.9Confident1 Ų152.9 Ų52.91%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-128.8152.5175.5-60.90000110.3L82 N85 V90 I119 V138L82-V121 HydrophobicContact CD2-CB 3.81Å; L82-V121 HydrophobicContact CD2-CG1 4.34Å; L82-V121 HydrophobicContact CD2-CG2 3.78Å; N85-V121 HydrophobicContact CB-CG1 4.02Å; V90-V121 HydrophobicContact CB-CG1 4.16Å; V90-V121 HydrophobicContact CG1-CG2 4.42Å; V90-V121 HydrophobicContact CG2-CG1 3.66Å; V90-V121 HydrophobicContact CG2-CG2 4.16Å; I119-V121 HydrophobicContact CG2-CG1 4.13Å; V121-V138 HydrophobicContact CG2-CB 3.93Å; V121-V138 PolarHBondContact N-O 3.21Å; V121-V138 PolarHBondContact O-N 2.78Å
122Q90.7Very high85.9Confident53 Ų5355.7 Ų55.725%0.24831%0.313CS..EExtended strand (participates in β ladder)trans-110.5128.3172.9-69.1-166.9-3.500110.4K83 H136K83-Q122 HydrophobicContact CB-CB 4.18Å; K83-Q122 PolarHBondContact N-O 2.79Å; K83-Q122 PolarHBondContact O-N 2.8Å; Q122-H136 CarbonylContact C-O 3.58Å; Q122-H136 WeakPolarHBondContact CA-O 3.04Å
123V90.3Very high86.2Confident0 Ų055.3 Ų55.30%031%0.31CS..EExtended strand (participates in β ladder)trans-94106.6170.91800000107.9M65 I67 L80 S81 L82 L99 C125 H136 V138M65-V123 HydrophobicContact CE-CG1 3.95Å; M65-V123 HydrophobicContact CE-CG2 4.43Å; M65-V123 HydrophobicContact SD-CB 4.08Å; M65-V123 HydrophobicContact SD-CG1 3.94Å; M65-V123 HydrophobicContact SD-CG2 3.64Å; I67-V123 HydrophobicContact CD1-CG1 4.16Å; L80-V123 HydrophobicContact CB-CG1 4.4Å; L80-V123 HydrophobicContact CD2-CG1 4.19Å; S81-V123 WeakPolarHBondContact O-CA 3.13Å; L82-V123 HydrophobicContact CD2-CG2 4.29Å; L99-V123 HydrophobicContact CD1-CG2 4.39Å; L99-V123 HydrophobicContact CD2-CG2 4.37Å; V123-C125 PolarHBondContact O-N 3.33Å; V123-H136 HydrophobicContact CB-CB 4.4Å; V123-H136 PolarHBondContact N-O 2.83Å; V123-H136 PolarHBondContact O-N 2.98Å; V123-V138 HydrophobicContact CG2-CG2 4.29Å
124Q92.5Very high86.9Confident31 Ų3151.5 Ų51.515%0.14528%0.281CS..EExtended strand (participates in β ladder)trans-78.6116.8174.1-179.8-178.553.600108.6L80 S81 K83 V126 V133 Y135L80-Q124 WeakPolarHBondContact CA-O 3.25Å; S81-Q124 PolarHBondContact N-O 2.95Å; S81-Q124 PolarHBondContact O-N 2.87Å; S81-Q124 PolarHBondContact OG-OE1 2.79Å; K83-Q124 HydrophobicContact CG-CB 3.94Å; Q124-V126 HydrophobicContact CG-CG2 4.31Å; Q124-V133 HydrophobicContact CG-CG1 3.56Å; Q124-Y135 HydrophobicContact CB-CD1 3.89Å; Q124-Y135 HydrophobicContact CB-CE1 3.78Å; Q124-Y135 HydrophobicContact CG-CD1 4.1Å; Q124-Y135 HydrophobicContact CG-CE1 3.62Å; Q124-Y135 PolarHBondContact NE2-OH 2.91Å
125C91.2Very high87.6Confident0 Ų049.6 Ų49.60%027%0.266CS..EExtended strand (participates in β ladder)trans-103122.1170.3-174.30000110.3C37 I67 E79 L80 V123 V133 I134C37-C125 WeakPolarHBondContact CA-SG 3.38Å; C37-C125 HydrophobicContact CB-CB 3.64Å; C37-C125 WeakPolarHBondContact CB-SG 3.38Å; C37-C125 WeakPolarHBondContact SG-CB 3.31Å; C37-C125 PolarHBondContact SG-O 3.05Å; C37-C125 VanDerWaalsContact SG-O 3.39Å; C37-C125 CovalentContact SG-SG 2.04Å; C37-C125 PolarHBondContact SG-SG 3.22Å; I67-C125 HydrophobicContact CG2-CB 4.33Å; E79-C125 CarbonylContact O-C 3.39Å; E79-C125 WeakPolarHBondContact O-CA 3.29Å; L80-C125 HydrophobicContact CD2-CB 3.52Å; L80-C125 VanDerWaalsContact CD2-SG 3.56Å; V123-C125 PolarHBondContact O-N 3.33Å; C125-V133 CarbonylContact O-C 3.58Å; C125-V133 WeakPolarHBondContact O-CA 3.27Å; C125-I134 PolarHBondContact N-O 3.27Å; C125-I134 PolarHBondContact O-N 2.76Å
126V91.4Very high87.9Confident38 Ų3847 Ų4723%0.2325%0.252CS..EExtended strand (participates in β ladder)trans-104.7118.9173.2-176.10000108.5C37 I78 E79 Q124 K128 V133C37-V126 VanDerWaalsContact SG-C 3.5Å; I78-V126 CarbonylContact C-O 3.53Å; I78-V126 VanDerWaalsContact CA-O 3.27Å; I78-V126 WeakPolarHBondContact CA-O 3.37Å; E79-V126 HydrophobicContact CB-CB 4.37Å; E79-V126 PolarHBondContact N-O 3.46Å; E79-V126 PolarHBondContact O-N 3.2Å; Q124-V126 HydrophobicContact CG-CG2 4.31Å; V126-K128 PolarHBondContact O-N 3.27Å; V126-V133 HydrophobicContact CG1-CG2 4.34Å; V126-V133 HydrophobicContact CG2-CG1 4.37Å; V126-V133 HydrophobicContact CG2-CG2 4.09Å
127N89.5Confident88.2Confident0 Ų048.8 Ų48.80%026%0.26CS..EExtended strand (participates in β ladder)trans-76.7114172178.4-28.8000108.2Q33 D36 C37 K129 V130 G131 T132Q33-N127 PolarHBondContact O-ND2 3.1Å; D36-N127 HydrophobicContact CB-CB 4.49Å; D36-N127 VanDerWaalsContact CB-ND2 3.32Å; D36-N127 WeakPolarHBondContact CB-ND2 3.29Å; D36-N127 PolarHBondContact O-ND2 2.78Å; C37-N127 PolarHBondContact SG-N 2.98Å; C37-N127 VanDerWaalsContact SG-N 3.36Å; N127-K129 VanDerWaalsContact C-N 3.28Å; N127-K129 PolarHBondContact O-N 3.09Å; N127-K129 WeakPolarHBondContact OD1-CB 3.27Å; N127-K129 PolarHBondContact OD1-N 2.73Å; N127-V130 PolarHBondContact OD1-N 2.84Å; N127-V130 VanDerWaalsContact OD1-N 3.16Å; N127-G131 WeakPolarHBondContact O-CA 3.44Å; N127-G131 PolarHBondContact O-N 3.28Å; N127-T132 WeakPolarHBondContact CB-OG1 3.41Å; N127-T132 PolarHBondContact N-O 2.73Å
128K86Confident88.4Confident104 Ų10444.4 Ų44.445%0.45224%0.239SC..THydrogen-bonded Turntrans-72.4-20.5-175.8-76-172.2155.8161.80113.9P76 T77 E79 V126P76-K128 HydrophobicContact CG-CD 4.43Å; T77-K128 PolarHBondContact O-N 2.7Å; E79-K128 HydrophobicContact CB-CD 4.49Å; E79-K128 WeakPolarHBondContact OE2-CE 3.32Å; E79-K128 IonicContact OE2-NZ 2.84Å; E79-K128 PolarHBondContact OE2-NZ 2.95Å; V126-K128 PolarHBondContact O-N 3.27Å
129K82.9Confident88.5Confident87 Ų8747.9 Ų47.938%0.37825%0.246SC..THydrogen-bonded Turntrans-81.3-41.7-179.5-67.3-178.9173.6169.20112.1W32 Q33 N127W32-K129 VanDerWaalsContact CH2-NZ 3.32Å; Q33-K129 HydrophobicContact CB-CD 4.42Å; Q33-K129 HydrophobicContact CG-CD 4.28Å; N127-K129 VanDerWaalsContact C-N 3.28Å; N127-K129 PolarHBondContact O-N 3.09Å; N127-K129 WeakPolarHBondContact OD1-CB 3.27Å; N127-K129 PolarHBondContact OD1-N 2.73Å
130V83.2Confident88.6Confident53 Ų5347.2 Ų47.232%0.32124%0.242SC..THydrogen-bonded Turntrans-107.4-18.9-173.4-166.60000112.2Q33 Y34 N127 T132Q33-V130 WeakPolarHBondContact O-CG2 3.36Å; Y34-V130 HydrophobicContact CD1-CG1 4.07Å; Y34-V130 HydrophobicContact CD1-CG2 4.3Å; Y34-V130 HydrophobicContact CE1-CG1 3.76Å; Y34-V130 HydrophobicContact CE1-CG2 4.43Å; N127-V130 PolarHBondContact OD1-N 2.84Å; N127-V130 VanDerWaalsContact OD1-N 3.16Å; V130-T132 VanDerWaalsContact C-N 3.3Å; V130-T132 HydrophobicContact CB-CG2 4.4Å; V130-T132 HydrophobicContact CG1-CG2 4Å
131G81.3Confident88.6Confident53 Ų5347 Ų4755%0.54624%0.241SC..  trans78.88.6-176.300000114.3N127N127-G131 WeakPolarHBondContact O-CA 3.44Å; N127-G131 PolarHBondContact O-N 3.28Å
132T87.2Confident88.5Confident63 Ų6346.9 Ų46.939%0.38724%0.241SC..  trans-73.5146.9176.952.40000111.2N127 V130N127-T132 WeakPolarHBondContact CB-OG1 3.41Å; N127-T132 PolarHBondContact N-O 2.73Å; V130-T132 VanDerWaalsContact C-N 3.3Å; V130-T132 HydrophobicContact CB-CG2 4.4Å; V130-T132 HydrophobicContact CG1-CG2 4Å
133V87.8Confident88.4Confident65 Ų6550.3 Ų50.339%0.39425%0.251SS..EExtended strand (participates in β ladder)trans-121.1128.5179.5-174.80000109.3Q124 C125 V126 Y135Q124-V133 HydrophobicContact CG-CG1 3.56Å; C125-V133 CarbonylContact O-C 3.58Å; C125-V133 WeakPolarHBondContact O-CA 3.27Å; V126-V133 HydrophobicContact CG1-CG2 4.34Å; V126-V133 HydrophobicContact CG2-CG1 4.37Å; V126-V133 HydrophobicContact CG2-CG2 4.09Å; V133-Y135 HydrophobicContact CG1-CE1 4.47Å; V133-Y135 HydrophobicContact CG1-CE2 4.02Å
134I87.7Confident88.3Confident53 Ų5351.4 Ų51.427%0.27226%0.257SS..EExtended strand (participates in β ladder)trans-124.9132.8177-58.5-179.3000108.6C37 K38 C125C37-I134 HydrophobicContact CB-CB 4.12Å; C37-I134 HydrophobicContact CB-CD1 3.82Å; C37-I134 HydrophobicContact CB-CG1 4.09Å; K38-I134 HydrophobicContact CG-CD1 4.19Å; C125-I134 PolarHBondContact N-O 3.27Å; C125-I134 PolarHBondContact O-N 2.76Å
135Y88.9Confident88Confident123 Ų12355.7 Ų55.748%0.48227%0.272SS..EExtended strand (participates in β ladder)trans-100.7126.7176.6-61.7-85.1000110Q124 V133Q124-Y135 HydrophobicContact CB-CD1 3.89Å; Q124-Y135 HydrophobicContact CB-CE1 3.78Å; Q124-Y135 HydrophobicContact CG-CD1 4.1Å; Q124-Y135 HydrophobicContact CG-CE1 3.62Å; Q124-Y135 PolarHBondContact NE2-OH 2.91Å; V133-Y135 HydrophobicContact CG1-CE1 4.47Å; V133-Y135 HydrophobicContact CG1-CE2 4.02Å
136H88.4Confident88Confident13 Ų1356.5 Ų56.56%0.0628%0.276CS..EExtended strand (participates in β ladder)trans-108.6115.7174.7-63.4-70.4000109.4C37 Q122 V123C37-H136 PolarHBondContact O-CE1 3.48Å; C37-H136 VanDerWaalsContact O-CE1 3.31Å; C37-H136 PolarHBondContact O-NE2 3.31Å; Q122-H136 CarbonylContact C-O 3.58Å; Q122-H136 WeakPolarHBondContact CA-O 3.04Å; V123-H136 HydrophobicContact CB-CB 4.4Å; V123-H136 PolarHBondContact N-O 2.83Å; V123-H136 PolarHBondContact O-N 2.98Å
137E90.2Very high87.8Confident78 Ų7856.4 Ų56.436%0.36428%0.275SS..EExtended strand (participates in β ladder)trans-77.9133.9176.8-170.8178.210200110.5A46 T47 V120A46-E137 CarbonylContact C-O 3.55Å; A46-E137 WeakPolarHBondContact CA-O 3.47Å; A46-E137 HydrophobicContact CB-CB 4.16Å; T47-E137 PolarHBondContact N-O 2.96Å; V120-E137 HydrophobicContact CG1-CG 3.83Å
138V89.7Confident87.8Confident1 Ų158.8 Ų58.81%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-122.4117.6171.6-174.40000108.3T47 V49 V62 L99 V120 V121 V123 I140T47-V138 CarbonylContact O-C 3.6Å; T47-V138 WeakPolarHBondContact O-CA 3.1Å; V49-V138 HydrophobicContact CG2-CG1 3.93Å; V62-V138 HydrophobicContact CG2-CG1 4.07Å; L99-V138 HydrophobicContact CD1-CB 4.14Å; L99-V138 HydrophobicContact CD1-CG1 3.91Å; L99-V138 HydrophobicContact CD1-CG2 3.88Å; V120-V138 WeakPolarHBondContact CA-O 3.45Å; V121-V138 HydrophobicContact CG2-CB 3.93Å; V121-V138 PolarHBondContact N-O 3.21Å; V121-V138 PolarHBondContact O-N 2.78Å; V123-V138 HydrophobicContact CG2-CG2 4.29Å; V138-I140 HydrophobicContact CG1-CG1 4.35Å
139R90.5Very high88.1Confident116 Ų11656 Ų5644%0.43828%0.281SS..EExtended strand (participates in β ladder)trans-107.3114.6177-176.2167.9-163.4-167.93.6109.4T47 I48 V49 V120 V141T47-R139 PolarHBondContact O-N 2.82Å; I48-R139 WeakPolarHBondContact CA-O 3.46Å; I48-R139 HydrophobicContact CG1-CB 4.45Å; V49-R139 PolarHBondContact N-O 2.81Å; V120-R139 HydrophobicContact CG2-CB 4.45Å; V120-R139 HydrophobicContact CG2-CG 4.03Å; R139-V141 HydrophobicContact CG-CG2 4.47Å
140I89.7Confident88.6Confident0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-98.3113.8177.4-58.9140.9000107V49 I51 L61 V90 S118 I119 V138V49-I140 HydrophobicContact CG2-CG1 3.92Å; V49-I140 CarbonylContact O-C 3.57Å; V49-I140 VanDerWaalsContact O-CA 3.26Å; V49-I140 WeakPolarHBondContact O-CA 3.42Å; I51-I140 HydrophobicContact CB-CG2 4.3Å; I51-I140 HydrophobicContact CG2-CG2 3.48Å; I51-I140 VanDerWaalsContact CG2-CG2 3.48Å; L61-I140 HydrophobicContact CD1-CD1 3.77Å; L61-I140 HydrophobicContact CD1-CG1 4.38Å; L61-I140 HydrophobicContact CD2-CD1 4.42Å; L61-I140 HydrophobicContact CD2-CG1 4.25Å; L61-I140 HydrophobicContact CD2-CG2 3.82Å; V90-I140 HydrophobicContact CG2-CD1 3.54Å; S118-I140 CarbonylContact C-O 3.58Å; S118-I140 WeakPolarHBondContact CA-O 3.27Å; S118-I140 WeakPolarHBondContact CB-O 3.37Å; I119-I140 HydrophobicContact CB-CB 4.19Å; I119-I140 HydrophobicContact CB-CD1 4.13Å; I119-I140 HydrophobicContact CG2-CD1 4.06Å; I119-I140 PolarHBondContact N-O 2.69Å; I119-I140 PolarHBondContact O-N 2.88Å; V138-I140 HydrophobicContact CG1-CG1 4.35Å
141V90.2Very high89Confident54 Ų5453.2 Ų53.233%0.32727%0.271SS..EExtended strand (participates in β ladder)trans-92.2126.8175.8-1770000108.1I48 V49 A50 I51 R139I48-V141 HydrophobicContact CG2-CG2 4.05Å; V49-V141 PolarHBondContact O-N 2.88Å; A50-V141 VanDerWaalsContact CA-O 3.28Å; A50-V141 WeakPolarHBondContact CA-O 3.48Å; I51-V141 PolarHBondContact N-O 2.89Å; R139-V141 HydrophobicContact CG-CG2 4.47Å
142V89.4Confident89.5Confident0 Ų052 Ų520%025%0.251CS..EExtended strand (participates in β ladder)trans-83124.6176-171.90000108.1I51 E53 L108 R110 I116 H117I51-V142 HydrophobicContact CG2-CG2 4.45Å; I51-V142 CarbonylContact O-C 3.56Å; I51-V142 WeakPolarHBondContact O-CA 3.2Å; E53-V142 HydrophobicContact CB-CG1 3.75Å; L108-V142 HydrophobicContact CD1-CG2 3.98Å; L108-V142 HydrophobicContact CD2-CG1 4.18Å; L108-V142 HydrophobicContact CD2-CG2 3.97Å; L108-V142 HydrophobicContact CG-CG1 4.15Å; L108-V142 HydrophobicContact CG-CG2 4.12Å; R110-V142 HydrophobicContact CB-CG1 4.06Å; R110-V142 WeakPolarHBondContact CD-O 3.44Å; R110-V142 HydrophobicContact CG-CG1 4.39Å; R110-V142 PolarHBondContact NH1-O 3.16Å; I116-V142 HydrophobicContact CG2-CG2 4.42Å; I116-V142 VanDerWaalsContact O-CB 3.32Å; I116-V142 WeakPolarHBondContact O-CB 3.43Å; I116-V142 WeakPolarHBondContact O-CG2 3.33Å; H117-V142 PolarHBondContact O-N 2.78Å
143R87.7Confident89.7Confident124 Ų12454.9 Ų54.947%0.46826%0.258SS..EExtended strand (participates in β ladder)trans-93138.5175.8-64.9-174-64.4-165.8-0.2108.6A50 I51 D52 E53A50-R143 HydrophobicContact CB-CG 3.98Å; I51-R143 PolarHBondContact O-N 3.17Å; D52-R143 IonicContact OD1-CZ 3.07Å; D52-R143 IonicContact OD1-NE 3.92Å; D52-R143 PolarHBondContact OD1-NE 3.31Å; D52-R143 IonicContact OD1-NH2 2.7Å; D52-R143 PolarHBondContact OD1-NH2 2.88Å; D52-R143 IonicContact OD2-NH2 3.92Å; E53-R143 PolarHBondContact N-O 2.81Å
144D88.5Confident89.8Confident24 Ų2455.7 Ų55.713%0.12826%0.257CS..PPolyproline II helixtrans-66.1140.5178.7-166.781.6000111.2E53 D186 N189E53-D144 WeakPolarHBondContact OE1-CA 3.18Å; D144-D186 HydrophobicContact CB-CB 4.25Å; D144-D186 VanDerWaalsContact CG-N 3.29Å; D144-D186 VanDerWaalsContact OD1-CB 3.29Å; D144-D186 WeakPolarHBondContact OD1-CB 3.25Å; D144-D186 PolarHBondContact OD1-N 2.92Å; D144-D186 PolarHBondContact OD2-N 2.99Å; D144-N189 VanDerWaalsContact OD2-CB 3.29Å; D144-N189 WeakPolarHBondContact OD2-CB 3.15Å; D144-N189 PolarHBondContact OD2-ND2 2.61Å
145R87.6Confident89.8Confident120 Ų12062.1 Ų62.145%0.45329%0.286SS..  trans-115.6142.9164.6-81.3-156.8175.3-105.6-10.2108.8D52 E53 D147D52-R145 HydrophobicContact CB-CG 4.18Å; D52-R145 IonicContact OD2-CZ 3.63Å; D52-R145 IonicContact OD2-NE 3.73Å; D52-R145 IonicContact OD2-NH2 2.84Å; D52-R145 PolarHBondContact OD2-NH2 3.32Å; E53-R145 HydrophobicContact CG-CB 3.94Å; E53-R145 HydrophobicContact CG-CG 4.27Å; E53-R145 PolarHBondContact OE1-N 2.78Å; R145-D147 PolarHBondContact O-N 2.96Å
146N89.8Confident89.9Confident17 Ų1759.5 Ų59.59%0.09129%0.286CS..  trans-74.172176.1-16069.4000111.4D185 N189 D241 A243 E248 R250N146-D185 VanDerWaalsContact CA-OD2 3.26Å; N146-D185 WeakPolarHBondContact CA-OD2 3.1Å; N146-D185 PolarHBondContact OD1-OD2 3.2Å; N146-N189 HydrophobicContact CB-CB 4.16Å; N146-N189 PolarHBondContact N-ND2 3.06Å; N146-N189 WeakPolarHBondContact OD1-CA 3.39Å; N146-N189 WeakPolarHBondContact OD1-CB 3.45Å; N146-D241 PolarHBondContact ND2-OD2 3.41Å; N146-D241 PolarHBondContact OD1-OD2 3.4Å; N146-A243 HydrophobicContact CB-CB 4.22Å; N146-E248 PolarHBondContact ND2-O 2.92Å; N146-R250 PolarHBondContact O-NE 3.43Å
147D88.2Confident90.2Very high37 Ų3759.5 Ų59.520%0.19829%0.286CS..  trans-107.2-10.4-17577.3-16.2000114.2R145 D185 R250R145-D147 PolarHBondContact O-N 2.96Å; D147-D185 PolarHBondContact N-OD2 3.5Å; D147-R250 VanDerWaalsContact C-CZ 3.43Å; D147-R250 PolarHBondContact O-NH1 2.96Å; D147-R250 PolarHBondContact O-NH2 2.87Å
148N89.9Confident90.4Very high49 Ų4962 Ų6226%0.26229%0.293SS..SBendtrans-102.2153.7167.9-57.6-77.9000111.6D111 I184 D185 R250D111-N148 PolarHBondContact OD2-ND2 2.98Å; N148-I184 HydrophobicContact CB-CD1 4.3Å; N148-I184 HydrophobicContact CB-CG1 3.79Å; N148-I184 WeakPolarHBondContact ND2-CG1 3.42Å; N148-D185 WeakPolarHBondContact CB-OD1 3.43Å; N148-D185 PolarHBondContact N-OD1 3.43Å; N148-D185 PolarHBondContact N-OD2 2.93Å; N148-D185 PolarHBondContact ND2-OD1 3.31Å; N148-R250 WeakPolarHBondContact O-CD 3.48Å
149S91.3Very high90.5Very high45 Ų4562.5 Ų62.532%0.31530%0.297SS..  trans-106.2149.2175.3-58.20000108.5T151 R250S149-T151 PolarHBondContact O-N 3.45Å; S149-R250 WeakPolarHBondContact OG-CB 3.37Å; S149-R250 PolarHBondContact OG-NH1 2.91Å
150P93.5Very high90.6Very high0 Ų060.5 Ų60.50%030%0.297CS..  trans-56.2139.8175.2-24.331.5000111A181 D183 I192 A239 D241 T252P150-A181 HydrophobicContact CB-CB 4.34Å; P150-D183 HydrophobicContact CB-CB 4.4Å; P150-D183 WeakPolarHBondContact CD-OD2 3.34Å; P150-D183 HydrophobicContact CG-CB 4.38Å; P150-D183 WeakPolarHBondContact CG-OD2 3.4Å; P150-D183 VanDerWaalsContact N-OD2 3.1Å; P150-I192 HydrophobicContact CB-CD1 4.14Å; P150-I192 HydrophobicContact CB-CG1 4.2Å; P150-I192 HydrophobicContact CG-CG1 4.35Å; P150-A239 HydrophobicContact CB-CB 4.29Å; P150-D241 HydrophobicContact CG-CB 4.11Å; P150-T252 WeakPolarHBondContact O-CB 3.47Å; P150-T252 PolarHBondContact O-OG1 2.83Å
151T91.6Very high90.8Very high82 Ų8260.9 Ų60.950%0.50330%0.3SS..EExtended strand (participates in β ladder)trans-123.8125.717953.50000110.9S149 A181 T182S149-T151 PolarHBondContact O-N 3.45Å; T151-A181 CarbonylContact O-C 3.58Å; T151-A181 WeakPolarHBondContact O-CA 3.41Å; T151-T182 PolarHBondContact N-O 2.8Å; T151-T182 PolarHBondContact O-N 2.86Å; T151-T182 PolarHBondContact OG1-O 3.34Å
152F93Very high90.8Very high28 Ų2861.1 Ų61.112%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-73.3140.7171.3-75.5-79.4000110.4H154 Y157 F175 A181 Y194 I237 A239 T252 T254F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 WeakPolarHBondContact CB-O 3.22Å; F152-H154 PolarHBondContact O-N 3.19Å; F152-Y157 HydrophobicContact CB-CE2 4.34Å; F152-Y157 AromaticContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CE1-CE2 4.47Å; F152-Y157 HydrophobicContact CG-CE2 4.31Å; F152-F175 HydrophobicContact CD1-CD1 4.42Å; F152-F175 HydrophobicContact CD1-CE1 4.38Å; F152-F175 AromaticContact CE1-CD1 3.95Å; F152-F175 HydrophobicContact CE1-CD1 3.95Å; F152-F175 AromaticContact CE1-CE1 3.88Å; F152-F175 HydrophobicContact CE1-CE1 3.88Å; F152-A181 HydrophobicContact CD1-CB 3.82Å; F152-A181 HydrophobicContact CD2-CB 4.4Å; F152-A181 HydrophobicContact CE1-CB 3.89Å; F152-A181 HydrophobicContact CE2-CB 4.45Å; F152-A181 HydrophobicContact CG-CB 4.1Å; F152-A181 HydrophobicContact CZ-CB 4.21Å; F152-Y194 HydrophobicContact CE1-CD1 4.21Å; F152-Y194 AromaticContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CZ-CD1 4.15Å; F152-Y194 AromaticContact CZ-CE1 3.92Å; F152-Y194 HydrophobicContact CZ-CE1 3.92Å; F152-I237 HydrophobicContact CZ-CG2 4.15Å; F152-A239 HydrophobicContact CE1-CB 4.33Å; F152-A239 HydrophobicContact CE2-CB 3.68Å; F152-A239 HydrophobicContact CZ-CB 3.51Å; F152-T252 HydrophobicContact CD2-CG2 4.14Å; F152-T254 HydrophobicContact CD1-CG2 3.77Å; F152-T254 HydrophobicContact CD2-CG2 3.72Å; F152-T254 HydrophobicContact CE1-CG2 3.58Å; F152-T254 HydrophobicContact CE2-CG2 3.55Å; F152-T254 HydrophobicContact CG-CG2 3.82Å; F152-T254 HydrophobicContact CZ-CG2 3.48Å; F152-T254 VanDerWaalsContact CZ-CG2 3.48Å
153K89.7Confident91Very high123 Ų12361.5 Ų61.554%0.53530%0.301SS..SBendtrans-63.7-35.8175.4-175.7169.8-177.5179.30114D178 G180K153-D178 WeakPolarHBondContact CD-O 3.42Å; K153-D178 PolarHBondContact NZ-O 3.48Å; K153-G180 PolarHBondContact N-O 3.35Å
154H90.3Very high91.1Very high82 Ų8260 Ų6038%0.3830%0.302SS..SBendtrans-117144.4179-54.897000110.2F152 S156 Y157 N179F152-H154 VanDerWaalsContact C-N 3.31Å; F152-H154 WeakPolarHBondContact CB-O 3.22Å; F152-H154 PolarHBondContact O-N 3.19Å; H154-S156 WeakPolarHBondContact CB-O 3.49Å; H154-S156 PolarHBondContact O-N 2.82Å; H154-Y157 HydrophobicContact CB-CE1 4.17Å; H154-Y157 HydrophobicContact CB-CE2 4.2Å; H154-Y157 PolarHBondContact N-OH 3.37Å; H154-Y157 AromaticContact ND1-CE1 3.56Å; H154-Y157 AromaticContact ND1-CZ 3.85Å; H154-N179 PolarHBondContact CE1-OD1 3.15Å; H154-N179 VanDerWaalsContact CE1-OD1 3.27Å
155E88.6Confident91.2Very high188 Ų18860.2 Ų60.288%0.87930%0.304SS*.SBendtrans-63.3-32.2176.5-65.2-173.7164.900112.1T254E155-T254 PolarHBondContact O-OG1 3.19Å
156S91.2Very high91.4Very high68 Ų6858.7 Ų58.748%0.47631%0.31SS..EExtended strand (participates in β ladder)trans-147.7157.8176.258.80000111.4H154 T255H154-S156 WeakPolarHBondContact CB-O 3.49Å; H154-S156 PolarHBondContact O-N 2.82Å; S156-T255 WeakPolarHBondContact CA-O 3.26Å; S156-T255 WeakPolarHBondContact CB-O 3.34Å
157Y93.8Very high91.4Very high14 Ų1461.4 Ų61.46%0.05533%0.327CS..EExtended strand (participates in β ladder)trans-120.7155.8176.9-64.1-94.3000110.1F152 H154 F172 F175 N179 T254 T255 L256 T257F152-Y157 HydrophobicContact CB-CE2 4.34Å; F152-Y157 AromaticContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CD1-CE2 3.8Å; F152-Y157 HydrophobicContact CE1-CE2 4.47Å; F152-Y157 HydrophobicContact CG-CE2 4.31Å; H154-Y157 HydrophobicContact CB-CE1 4.17Å; H154-Y157 HydrophobicContact CB-CE2 4.2Å; H154-Y157 PolarHBondContact N-OH 3.37Å; H154-Y157 AromaticContact ND1-CE1 3.56Å; H154-Y157 AromaticContact ND1-CZ 3.85Å; Y157-F172 HydrophobicContact CD1-CE1 4.44Å; Y157-F172 HydrophobicContact CD1-CE2 4.49Å; Y157-F172 AromaticContact CD1-CZ 3.63Å; Y157-F172 HydrophobicContact CD1-CZ 3.63Å; Y157-F172 AromaticContact CG-CZ 3.97Å; Y157-F172 HydrophobicContact CG-CZ 3.97Å; Y157-F175 HydrophobicContact CD1-CE1 4.23Å; Y157-F175 AromaticContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CZ 4.36Å; Y157-F175 HydrophobicContact CE1-CD1 4.41Å; Y157-F175 HydrophobicContact CE1-CE1 4.25Å; Y157-F175 HydrophobicContact CE2-CD1 4.38Å; Y157-F175 AromaticContact CE2-CE1 3.74Å; Y157-F175 HydrophobicContact CE2-CE1 3.74Å; Y157-F175 AromaticContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CZ 4.5Å; Y157-N179 WeakPolarHBondContact CE1-O 3.48Å; Y157-N179 PolarHBondContact OH-O 3.15Å; Y157-T254 HydrophobicContact CD2-CG2 3.82Å; Y157-T254 HydrophobicContact CE2-CG2 3.83Å; Y157-T255 PolarHBondContact N-O 3.08Å; Y157-L256 WeakPolarHBondContact O-CA 3.33Å; Y157-T257 PolarHBondContact O-N 2.99Å
158Y93.4Very high91.5Very high131 Ų13162.1 Ų62.151%0.51434%0.342SS..EExtended strand (participates in β ladder)trans-133.5138.9-176.4-175.8-100.8000110.7T160 T257 D259Y158-T160 HydrophobicContact CE1-CG2 3.67Å; Y158-T160 WeakPolarHBondContact OH-CG2 3.18Å; Y158-T257 WeakPolarHBondContact CA-O 3.42Å; Y158-T257 HydrophobicContact CD2-CG2 4.27Å; Y158-T257 HydrophobicContact CE2-CG2 4.4Å; Y158-D259 HydrophobicContact CE2-CB 4.26Å; Y158-D259 VanDerWaalsContact CE2-OD2 3.27Å; Y158-D259 WeakPolarHBondContact CE2-OD2 3.36Å; Y158-D259 WeakPolarHBondContact OH-CB 3.38Å; Y158-D259 PolarHBondContact OH-OD2 3.35Å
159A93.4Very high91.6Very high11 Ų1162.4 Ų62.49%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-143.7150.3173.200000110.2F172 L256 T257 V258 D259A159-F172 HydrophobicContact CB-CB 4.5Å; A159-F172 HydrophobicContact CB-CD2 4Å; A159-L256 HydrophobicContact CB-CD1 4.25Å; A159-T257 PolarHBondContact N-O 3.31Å; A159-V258 WeakPolarHBondContact O-CA 3.3Å; A159-D259 PolarHBondContact O-N 3.41Å
160T92.2Very high91.7Very high73 Ų7363.3 Ų63.345%0.44835%0.35SS..EExtended strand (participates in β ladder)trans-115.8142.2169.848.30000109.5Y158 D259 L261Y158-T160 HydrophobicContact CE1-CG2 3.67Å; Y158-T160 WeakPolarHBondContact OH-CG2 3.18Å; T160-D259 VanDerWaalsContact CA-O 3.32Å; T160-D259 WeakPolarHBondContact CA-O 3.43Å; T160-D259 HydrophobicContact CG2-CB 4.15Å; T160-L261 HydrophobicContact CG2-CD2 4.4Å
161V93.2Very high91.6Very high9 Ų964.6 Ų64.66%0.05536%0.357CS..EExtended strand (participates in β ladder)trans-139.3129.6179.358.60000109.2T165 I171 L225 V258 D259 V260 L261V161-T165 HydrophobicContact CG2-CG2 4Å; V161-T165 WeakPolarHBondContact CG2-OG1 3.44Å; V161-I171 HydrophobicContact CB-CG2 4.23Å; V161-I171 HydrophobicContact CG2-CG2 3.72Å; V161-L225 HydrophobicContact CB-CD1 4.27Å; V161-L225 HydrophobicContact CG1-CD1 3.42Å; V161-L225 VanDerWaalsContact CG1-CD1 3.42Å; V161-L225 HydrophobicContact CG2-CD1 3.84Å; V161-V258 HydrophobicContact CB-CG1 4.46Å; V161-V258 HydrophobicContact CG1-CG1 3.48Å; V161-V258 VanDerWaalsContact CG1-CG1 3.48Å; V161-D259 PolarHBondContact N-O 3.31Å; V161-V260 CarbonylContact O-C 3.56Å; V161-V260 VanDerWaalsContact O-CA 3.3Å; V161-V260 WeakPolarHBondContact O-CA 3.36Å; V161-L261 PolarHBondContact O-N 2.81Å
162N90.9Very high91.6Very high58 Ų5861.9 Ų61.931%0.3134%0.338SS..EExtended strand (participates in β ladder)trans-72.2139.6174.9-175.1-64.4000109.7L164 T165N162-L164 PolarHBondContact O-N 3.06Å; N162-L164 WeakPolarHBondContact OD1-CB 3.24Å; N162-L164 WeakPolarHBondContact OD1-CG 3.03Å; N162-L164 PolarHBondContact OD1-N 2.71Å; N162-T165 WeakPolarHBondContact O-CB 3.16Å; N162-T165 PolarHBondContact O-N 3.26Å; N162-T165 PolarHBondContact O-OG1 3.44Å
163E92.8Very high91.4Very high8 Ų864.1 Ų64.14%0.03735%0.354CS..THydrogen-bonded Turntrans-62.7-27.4-177.577.9-173.6107.800114.4T165 L225 N226 Y227 V260 L261 D262 G263E163-T165 PolarHBondContact O-N 3.33Å; E163-T165 VanDerWaalsContact O-N 3.12Å; E163-L225 HydrophobicContact CB-CB 4.09Å; E163-N226 WeakPolarHBondContact OE2-CA 3.3Å; E163-Y227 WeakPolarHBondContact OE1-CB 3.41Å; E163-Y227 WeakPolarHBondContact OE2-CB 3.37Å; E163-Y227 PolarHBondContact OE2-N 2.96Å; E163-V260 HydrophobicContact CB-CG1 3.75Å; E163-L261 PolarHBondContact N-O 2.9Å; E163-D262 VanDerWaalsContact OE1-CA 3.29Å; E163-D262 WeakPolarHBondContact OE1-CA 3.41Å; E163-G263 PolarHBondContact OE1-N 3.5Å
164L89.8Confident91.2Very high94 Ų9459.1 Ų59.149%0.49234%0.337SS..THydrogen-bonded Turntrans-69.3-4.3174.5-58173.8000112.6N162 P166 D265N162-L164 PolarHBondContact O-N 3.06Å; N162-L164 WeakPolarHBondContact OD1-CB 3.24Å; N162-L164 WeakPolarHBondContact OD1-CG 3.03Å; N162-L164 PolarHBondContact OD1-N 2.71Å; L164-P166 WeakPolarHBondContact O-CD 3.31Å; L164-D265 HydrophobicContact CD2-CB 3.66Å
165T91.2Very high91Very high28 Ų2855.4 Ų55.417%0.17232%0.32CS..PPolyproline II helixtrans-61.6122.6179.7-60.30000110.6V161 N162 E163 T169 L221V161-T165 HydrophobicContact CG2-CG2 4Å; V161-T165 WeakPolarHBondContact CG2-OG1 3.44Å; N162-T165 WeakPolarHBondContact O-CB 3.16Å; N162-T165 PolarHBondContact O-N 3.26Å; N162-T165 PolarHBondContact O-OG1 3.44Å; E163-T165 PolarHBondContact O-N 3.33Å; E163-T165 VanDerWaalsContact O-N 3.12Å; T165-T169 HydrophobicContact CG2-CG2 3.85Å; T165-L221 HydrophobicContact CG2-CD2 4.25Å; T165-L221 WeakPolarHBondContact O-CD2 3.31Å
166P91.5Very high90.6Very high88 Ų8850 Ų5057%0.57130%0.303SS*.PPolyproline II helixtrans-62.2145.8178.8-23.433.7000112.8L164 G168 T169L164-P166 WeakPolarHBondContact O-CD 3.31Å; P166-G168 PolarHBondContact O-N 2.81Å; P166-T169 WeakPolarHBondContact O-CB 3.28Å; P166-T169 PolarHBondContact O-N 3.4Å; P166-T169 PolarHBondContact O-OG1 2.78Å
167V90.6Very high89.9Confident74 Ų7449.8 Ų49.845%0.44831%0.311SS..THydrogen-bonded Turntrans-58.7137.6170.4174.90000110.1R222 R224V167-R222 WeakPolarHBondContact CG1-O 3.45Å; V167-R224 HydrophobicContact CG2-CG 3.76Å
168G89.7Confident89.2Confident51 Ų5155.7 Ų55.753%0.52634%0.344SS..THydrogen-bonded Turntrans95.7-6.6-175.200000114.1P166 V220 L221P166-G168 PolarHBondContact O-N 2.81Å; G168-V220 VanDerWaalsContact C-CG1 3.48Å; G168-V220 WeakPolarHBondContact O-CG1 3.48Å; G168-L221 PolarHBondContact N-O 2.94Å
169T92.6Very high88.8Confident56 Ų5652.1 Ų52.134%0.34433%0.334SS..  trans-73.7135.1176.4-48.90000110.6T165 P166 I171 V220 L221T165-T169 HydrophobicContact CG2-CG2 3.85Å; P166-T169 WeakPolarHBondContact O-CB 3.28Å; P166-T169 PolarHBondContact O-N 3.4Å; P166-T169 PolarHBondContact O-OG1 2.78Å; T169-I171 PolarHBondContact O-N 2.6Å; T169-V220 WeakPolarHBondContact O-CA 3.08Å; T169-L221 PolarHBondContact O-N 3.01Å
170T92.4Very high88.5Confident64 Ų6451.6 Ų51.639%0.39333%0.33SS..EExtended strand (participates in β ladder)trans-75117.6171.7-54.90000109.2T173 N218 V219T170-T173 HydrophobicContact CG2-CG2 3.57Å; T170-N218 HydrophobicContact CG2-CB 3.91Å; T170-V219 CarbonylContact C-O 3.58Å; T170-V219 WeakPolarHBondContact CA-O 3.41Å
171I91.3Very high88.5Confident27 Ų2748.5 Ų48.514%0.13831%0.311CS..EExtended strand (participates in β ladder)trans-95.1-20.5-176.959.4151000112.9V161 T169 F209 V219 L221 V258V161-I171 HydrophobicContact CB-CG2 4.23Å; V161-I171 HydrophobicContact CG2-CG2 3.72Å; T169-I171 PolarHBondContact O-N 2.6Å; I171-F209 HydrophobicContact CD1-CD1 3.47Å; I171-F209 VanDerWaalsContact CD1-CD1 3.47Å; I171-F209 HydrophobicContact CD1-CE1 3.4Å; I171-F209 HydrophobicContact CD1-CZ 4.4Å; I171-F209 HydrophobicContact CG1-CD1 4.39Å; I171-V219 HydrophobicContact CD1-CG1 4.03Å; I171-V219 HydrophobicContact CG1-CB 4.17Å; I171-V219 HydrophobicContact CG1-CG1 4.03Å; I171-V219 VanDerWaalsContact CG1-O 3.3Å; I171-V219 WeakPolarHBondContact CG1-O 3.18Å; I171-V219 PolarHBondContact N-O 2.91Å; I171-L221 HydrophobicContact CG2-CB 4.12Å; I171-V258 HydrophobicContact CD1-CG1 4.07Å; I171-V258 HydrophobicContact CD1-CG2 4.02Å
172F92.1Very high88.3Confident24 Ų2451.1 Ų51.111%0.10533%0.327CS..EExtended strand (participates in β ladder)trans-150.9128.6-178.3-174.4-98.1000111.8Y157 A159 G174 F175 N218 V219 L256Y157-F172 HydrophobicContact CD1-CE1 4.44Å; Y157-F172 HydrophobicContact CD1-CE2 4.49Å; Y157-F172 AromaticContact CD1-CZ 3.63Å; Y157-F172 HydrophobicContact CD1-CZ 3.63Å; Y157-F172 AromaticContact CG-CZ 3.97Å; Y157-F172 HydrophobicContact CG-CZ 3.97Å; A159-F172 HydrophobicContact CB-CB 4.5Å; A159-F172 HydrophobicContact CB-CD2 4Å; F172-G174 VanDerWaalsContact CZ-CA 3.43Å; F172-F175 AromaticContact CD1-CD2 3.9Å; F172-F175 HydrophobicContact CD1-CD2 3.9Å; F172-F175 AromaticContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CE2 3.59Å; F172-F175 AromaticContact CD1-CZ 3.98Å; F172-F175 HydrophobicContact CD1-CZ 3.98Å; F172-F175 AromaticContact CE1-CD1 3.91Å; F172-F175 HydrophobicContact CE1-CD1 3.91Å; F172-F175 AromaticContact CE1-CD2 3.66Å; F172-F175 HydrophobicContact CE1-CD2 3.66Å; F172-F175 AromaticContact CE1-CE1 3.69Å; F172-F175 HydrophobicContact CE1-CE1 3.69Å; F172-F175 AromaticContact CE1-CE2 3.43Å; F172-F175 HydrophobicContact CE1-CE2 3.43Å; F172-F175 VanDerWaalsContact CE1-CE2 3.43Å; F172-F175 AromaticContact CE1-CG 3.88Å; F172-F175 HydrophobicContact CE1-CG 3.88Å; F172-F175 AromaticContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CE1-CZ 3.42Å; F172-F175 VanDerWaalsContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CZ-CE1 4.35Å; F172-F175 HydrophobicContact CZ-CZ 4.34Å; F172-N218 WeakPolarHBondContact O-CA 3.46Å; F172-V219 HydrophobicContact CB-CB 4.13Å; F172-V219 HydrophobicContact CB-CG2 4.34Å; F172-V219 HydrophobicContact CD1-CG2 4.34Å; F172-V219 PolarHBondContact N-O 3.3Å; F172-V219 PolarHBondContact O-N 3.06Å; F172-L256 HydrophobicContact CB-CD2 4.12Å; F172-L256 HydrophobicContact CD1-CD1 4.37Å; F172-L256 HydrophobicContact CD1-CD2 4.13Å; F172-L256 HydrophobicContact CD2-CD1 3.95Å; F172-L256 HydrophobicContact CE1-CD1 4.48Å; F172-L256 HydrophobicContact CE2-CD1 4.06Å; F172-L256 HydrophobicContact CG-CD1 4.1Å; F172-L256 HydrophobicContact CG-CD2 4.08Å; F172-L256 HydrophobicContact CZ-CD1 4.33Å
173T89.5Confident88.4Confident76 Ų7649.4 Ų49.447%0.46632%0.318SS..  trans-124.611178.556.20000112.6T170 F175 S176T170-T173 HydrophobicContact CG2-CG2 3.57Å; T173-F175 PolarHBondContact O-N 3.2Å; T173-F175 VanDerWaalsContact O-N 3.1Å; T173-S176 PolarHBondContact O-N 2.83Å; T173-S176 PolarHBondContact O-OG 2.9Å
174G85Confident88.2Confident18 Ų1853 Ų5319%0.18634%0.337CS..THydrogen-bonded Turntrans-71.9-3.4-169.700000115.5F172 S176 N179F172-G174 VanDerWaalsContact CZ-CA 3.43Å; G174-S176 VanDerWaalsContact C-N 3.33Å; G174-N179 CarbonylContact O-C 3.44Å; G174-N179 WeakPolarHBondContact O-CB 3.34Å; G174-N179 PolarHBondContact O-ND2 2.96Å; G174-N179 VanDerWaalsContact O-ND2 3.15Å
175F86.8Confident88.3Confident4 Ų448.8 Ų48.82%0.01832%0.315CS..THydrogen-bonded Turntrans-85.5-3.5172.9-55.9-53000113.7F152 Y157 F172 T173 G180 Y194 G217 V219 I237 T254F152-F175 HydrophobicContact CD1-CD1 4.42Å; F152-F175 HydrophobicContact CD1-CE1 4.38Å; F152-F175 AromaticContact CE1-CD1 3.95Å; F152-F175 HydrophobicContact CE1-CD1 3.95Å; F152-F175 AromaticContact CE1-CE1 3.88Å; F152-F175 HydrophobicContact CE1-CE1 3.88Å; Y157-F175 HydrophobicContact CD1-CE1 4.23Å; Y157-F175 AromaticContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CE1 3.67Å; Y157-F175 HydrophobicContact CD2-CZ 4.36Å; Y157-F175 HydrophobicContact CE1-CD1 4.41Å; Y157-F175 HydrophobicContact CE1-CE1 4.25Å; Y157-F175 HydrophobicContact CE2-CD1 4.38Å; Y157-F175 AromaticContact CE2-CE1 3.74Å; Y157-F175 HydrophobicContact CE2-CE1 3.74Å; Y157-F175 AromaticContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CE1 3.93Å; Y157-F175 HydrophobicContact CG-CZ 4.5Å; F172-F175 AromaticContact CD1-CD2 3.9Å; F172-F175 HydrophobicContact CD1-CD2 3.9Å; F172-F175 AromaticContact CD1-CE2 3.59Å; F172-F175 HydrophobicContact CD1-CE2 3.59Å; F172-F175 AromaticContact CD1-CZ 3.98Å; F172-F175 HydrophobicContact CD1-CZ 3.98Å; F172-F175 AromaticContact CE1-CD1 3.91Å; F172-F175 HydrophobicContact CE1-CD1 3.91Å; F172-F175 AromaticContact CE1-CD2 3.66Å; F172-F175 HydrophobicContact CE1-CD2 3.66Å; F172-F175 AromaticContact CE1-CE1 3.69Å; F172-F175 HydrophobicContact CE1-CE1 3.69Å; F172-F175 AromaticContact CE1-CE2 3.43Å; F172-F175 HydrophobicContact CE1-CE2 3.43Å; F172-F175 VanDerWaalsContact CE1-CE2 3.43Å; F172-F175 AromaticContact CE1-CG 3.88Å; F172-F175 HydrophobicContact CE1-CG 3.88Å; F172-F175 AromaticContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CE1-CZ 3.42Å; F172-F175 VanDerWaalsContact CE1-CZ 3.42Å; F172-F175 HydrophobicContact CZ-CE1 4.35Å; F172-F175 HydrophobicContact CZ-CZ 4.34Å; T173-F175 PolarHBondContact O-N 3.2Å; T173-F175 VanDerWaalsContact O-N 3.1Å; F175-G180 WeakPolarHBondContact O-CA 3.44Å; F175-Y194 HydrophobicContact CB-CE1 4.29Å; F175-Y194 HydrophobicContact CB-CE2 4.14Å; F175-Y194 HydrophobicContact CG-CE1 4.34Å; F175-G217 VanDerWaalsContact CD2-O 3.27Å; F175-G217 WeakPolarHBondContact CD2-O 3.18Å; F175-V219 HydrophobicContact CE2-CG2 4.09Å; F175-I237 HydrophobicContact CE2-CD1 4.38Å; F175-I237 HydrophobicContact CE2-CG1 4.11Å; F175-I237 HydrophobicContact CE2-CG2 3.92Å; F175-I237 HydrophobicContact CZ-CB 4.15Å; F175-I237 HydrophobicContact CZ-CG1 3.82Å; F175-I237 HydrophobicContact CZ-CG2 3.89Å; F175-T254 HydrophobicContact CE1-CG2 4.43Å
176S78.4Confident88Confident73 Ų7351 Ų5151%0.5133%0.325SS..THydrogen-bonded Turntrans-76.3142.9177.958.40000112.4T173 G174T173-S176 PolarHBondContact O-N 2.83Å; T173-S176 PolarHBondContact O-OG 2.9Å; G174-S176 VanDerWaalsContact C-N 3.33Å
177G78.2Confident87.7Confident64 Ų6448.5 Ų48.566%0.6632%0.316SS*.G310 helixtrans66.4-148.218000000113.7N179G177-N179 PolarHBondContact O-N 3.37Å
178D77.3Confident87.6Confident138 Ų13848 Ų4874%0.73831%0.314SS*.G310 helixtrans-71.815.4-177.4-60.6-13000114K153K153-D178 WeakPolarHBondContact CD-O 3.42Å; K153-D178 PolarHBondContact NZ-O 3.48Å
179N84.9Confident87.6Confident57 Ų5746.7 Ų46.731%0.30530%0.295SS..G310 helixtrans-114.1-11.1-175.3-149.360.4000113.6H154 Y157 G174 G177H154-N179 PolarHBondContact CE1-OD1 3.15Å; H154-N179 VanDerWaalsContact CE1-OD1 3.27Å; Y157-N179 WeakPolarHBondContact CE1-O 3.48Å; Y157-N179 PolarHBondContact OH-O 3.15Å; G174-N179 CarbonylContact O-C 3.44Å; G174-N179 WeakPolarHBondContact O-CB 3.34Å; G174-N179 PolarHBondContact O-ND2 2.96Å; G174-N179 VanDerWaalsContact O-ND2 3.15Å; G177-N179 PolarHBondContact O-N 3.37Å
180G88.1Confident87.4Confident0 Ų044.9 Ų44.90%029%0.287CS..SBendtrans-83.5-153.7172.600000113.4K153 F175K153-G180 PolarHBondContact N-O 3.35Å; F175-G180 WeakPolarHBondContact O-CA 3.44Å
181A91.4Very high87.3Confident7 Ų746.1 Ų46.16%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-76.1145163.300000110.2P150 T151 F152 I192 Y194 A239P150-A181 HydrophobicContact CB-CB 4.34Å; T151-A181 CarbonylContact O-C 3.58Å; T151-A181 WeakPolarHBondContact O-CA 3.41Å; F152-A181 HydrophobicContact CD1-CB 3.82Å; F152-A181 HydrophobicContact CD2-CB 4.4Å; F152-A181 HydrophobicContact CE1-CB 3.89Å; F152-A181 HydrophobicContact CE2-CB 4.45Å; F152-A181 HydrophobicContact CG-CB 4.1Å; F152-A181 HydrophobicContact CZ-CB 4.21Å; A181-I192 HydrophobicContact CB-CD1 3.84Å; A181-I192 HydrophobicContact CB-CG2 4.29Å; A181-I192 WeakPolarHBondContact O-CD1 3.47Å; A181-Y194 HydrophobicContact CB-CE1 3.98Å; A181-Y194 PolarHBondContact N-OH 3.27Å; A181-Y194 PolarHBondContact O-OH 3.03Å; A181-A239 HydrophobicContact CB-CB 3.63Å
182T90.5Very high87.3Confident65 Ų6545.8 Ų45.840%0.39929%0.287SS..EExtended strand (participates in β ladder)trans-128.8141.1172.852.70000109.1T151T151-T182 PolarHBondContact N-O 2.8Å; T151-T182 PolarHBondContact O-N 2.86Å; T151-T182 PolarHBondContact OG1-O 3.34Å
183D91.9Very high87.3Confident21 Ų2146.1 Ų46.111%0.11229%0.289CS..  trans-125.7136175.4-161.7-29.3000107.2P150 D185 I192P150-D183 HydrophobicContact CB-CB 4.4Å; P150-D183 WeakPolarHBondContact CD-OD2 3.34Å; P150-D183 HydrophobicContact CG-CB 4.38Å; P150-D183 WeakPolarHBondContact CG-OD2 3.4Å; P150-D183 VanDerWaalsContact N-OD2 3.1Å; D183-D185 PolarHBondContact OD1-N 3.07Å; D183-I192 HydrophobicContact CB-CD1 4.15Å; D183-I192 HydrophobicContact CB-CG1 4.31Å
184I89.8Confident87.5Confident84 Ų8443 Ų4343%0.43127%0.269SS..  trans-86.8-17.4-172.662.3176000112.2D111 N148D111-I184 HydrophobicContact CB-CD1 4.06Å; D111-I184 HydrophobicContact CB-CG1 4.27Å; N148-I184 HydrophobicContact CB-CD1 4.3Å; N148-I184 HydrophobicContact CB-CG1 3.79Å; N148-I184 WeakPolarHBondContact ND2-CG1 3.42Å
185D90.8Very high87.9Confident6 Ų643.8 Ų43.83%0.03227%0.27CS..SBendtrans-58.4151.6176.3-65.4-5.7000110.9N146 D147 N148 D183 N189 G190N146-D185 VanDerWaalsContact CA-OD2 3.26Å; N146-D185 WeakPolarHBondContact CA-OD2 3.1Å; N146-D185 PolarHBondContact OD1-OD2 3.2Å; D147-D185 PolarHBondContact N-OD2 3.5Å; N148-D185 WeakPolarHBondContact CB-OD1 3.43Å; N148-D185 PolarHBondContact N-OD1 3.43Å; N148-D185 PolarHBondContact N-OD2 2.93Å; N148-D185 PolarHBondContact ND2-OD1 3.31Å; D183-D185 PolarHBondContact OD1-N 3.07Å; D185-N189 HydrophobicContact CB-CB 3.63Å; D185-G190 WeakPolarHBondContact O-CA 3.46Å; D185-G190 PolarHBondContact O-N 2.77Å
186D85.4Confident88.2Confident73 Ų7345 Ų4539%0.3928%0.276SS..SBendtrans-95.9132.9-171-137.26.9000112.1R110 D144R110-D186 IonicContact CZ-OD2 3.39Å; R110-D186 VanDerWaalsContact CZ-OD2 3.26Å; R110-D186 IonicContact NE-OD2 2.79Å; R110-D186 PolarHBondContact NE-OD2 2.78Å; R110-D186 IonicContact NH2-OD2 3.26Å; R110-D186 PolarHBondContact NH2-OD2 2.92Å; D144-D186 HydrophobicContact CB-CB 4.25Å; D144-D186 VanDerWaalsContact CG-N 3.29Å; D144-D186 VanDerWaalsContact OD1-CB 3.29Å; D144-D186 WeakPolarHBondContact OD1-CB 3.25Å; D144-D186 PolarHBondContact OD1-N 2.92Å; D144-D186 PolarHBondContact OD2-N 2.99Å
187G86.2Confident88.9Confident37 Ų3745.1 Ų45.138%0.38127%0.269SS..THydrogen-bonded Turntrans80.3-138.9177.100000113.8N189 G190 Q191G187-N189 PolarHBondContact O-N 3.09Å; G187-G190 PolarHBondContact O-N 3.35Å; G187-G190 VanDerWaalsContact O-N 3.16Å; G187-Q191 WeakPolarHBondContact O-CG 3.47Å; G187-Q191 PolarHBondContact O-N 3.28Å
188P87.3Confident89.6Confident62 Ų6247.8 Ų47.840%0.40326%0.26SS..THydrogen-bonded Turntrans-61.7-27.1-177.8-23.234.1000114.4G190 Q191 R242P188-G190 VanDerWaalsContact C-N 3.35Å; P188-Q191 PolarHBondContact O-N 3.47Å; P188-R242 WeakPolarHBondContact CB-O 3.11Å; P188-R242 CarbonylContact O-C 3.56Å; P188-R242 VanDerWaalsContact O-CA 3.27Å; P188-R242 WeakPolarHBondContact O-CA 3.45Å; P188-R242 VanDerWaalsContact O-CB 3.28Å; P188-R242 WeakPolarHBondContact O-CB 3.46Å; P188-R242 PolarHBondContact O-N 2.87Å; P188-R242 VanDerWaalsContact O-N 3.13Å
189N89.1Confident90.3Very high25 Ų2541.8 Ų41.813%0.13423%0.228CC..THydrogen-bonded Turntrans-66.6-38.2175.3-65.6-9.7000110.5D144 N146 D185 G187 Q191 D241 A243D144-N189 VanDerWaalsContact OD2-CB 3.29Å; D144-N189 WeakPolarHBondContact OD2-CB 3.15Å; D144-N189 PolarHBondContact OD2-ND2 2.61Å; N146-N189 HydrophobicContact CB-CB 4.16Å; N146-N189 PolarHBondContact N-ND2 3.06Å; N146-N189 WeakPolarHBondContact OD1-CA 3.39Å; N146-N189 WeakPolarHBondContact OD1-CB 3.45Å; D185-N189 HydrophobicContact CB-CB 3.63Å; G187-N189 PolarHBondContact O-N 3.09Å; N189-Q191 PolarHBondContact O-N 3.15Å; N189-D241 WeakPolarHBondContact O-CB 3.45Å; N189-A243 WeakPolarHBondContact OD1-CA 3.33Å
190G88.9Confident90.5Very high17 Ų1743.4 Ų43.418%0.17524%0.241CC..THydrogen-bonded Turntrans-79.2-9.9171.800000116.6D185 G187 P188D185-G190 WeakPolarHBondContact O-CA 3.46Å; D185-G190 PolarHBondContact O-N 2.77Å; G187-G190 PolarHBondContact O-N 3.35Å; G187-G190 VanDerWaalsContact O-N 3.16Å; P188-G190 VanDerWaalsContact C-N 3.35Å
191Q90.4Very high90.6Very high90 Ų9051.7 Ų51.742%0.42128%0.28SS..  trans-84.9128.8-174.9-79.5178.115.800111.4G187 P188 N189 D241 R242G187-Q191 WeakPolarHBondContact O-CG 3.47Å; G187-Q191 PolarHBondContact O-N 3.28Å; P188-Q191 PolarHBondContact O-N 3.47Å; N189-Q191 PolarHBondContact O-N 3.15Å; Q191-D241 CarbonylContact O-C 3.55Å; Q191-D241 WeakPolarHBondContact O-CA 3.42Å; Q191-R242 HydrophobicContact CB-CB 4.32Å; Q191-R242 HydrophobicContact CB-CG 4.43Å; Q191-R242 VanDerWaalsContact O-CG 3.27Å; Q191-R242 WeakPolarHBondContact O-CG 3.14Å; Q191-R242 PolarHBondContact O-N 3.07Å
192I91.6Very high90.5Very high21 Ų2151.5 Ų51.511%0.10828%0.278CS..EExtended strand (participates in β ladder)trans-104.5137.6-171.4-62.8163.3000111.9P150 A181 D183 Y194 A239 N240P150-I192 HydrophobicContact CB-CD1 4.14Å; P150-I192 HydrophobicContact CB-CG1 4.2Å; P150-I192 HydrophobicContact CG-CG1 4.35Å; A181-I192 HydrophobicContact CB-CD1 3.84Å; A181-I192 HydrophobicContact CB-CG2 4.29Å; A181-I192 WeakPolarHBondContact O-CD1 3.47Å; D183-I192 HydrophobicContact CB-CD1 4.15Å; D183-I192 HydrophobicContact CB-CG1 4.31Å; I192-Y194 HydrophobicContact CG2-CD1 4.37Å; I192-Y194 HydrophobicContact CG2-CD2 4.42Å; I192-Y194 HydrophobicContact CG2-CE1 3.93Å; I192-Y194 HydrophobicContact CG2-CE2 3.99Å; I192-A239 HydrophobicContact CG2-CB 3.79Å; I192-N240 CarbonylContact C-O 3.58Å; I192-N240 WeakPolarHBondContact CA-O 3.37Å
193E92Very high90.5Very high30 Ų3051.2 Ų51.214%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-119.5133.4167.166.1-175.8-160.600110.8M214 N240 R242 R249E193-M214 HydrophobicContact CB-CB 4.14Å; E193-N240 HydrophobicContact CG-CB 3.86Å; E193-N240 PolarHBondContact N-O 3.35Å; E193-N240 PolarHBondContact O-N 3.02Å; E193-R242 HydrophobicContact CB-CG 4.42Å; E193-R242 HydrophobicContact CG-CG 4.2Å; E193-R242 IonicContact OE2-NE 3.09Å; E193-R249 IonicContact OE1-CZ 3.86Å; E193-R249 IonicContact OE1-NH1 2.67Å; E193-R249 PolarHBondContact OE1-NH1 3.16Å
194Y94.1Very high90.3Very high10 Ų1053.1 Ų53.14%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-101.8135.8-179.8-59.4-80.7000111.1F152 F175 A181 I192 M214 G217 I237 Q238 A239F152-Y194 HydrophobicContact CE1-CD1 4.21Å; F152-Y194 AromaticContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CE1-CE1 3.64Å; F152-Y194 HydrophobicContact CZ-CD1 4.15Å; F152-Y194 AromaticContact CZ-CE1 3.92Å; F152-Y194 HydrophobicContact CZ-CE1 3.92Å; F175-Y194 HydrophobicContact CB-CE1 4.29Å; F175-Y194 HydrophobicContact CB-CE2 4.14Å; F175-Y194 HydrophobicContact CG-CE1 4.34Å; A181-Y194 HydrophobicContact CB-CE1 3.98Å; A181-Y194 PolarHBondContact N-OH 3.27Å; A181-Y194 PolarHBondContact O-OH 3.03Å; I192-Y194 HydrophobicContact CG2-CD1 4.37Å; I192-Y194 HydrophobicContact CG2-CD2 4.42Å; I192-Y194 HydrophobicContact CG2-CE1 3.93Å; I192-Y194 HydrophobicContact CG2-CE2 3.99Å; Y194-M214 WeakPolarHBondContact CD2-O 3.38Å; Y194-M214 PolarHBondContact N-O 2.91Å; Y194-M214 WeakPolarHBondContact O-CA 3.34Å; Y194-M214 WeakPolarHBondContact O-CB 3.06Å; Y194-G217 VanDerWaalsContact CD2-CA 3.5Å; Y194-I237 HydrophobicContact CD1-CG2 4.09Å; Y194-Q238 WeakPolarHBondContact CA-O 3.43Å; Y194-A239 HydrophobicContact CD1-CB 3.95Å; Y194-A239 HydrophobicContact CE1-CB 3.84Å
195V93.3Very high90.3Very high35 Ų3549.1 Ų49.121%0.21227%0.269CS..EExtended strand (participates in β ladder)trans-137.3153.1172.8-640000110.3M214 Q238V195-M214 HydrophobicContact CG1-CE 4.18Å; V195-M214 HydrophobicContact CG1-CG 4.25Å; V195-M214 HydrophobicContact CG1-SD 4.15Å; V195-Q238 HydrophobicContact CG2-CB 3.94Å; V195-Q238 HydrophobicContact CG2-CG 4.36Å; V195-Q238 PolarHBondContact N-O 2.99Å; V195-Q238 PolarHBondContact O-N 3.13Å
196I93.4Very high90.2Very high29 Ų2951.5 Ų51.515%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-82.6122.5171.3-63.4177.7000107.9F209 I211 V235 I237I196-F209 HydrophobicContact CD1-CB 3.87Å; I196-F209 WeakPolarHBondContact CD1-O 3.39Å; I196-I211 HydrophobicContact CD1-CG1 4.12Å; I196-I211 HydrophobicContact CG1-CD1 3.75Å; I196-I211 HydrophobicContact CG1-CG1 3.84Å; I196-V235 HydrophobicContact CD1-CG1 3.98Å; I196-V235 HydrophobicContact CG1-CG1 4.03Å; I196-V235 HydrophobicContact CG2-CG1 3.77Å; I196-I237 HydrophobicContact CG1-CD1 4.07Å
197Q92.9Very high90.3Very high76 Ų7652.6 Ų52.636%0.35529%0.288SS..EExtended strand (participates in β ladder)trans-87.9137.9172-176.2179.3-1100109.3N199 I236 Q238Q197-N199 PolarHBondContact O-N 2.82Å; Q197-I236 HydrophobicContact CB-CB 4.17Å; Q197-I236 HydrophobicContact CB-CG2 3.88Å; Q197-I236 HydrophobicContact CG-CG2 4.47Å; Q197-I236 PolarHBondContact N-O 2.8Å; Q197-Q238 HydrophobicContact CB-CB 4.28Å
198Y92.8Very high90.7Very high120 Ų12051.1 Ų51.147%0.47127%0.271SS..PPolyproline II helixtrans-57.9123.2173.8178-97000110.6P200 P203 N206Y198-P200 HydrophobicContact CD1-CG 4.32Å; Y198-P200 HydrophobicContact CE1-CB 4.32Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 WeakPolarHBondContact O-CD 3.24Å; Y198-P203 HydrophobicContact CE2-CB 4.11Å; Y198-P203 WeakPolarHBondContact OH-CB 3.5Å; Y198-N206 HydrophobicContact CD2-CB 4.06Å
199N92.6Very high91Very high13 Ų1348.3 Ų48.37%0.0725%0.253CS..  trans-98.1112.3175.9-174.4-0.5000110.2Q197 E201 D202 Y234 I236Q197-N199 PolarHBondContact O-N 2.82Å; N199-E201 VanDerWaalsContact C-N 3.25Å; N199-E201 PolarHBondContact O-N 2.83Å; N199-E201 PolarHBondContact OD1-N 3.16Å; N199-E201 VanDerWaalsContact OD1-N 3.1Å; N199-D202 HydrophobicContact CB-CB 4.44Å; N199-D202 CarbonylContact O-C 3.57Å; N199-D202 PolarHBondContact O-N 3.05Å; N199-D202 VanDerWaalsContact O-N 3.12Å; N199-Y234 PolarHBondContact ND2-O 2.92Å; N199-I236 HydrophobicContact CB-CD1 3.71Å; N199-I236 HydrophobicContact CB-CG1 3.95Å
200P89.3Confident91.3Very high90 Ų9051.1 Ų51.158%0.58427%0.265SS*.THydrogen-bonded Turntrans-62.2-30.5177.8-21.132.9000113.9Y198 D202Y198-P200 HydrophobicContact CD1-CG 4.32Å; Y198-P200 HydrophobicContact CE1-CB 4.32Å; Y198-P200 HydrophobicContact CE1-CG 4.2Å; Y198-P200 WeakPolarHBondContact O-CD 3.24Å; P200-D202 VanDerWaalsContact C-N 3.3Å
201E88.7Confident91.4Very high175 Ų17551 Ų5182%0.81826%0.261SS*.THydrogen-bonded Turntrans-77.4-19.4178.2-60.6-62.3146.300112N199N199-E201 VanDerWaalsContact C-N 3.25Å; N199-E201 PolarHBondContact O-N 2.83Å; N199-E201 PolarHBondContact OD1-N 3.16Å; N199-E201 VanDerWaalsContact OD1-N 3.1Å
202D90.8Very high91.4Very high2 Ų250.2 Ų50.21%0.01126%0.263CS..  trans-140.576174.9-168.3-17.8000111.6N199 P200 T204 S205 K230 Y233 Y234N199-D202 HydrophobicContact CB-CB 4.44Å; N199-D202 CarbonylContact O-C 3.57Å; N199-D202 PolarHBondContact O-N 3.05Å; N199-D202 VanDerWaalsContact O-N 3.12Å; P200-D202 VanDerWaalsContact C-N 3.3Å; D202-T204 PolarHBondContact O-N 3.22Å; D202-T204 PolarHBondContact OD1-N 3.49Å; D202-T204 PolarHBondContact OD1-OG1 3.35Å; D202-S205 WeakPolarHBondContact O-CB 3.3Å; D202-S205 PolarHBondContact O-N 2.78Å; D202-S205 PolarHBondContact O-OG 2.9Å; D202-S205 PolarHBondContact OD1-N 3.29Å; D202-S205 VanDerWaalsContact OD1-N 3.16Å; D202-K230 IonicContact OD1-NZ 3.69Å; D202-K230 PolarHBondContact OD1-NZ 2.89Å; D202-K230 IonicContact OD2-NZ 2.77Å; D202-K230 PolarHBondContact OD2-NZ 2.83Å; D202-Y233 WeakPolarHBondContact OD2-CA 3.46Å; D202-Y234 PolarHBondContact OD2-N 3.09Å
203P88.7Confident91.3Very high59 Ų5954.5 Ų54.538%0.38329%0.285SS..Hα-helixtrans-60.3-32.2-178-23.834000112.8Y198 S205 N206Y198-P203 HydrophobicContact CE2-CB 4.11Å; Y198-P203 WeakPolarHBondContact OH-CB 3.5Å; P203-S205 VanDerWaalsContact C-N 3.26Å; P203-S205 PolarHBondContact O-N 2.83Å; P203-N206 PolarHBondContact O-N 2.84Å
204T89.2Confident91.2Very high61 Ų6157.7 Ų57.737%0.37430%0.302SS..Hα-helixtrans-66.9-26.1-177.350.50000113D202 N206 D207 T208 K230D202-T204 PolarHBondContact O-N 3.22Å; D202-T204 PolarHBondContact OD1-N 3.49Å; D202-T204 PolarHBondContact OD1-OG1 3.35Å; T204-N206 VanDerWaalsContact C-N 3.28Å; T204-N206 PolarHBondContact O-N 2.89Å; T204-D207 PolarHBondContact O-N 2.84Å; T204-T208 WeakPolarHBondContact O-CB 3.36Å; T204-T208 PolarHBondContact O-N 3.13Å; T204-T208 PolarHBondContact O-OG1 3.02Å; T204-K230 PolarHBondContact OG1-NZ 3.43Å
205S89.7Confident91Very high0 Ų062.8 Ų62.80%033%0.329CS..Hα-helixtrans-58.1-39.9178.264.90000112.4D202 P203 D207 T208 F209D202-S205 WeakPolarHBondContact O-CB 3.3Å; D202-S205 PolarHBondContact O-N 2.78Å; D202-S205 PolarHBondContact O-OG 2.9Å; D202-S205 PolarHBondContact OD1-N 3.29Å; D202-S205 VanDerWaalsContact OD1-N 3.16Å; P203-S205 VanDerWaalsContact C-N 3.26Å; P203-S205 PolarHBondContact O-N 2.83Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 2.9Å; S205-T208 PolarHBondContact O-N 3.15Å; S205-F209 WeakPolarHBondContact O-CD2 3.14Å; S205-F209 PolarHBondContact O-N 2.83Å
206N87.8Confident90.7Very high57 Ų5763.6 Ų63.631%0.30533%0.334SS..Hα-helixtrans-66.5-29.9-179.2-174.354000113.2Y198 P203 T204Y198-N206 HydrophobicContact CD2-CB 4.06Å; P203-N206 PolarHBondContact O-N 2.84Å; T204-N206 VanDerWaalsContact C-N 3.28Å; T204-N206 PolarHBondContact O-N 2.89Å
207D88.5Confident90.4Very high95 Ų9562.2 Ų62.251%0.50833%0.327SS..Hα-helixtrans-88.1-22.4176.8-67-27.6000112.4T204 S205T204-D207 PolarHBondContact O-N 2.84Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 2.9Å
208T93.3Very high90.4Very high6 Ų660.6 Ų60.64%0.03732%0.321CS..Hα-helixtrans-90.3-32.6-172.7-53.30000112.4T204 S205 L221 R222 K223 L225 Y233T204-T208 WeakPolarHBondContact O-CB 3.36Å; T204-T208 PolarHBondContact O-N 3.13Å; T204-T208 PolarHBondContact O-OG1 3.02Å; S205-T208 PolarHBondContact O-N 3.15Å; T208-L221 HydrophobicContact CG2-CD1 4.02Å; T208-R222 WeakPolarHBondContact O-CA 3.41Å; T208-R222 WeakPolarHBondContact O-CB 3.42Å; T208-R222 PolarHBondContact O-N 2.94Å; T208-K223 PolarHBondContact O-N 2.9Å; T208-L225 HydrophobicContact CG2-CD2 3.61Å; T208-Y233 HydrophobicContact CG2-CE1 4.16Å
209F94.9Very high90.4Very high3 Ų354.9 Ų54.91%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-122.4152.4-177.6-53.8-73.6000112I171 I196 S205 V219 V220 L221 L225 Y233 V235 V258I171-F209 HydrophobicContact CD1-CD1 3.47Å; I171-F209 VanDerWaalsContact CD1-CD1 3.47Å; I171-F209 HydrophobicContact CD1-CE1 3.4Å; I171-F209 HydrophobicContact CD1-CZ 4.4Å; I171-F209 HydrophobicContact CG1-CD1 4.39Å; I196-F209 HydrophobicContact CD1-CB 3.87Å; I196-F209 WeakPolarHBondContact CD1-O 3.39Å; S205-F209 WeakPolarHBondContact O-CD2 3.14Å; S205-F209 PolarHBondContact O-N 2.83Å; F209-V219 HydrophobicContact CB-CG1 3.92Å; F209-V219 HydrophobicContact CD1-CG1 4.37Å; F209-V219 HydrophobicContact CG-CG1 4.39Å; F209-V220 WeakPolarHBondContact CA-O 3.41Å; F209-L221 HydrophobicContact CD1-CD1 4.09Å; F209-L221 HydrophobicContact CE1-CD1 3.7Å; F209-L225 HydrophobicContact CZ-CD2 4.44Å; F209-Y233 AromaticContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD2 4.08Å; F209-Y233 AromaticContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CZ-CD2 4.04Å; F209-Y233 HydrophobicContact CZ-CG 4.03Å; F209-V235 HydrophobicContact CD2-CG2 3.42Å; F209-V235 VanDerWaalsContact CD2-CG2 3.42Å; F209-V235 HydrophobicContact CE2-CG2 3.84Å; F209-V235 HydrophobicContact CG-CG2 4.11Å; F209-V258 HydrophobicContact CE1-CG1 4.2Å; F209-V258 HydrophobicContact CZ-CB 4.12Å; F209-V258 HydrophobicContact CZ-CG1 3.92Å; F209-V258 HydrophobicContact CZ-CG2 4.32Å
210E93.7Very high90.5Very high85 Ų8555.3 Ų55.340%0.39730%0.301SS..EExtended strand (participates in β ladder)trans-142.7150.4178.8-174.9173.2171.800110.8P212 V220 R222E210-P212 WeakPolarHBondContact O-CD 3.18Å; E210-V220 PolarHBondContact N-O 3.41Å; E210-V220 PolarHBondContact O-N 2.9Å; E210-R222 HydrophobicContact CB-CB 4.38Å; E210-R222 WeakPolarHBondContact OE2-CD 2.89Å; E210-R222 IonicContact OE2-NE 3.84Å; E210-R222 PolarHBondContact OE2-NE 3.44Å
211I92.8Very high90.7Very high15 Ų1551 Ų518%0.07727%0.273CS..  trans-111.393.3167.1-62170.5000107.6I196 L213 V219 I237I196-I211 HydrophobicContact CD1-CG1 4.12Å; I196-I211 HydrophobicContact CG1-CD1 3.75Å; I196-I211 HydrophobicContact CG1-CG1 3.84Å; I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 3.24Å; I211-V219 HydrophobicContact CD1-CG2 4.35Å; I211-V219 HydrophobicContact CG1-CG2 4.06Å; I211-I237 HydrophobicContact CD1-CD1 4.02Å; I211-I237 HydrophobicContact CD1-CG2 4.44Å
212P89.4Confident90.9Very high73 Ų7349.3 Ų49.347%0.47426%0.259SS..SBendtrans-69.7-28.1-176.424.8-32.6000112.8E210 V220E210-P212 WeakPolarHBondContact O-CD 3.18Å; P212-V220 HydrophobicContact CG-CB 4.35Å; P212-V220 HydrophobicContact CG-CG2 3.71Å
213L90.1Very high90.9Very high110 Ų11055.4 Ų55.458%0.57629%0.286SS*.  trans-120.592.5-179.9-68.2176.2000110.7I211 L215 T216 G217I211-L213 VanDerWaalsContact C-N 3.3Å; I211-L213 PolarHBondContact O-N 3.24Å; L213-L215 PolarHBondContact O-N 3.19Å; L213-L215 VanDerWaalsContact O-N 3.1Å; L213-T216 HydrophobicContact CB-CG2 4.34Å; L213-T216 WeakPolarHBondContact CB-OG1 3.26Å; L213-T216 PolarHBondContact O-N 2.86Å; L213-T216 PolarHBondContact O-OG1 2.79Å; L213-G217 PolarHBondContact O-N 2.82Å
214M90.1Very high91Very high98 Ų9862.5 Ų62.548%0.48331%0.305SS..THydrogen-bonded Turntrans-55.2-31.7-173.7-59174.8178.900113.9E193 Y194 V195 T216E193-M214 HydrophobicContact CB-CB 4.14Å; Y194-M214 WeakPolarHBondContact CD2-O 3.38Å; Y194-M214 PolarHBondContact N-O 2.91Å; Y194-M214 WeakPolarHBondContact O-CA 3.34Å; Y194-M214 WeakPolarHBondContact O-CB 3.06Å; V195-M214 HydrophobicContact CG1-CE 4.18Å; V195-M214 HydrophobicContact CG1-CG 4.25Å; V195-M214 HydrophobicContact CG1-SD 4.15Å; M214-T216 VanDerWaalsContact C-N 3.33Å; M214-T216 PolarHBondContact O-N 2.79Å
215L88.2Confident91.2Very high117 Ų11760.2 Ų60.261%0.61329%0.29SS*.THydrogen-bonded Turntrans-74.1-21.9179.5-66.7171.7000113.9L213L213-L215 PolarHBondContact O-N 3.19Å; L213-L215 VanDerWaalsContact O-N 3.1Å
216T87.5Confident91.2Very high51 Ų5162.3 Ų62.331%0.31330%0.302SS..THydrogen-bonded Turntrans-96.3-26.8-179.163.30000112.5L213 M214 N218L213-T216 HydrophobicContact CB-CG2 4.34Å; L213-T216 WeakPolarHBondContact CB-OG1 3.26Å; L213-T216 PolarHBondContact O-N 2.86Å; L213-T216 PolarHBondContact O-OG1 2.79Å; M214-T216 VanDerWaalsContact C-N 3.33Å; M214-T216 PolarHBondContact O-N 2.79Å; T216-N218 PolarHBondContact O-N 2.89Å; T216-N218 PolarHBondContact OG1-N 2.82Å
217G88.6Confident91.4Very high0 Ų061 Ų610%029%0.292CS..THydrogen-bonded Turntrans70.56.4-173.700000114.6F175 Y194 L213 V219F175-G217 VanDerWaalsContact CD2-O 3.27Å; F175-G217 WeakPolarHBondContact CD2-O 3.18Å; Y194-G217 VanDerWaalsContact CD2-CA 3.5Å; L213-G217 PolarHBondContact O-N 2.82Å; G217-V219 PolarHBondContact O-N 2.85Å; G217-V219 VanDerWaalsContact O-N 3.13Å
218N91.8Very high91.3Very high43 Ų4357.2 Ų57.223%0.2327%0.272CS..  trans-60.8119.3-178.5-70.4-9000110.9T170 F172 T216T170-N218 HydrophobicContact CG2-CB 3.91Å; F172-N218 WeakPolarHBondContact O-CA 3.46Å; T216-N218 PolarHBondContact O-N 2.89Å; T216-N218 PolarHBondContact OG1-N 2.82Å
219V93.1Very high91Very high0 Ų062 Ų620%030%0.297CS..EExtended strand (participates in β ladder)trans-89.4126.9179.7-173.10000108.8T170 I171 F172 F175 F209 I211 G217 I237 L256T170-V219 CarbonylContact C-O 3.58Å; T170-V219 WeakPolarHBondContact CA-O 3.41Å; I171-V219 HydrophobicContact CD1-CG1 4.03Å; I171-V219 HydrophobicContact CG1-CB 4.17Å; I171-V219 HydrophobicContact CG1-CG1 4.03Å; I171-V219 VanDerWaalsContact CG1-O 3.3Å; I171-V219 WeakPolarHBondContact CG1-O 3.18Å; I171-V219 PolarHBondContact N-O 2.91Å; F172-V219 HydrophobicContact CB-CB 4.13Å; F172-V219 HydrophobicContact CB-CG2 4.34Å; F172-V219 HydrophobicContact CD1-CG2 4.34Å; F172-V219 PolarHBondContact N-O 3.3Å; F172-V219 PolarHBondContact O-N 3.06Å; F175-V219 HydrophobicContact CE2-CG2 4.09Å; F209-V219 HydrophobicContact CB-CG1 3.92Å; F209-V219 HydrophobicContact CD1-CG1 4.37Å; F209-V219 HydrophobicContact CG-CG1 4.39Å; I211-V219 HydrophobicContact CD1-CG2 4.35Å; I211-V219 HydrophobicContact CG1-CG2 4.06Å; G217-V219 PolarHBondContact O-N 2.85Å; G217-V219 VanDerWaalsContact O-N 3.13Å; V219-I237 HydrophobicContact CG2-CD1 4.2Å; V219-L256 HydrophobicContact CB-CD2 4.32Å; V219-L256 HydrophobicContact CG1-CD2 4.36Å; V219-L256 HydrophobicContact CG2-CD2 3.82Å
220V93.6Very high90.7Very high21 Ų2164.8 Ų64.813%0.12731%0.31CS..EExtended strand (participates in β ladder)trans-118.4142.2-174.6-179.50000109.8G168 T169 F209 E210 P212 R222G168-V220 VanDerWaalsContact C-CG1 3.48Å; G168-V220 WeakPolarHBondContact O-CG1 3.48Å; T169-V220 WeakPolarHBondContact O-CA 3.08Å; F209-V220 WeakPolarHBondContact CA-O 3.41Å; E210-V220 PolarHBondContact N-O 3.41Å; E210-V220 PolarHBondContact O-N 2.9Å; P212-V220 HydrophobicContact CG-CB 4.35Å; P212-V220 HydrophobicContact CG-CG2 3.71Å; V220-R222 PolarHBondContact O-N 2.81Å
221L94.9Very high90.5Very high1 Ų163.9 Ų63.91%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-74.6121.4174.8-173.167.1000110.6T165 G168 T169 I171 T208 F209 K223 L225T165-L221 HydrophobicContact CG2-CD2 4.25Å; T165-L221 WeakPolarHBondContact O-CD2 3.31Å; G168-L221 PolarHBondContact N-O 2.94Å; T169-L221 PolarHBondContact O-N 3.01Å; I171-L221 HydrophobicContact CG2-CB 4.12Å; T208-L221 HydrophobicContact CG2-CD1 4.02Å; F209-L221 HydrophobicContact CD1-CD1 4.09Å; F209-L221 HydrophobicContact CE1-CD1 3.7Å; L221-K223 WeakPolarHBondContact CD1-O 3.14Å; L221-K223 VanDerWaalsContact CG-O 3.23Å; L221-K223 WeakPolarHBondContact CG-O 3.38Å; L221-L225 HydrophobicContact CD1-CD1 4.03Å; L221-L225 HydrophobicContact CD1-CD2 3.83Å; L221-L225 HydrophobicContact CD1-CG 3.8Å; L221-L225 HydrophobicContact CD2-CD1 4.21Å; L221-L225 HydrophobicContact CD2-CG 4.18Å
222R92Very high90.6Very high138 Ų13868.2 Ų68.252%0.52133%0.325SS..  trans-100.2-28.2-177.7-168.9-178-174.2-159.6-1.1113.3V167 T208 E210 V220V167-R222 WeakPolarHBondContact CG1-O 3.45Å; T208-R222 WeakPolarHBondContact O-CA 3.41Å; T208-R222 WeakPolarHBondContact O-CB 3.42Å; T208-R222 PolarHBondContact O-N 2.94Å; E210-R222 HydrophobicContact CB-CB 4.38Å; E210-R222 WeakPolarHBondContact OE2-CD 2.89Å; E210-R222 IonicContact OE2-NE 3.84Å; E210-R222 PolarHBondContact OE2-NE 3.44Å; V220-R222 PolarHBondContact O-N 2.81Å
223K91.7Very high90.8Very high131 Ų13165.6 Ų65.657%0.5731%0.306SS*.SBendtrans-128.8149.2-179.9-165.1178.2178.4-174.30110T208 L221T208-K223 PolarHBondContact O-N 2.9Å; L221-K223 WeakPolarHBondContact CD1-O 3.14Å; L221-K223 VanDerWaalsContact CG-O 3.23Å; L221-K223 WeakPolarHBondContact CG-O 3.38Å
224R91.3Very high91Very high208 Ų20865.3 Ų65.379%0.78530%0.298SS*.  trans-60.4142173.2-70.5-170.6177.3-165.2-2.6110.2V167V167-R224 HydrophobicContact CG2-CG 3.76Å
225L92.4Very high91.2Very high12 Ų1260.7 Ų60.76%0.06328%0.275CS..  trans-88.9154.9173.9-59172.3000108.6V161 E163 T208 F209 L221 Y233 V260V161-L225 HydrophobicContact CB-CD1 4.27Å; V161-L225 HydrophobicContact CG1-CD1 3.42Å; V161-L225 VanDerWaalsContact CG1-CD1 3.42Å; V161-L225 HydrophobicContact CG2-CD1 3.84Å; E163-L225 HydrophobicContact CB-CB 4.09Å; T208-L225 HydrophobicContact CG2-CD2 3.61Å; F209-L225 HydrophobicContact CZ-CD2 4.44Å; L221-L225 HydrophobicContact CD1-CD1 4.03Å; L221-L225 HydrophobicContact CD1-CD2 3.83Å; L221-L225 HydrophobicContact CD1-CG 3.8Å; L221-L225 HydrophobicContact CD2-CD1 4.21Å; L221-L225 HydrophobicContact CD2-CG 4.18Å; L225-Y233 HydrophobicContact CD2-CE2 3.8Å; L225-V260 HydrophobicContact CB-CG1 4.18Å; L225-V260 HydrophobicContact CD1-CG1 4.26Å; L225-V260 HydrophobicContact CD1-CG2 4.22Å; L225-V260 HydrophobicContact CD2-CG2 4.34Å
226N89.7Confident91.5Very high45 Ų4556.4 Ų56.424%0.24125%0.253CS..  trans-143.8118.1168.7170.5-89.6000106.7E163 E228 D229 K230E163-N226 WeakPolarHBondContact OE2-CA 3.3Å; N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact ND2-OE2 2.99Å; N226-E228 WeakPolarHBondContact OD1-CB 3.46Å; N226-E228 PolarHBondContact OD1-N 2.74Å; N226-E228 PolarHBondContact OD1-OE2 2.55Å; N226-D229 HydrophobicContact CB-CB 4.49Å; N226-D229 PolarHBondContact O-N 2.83Å; N226-D229 WeakPolarHBondContact OD1-CB 3.33Å; N226-D229 PolarHBondContact OD1-N 2.93Å; N226-K230 PolarHBondContact O-N 2.95Å
227Y91.2Very high91.8Very high28 Ų2854 Ų5411%0.1124%0.238CC..THydrogen-bonded Turntrans-66.8-35.8-174.4-176.4-93.4000111.7E163 D229 K230 T231 V260 D262 R316 N317E163-Y227 WeakPolarHBondContact OE1-CB 3.41Å; E163-Y227 WeakPolarHBondContact OE2-CB 3.37Å; E163-Y227 PolarHBondContact OE2-N 2.96Å; Y227-D229 PolarHBondContact O-N 3.17Å; Y227-K230 PolarHBondContact O-N 2.87Å; Y227-T231 HydrophobicContact CD1-CG2 4.2Å; Y227-T231 HydrophobicContact CD2-CG2 3.82Å; Y227-T231 HydrophobicContact CE1-CG2 3.93Å; Y227-T231 HydrophobicContact CE2-CG2 3.53Å; Y227-T231 HydrophobicContact CG-CG2 4.14Å; Y227-T231 WeakPolarHBondContact O-CG2 3.45Å; Y227-V260 HydrophobicContact CD2-CB 4.18Å; Y227-V260 HydrophobicContact CD2-CG1 4.13Å; Y227-V260 WeakPolarHBondContact CD2-O 3.13Å; Y227-V260 WeakPolarHBondContact CE2-O 3.33Å; Y227-D262 HydrophobicContact CD1-CB 3.6Å; Y227-D262 VanDerWaalsContact CD1-CG 3.41Å; Y227-D262 WeakPolarHBondContact CD1-OD2 3.35Å; Y227-D262 HydrophobicContact CD2-CB 3.81Å; Y227-D262 HydrophobicContact CE1-CB 3.77Å; Y227-D262 VanDerWaalsContact CE1-OD2 3.31Å; Y227-D262 WeakPolarHBondContact CE1-OD2 3.19Å; Y227-D262 HydrophobicContact CE2-CB 3.95Å; Y227-D262 HydrophobicContact CG-CB 3.64Å; Y227-R316 HydrophobicContact CD1-CB 4.39Å; Y227-R316 HydrophobicContact CE1-CB 4.01Å; Y227-N317 HydrophobicContact CE1-CB 4.12Å; Y227-N317 PolarHBondContact OH-ND2 3.01Å
228E87.7Confident92Very high16 Ų1656 Ų568%0.07525%0.247CC..THydrogen-bonded Turntrans-65.6-27.5-176.7-67.255.8-107.500112.1N226 L266 R316N226-E228 VanDerWaalsContact C-N 3.33Å; N226-E228 PolarHBondContact ND2-OE2 2.99Å; N226-E228 WeakPolarHBondContact OD1-CB 3.46Å; N226-E228 PolarHBondContact OD1-N 2.74Å; N226-E228 PolarHBondContact OD1-OE2 2.55Å; E228-L266 HydrophobicContact CG-CD1 3.96Å; E228-R316 PolarHBondContact O-NH1 3.16Å; E228-R316 PolarHBondContact O-NH2 2.92Å
229D86.4Confident92.1Very high107 Ų10754 Ų5457%0.57224%0.236SC*.THydrogen-bonded Turntrans-90.4-47.7178.8-77.3-11.7000112.5N226 Y227 R280N226-D229 HydrophobicContact CB-CB 4.49Å; N226-D229 PolarHBondContact O-N 2.83Å; N226-D229 WeakPolarHBondContact OD1-CB 3.33Å; N226-D229 PolarHBondContact OD1-N 2.93Å; Y227-D229 PolarHBondContact O-N 3.17Å; D229-R280 IonicContact OD1-CZ 3.84Å; D229-R280 VanDerWaalsContact OD1-CZ 3.27Å; D229-R280 IonicContact OD1-NH1 3.9Å; D229-R280 PolarHBondContact OD1-NH1 3.32Å; D229-R280 IonicContact OD1-NH2 2.62Å; D229-R280 PolarHBondContact OD1-NH2 3.39Å
230K88.3Confident92Very high62 Ų6254.6 Ų54.627%0.2724%0.24SC..  trans-154.2120.9-178.3-174.6163.3176.2165.40113.5D202 T204 N226 Y227 R232 Y233D202-K230 IonicContact OD1-NZ 3.69Å; D202-K230 PolarHBondContact OD1-NZ 2.89Å; D202-K230 IonicContact OD2-NZ 2.77Å; D202-K230 PolarHBondContact OD2-NZ 2.83Å; T204-K230 PolarHBondContact OG1-NZ 3.43Å; N226-K230 PolarHBondContact O-N 2.95Å; Y227-K230 PolarHBondContact O-N 2.87Å; K230-R232 WeakPolarHBondContact CE-O 3.06Å; K230-Y233 HydrophobicContact CD-CD1 4.24Å; K230-Y233 HydrophobicContact CD-CE1 3.82Å; K230-Y233 HydrophobicContact CG-CE1 4.38Å; K230-Y233 HydrophobicContact CG-CE2 4.23Å
231T90.5Very high92Very high65 Ų6553.6 Ų53.640%0.39923%0.234SC..SBendtrans-95.6-12.4-172.959.30000115.4Y227 V260Y227-T231 HydrophobicContact CD1-CG2 4.2Å; Y227-T231 HydrophobicContact CD2-CG2 3.82Å; Y227-T231 HydrophobicContact CE1-CG2 3.93Å; Y227-T231 HydrophobicContact CE2-CG2 3.53Å; Y227-T231 HydrophobicContact CG-CG2 4.14Å; Y227-T231 WeakPolarHBondContact O-CG2 3.45Å; T231-V260 PolarHBondContact O-N 2.99Å
232R93.4Very high91.8Very high107 Ų10757.8 Ų57.840%0.40425%0.249SC..EExtended strand (participates in β ladder)trans-147.8137.8-176178.1174.3-67.8177.3-4.7111.9K230 Y234 T257 V258 D259K230-R232 WeakPolarHBondContact CE-O 3.06Å; R232-Y234 WeakPolarHBondContact CD-OH 3.36Å; R232-Y234 HydrophobicContact CG-CE1 4.32Å; R232-Y234 HydrophobicContact CG-CE2 4.16Å; R232-T257 HydrophobicContact CG-CG2 4.03Å; R232-V258 WeakPolarHBondContact CA-O 3.22Å; R232-D259 VanDerWaalsContact CG-OD1 3.31Å; R232-D259 WeakPolarHBondContact CG-OD1 3.33Å; R232-D259 IonicContact CZ-OD1 3.38Å; R232-D259 IonicContact CZ-OD2 2.93Å; R232-D259 IonicContact NE-OD1 3.65Å; R232-D259 PolarHBondContact NE-OD1 3.06Å; R232-D259 IonicContact NE-OD2 3.56Å; R232-D259 IonicContact NH2-OD1 4Å; R232-D259 PolarHBondContact NH2-OD1 2.53Å; R232-D259 IonicContact NH2-OD2 2.83Å; R232-D259 PolarHBondContact NH2-OD2 2.69Å
233Y94.7Very high91.6Very high18 Ų1851.2 Ų51.27%0.07123%0.225CC..EExtended strand (participates in β ladder)trans-122.4142.5175.3-64.8-96.3000111.9D202 T208 F209 L225 K230 T257 V258 V260D202-Y233 WeakPolarHBondContact OD2-CA 3.46Å; T208-Y233 HydrophobicContact CG2-CE1 4.16Å; F209-Y233 AromaticContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD1 3.88Å; F209-Y233 HydrophobicContact CE2-CD2 4.08Å; F209-Y233 AromaticContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CE2-CG 3.58Å; F209-Y233 HydrophobicContact CZ-CD2 4.04Å; F209-Y233 HydrophobicContact CZ-CG 4.03Å; L225-Y233 HydrophobicContact CD2-CE2 3.8Å; K230-Y233 HydrophobicContact CD-CD1 4.24Å; K230-Y233 HydrophobicContact CD-CE1 3.82Å; K230-Y233 HydrophobicContact CG-CE1 4.38Å; K230-Y233 HydrophobicContact CG-CE2 4.23Å; Y233-T257 WeakPolarHBondContact O-CA 3.13Å; Y233-V258 PolarHBondContact N-O 2.91Å; Y233-V258 PolarHBondContact O-N 3.03Å; Y233-V260 HydrophobicContact CD2-CG2 4.01Å; Y233-V260 HydrophobicContact CE2-CG2 3.73Å
234Y94.3Very high91.1Very high104 Ų10454 Ų5441%0.40824%0.24SC..EExtended strand (participates in β ladder)trans-113.294.9175.6-59.9-77.8000110.3N199 D202 R232 T257N199-Y234 PolarHBondContact ND2-O 2.92Å; D202-Y234 PolarHBondContact OD2-N 3.09Å; R232-Y234 WeakPolarHBondContact CD-OH 3.36Å; R232-Y234 HydrophobicContact CG-CE1 4.32Å; R232-Y234 HydrophobicContact CG-CE2 4.16Å; Y234-T257 HydrophobicContact CD1-CG2 4.23Å; Y234-T257 HydrophobicContact CE1-CG2 4.02Å
235V93.8Very high90.7Very high0 Ų047.5 Ų47.50%022%0.22CC..EExtended strand (participates in β ladder)trans-90.4121.1-177.9-168.70000109.2I196 F209 I237 L256 V258I196-V235 HydrophobicContact CD1-CG1 3.98Å; I196-V235 HydrophobicContact CG1-CG1 4.03Å; I196-V235 HydrophobicContact CG2-CG1 3.77Å; F209-V235 HydrophobicContact CD2-CG2 3.42Å; F209-V235 VanDerWaalsContact CD2-CG2 3.42Å; F209-V235 HydrophobicContact CE2-CG2 3.84Å; F209-V235 HydrophobicContact CG-CG2 4.11Å; V235-I237 HydrophobicContact CB-CD1 4.48Å; V235-I237 HydrophobicContact CG1-CD1 3.73Å; V235-L256 HydrophobicContact CB-CB 4.3Å; V235-L256 PolarHBondContact N-O 2.9Å; V235-L256 PolarHBondContact O-N 3.48Å; V235-V258 HydrophobicContact CG2-CG2 4.24Å
236I93.9Very high90.1Very high28 Ų2853 Ų5314%0.14425%0.249CC..EExtended strand (participates in β ladder)trans-86.3118174.3-59.9175.2000108.2Q197 N199 T253 T255Q197-I236 HydrophobicContact CB-CB 4.17Å; Q197-I236 HydrophobicContact CB-CG2 3.88Å; Q197-I236 HydrophobicContact CG-CG2 4.47Å; Q197-I236 PolarHBondContact N-O 2.8Å; N199-I236 HydrophobicContact CB-CD1 3.71Å; N199-I236 HydrophobicContact CB-CG1 3.95Å; I236-T253 HydrophobicContact CG2-CG2 4.22Å; I236-T255 HydrophobicContact CG1-CG2 4.39Å
237I93.8Very high89.8Confident0 Ų058 Ų580%028%0.276CS..EExtended strand (participates in β ladder)trans-101.3122.5178.2-51.9-66.8000107.9F152 F175 Y194 I196 I211 V219 V235 T253 T254 L256F152-I237 HydrophobicContact CZ-CG2 4.15Å; F175-I237 HydrophobicContact CE2-CD1 4.38Å; F175-I237 HydrophobicContact CE2-CG1 4.11Å; F175-I237 HydrophobicContact CE2-CG2 3.92Å; F175-I237 HydrophobicContact CZ-CB 4.15Å; F175-I237 HydrophobicContact CZ-CG1 3.82Å; F175-I237 HydrophobicContact CZ-CG2 3.89Å; Y194-I237 HydrophobicContact CD1-CG2 4.09Å; I196-I237 HydrophobicContact CG1-CD1 4.07Å; I211-I237 HydrophobicContact CD1-CD1 4.02Å; I211-I237 HydrophobicContact CD1-CG2 4.44Å; V219-I237 HydrophobicContact CG2-CD1 4.2Å; V235-I237 HydrophobicContact CB-CD1 4.48Å; V235-I237 HydrophobicContact CG1-CD1 3.73Å; I237-T253 CarbonylContact O-C 3.56Å; I237-T253 VanDerWaalsContact O-CA 3.24Å; I237-T253 WeakPolarHBondContact O-CA 3.5Å; I237-T254 HydrophobicContact CB-CG2 4.02Å; I237-T254 PolarHBondContact N-O 3.16Å; I237-T254 PolarHBondContact O-N 3.05Å; I237-L256 HydrophobicContact CD1-CB 4.49Å; I237-L256 HydrophobicContact CG1-CB 3.95Å
238Q93.2Very high89.5Confident42 Ų4261.6 Ų61.620%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-105.5120.2177.7-177.2-177.8-16.300108.9Y194 V195 Q197 N240 T252 T253Y194-Q238 WeakPolarHBondContact CA-O 3.43Å; V195-Q238 HydrophobicContact CG2-CB 3.94Å; V195-Q238 HydrophobicContact CG2-CG 4.36Å; V195-Q238 PolarHBondContact N-O 2.99Å; V195-Q238 PolarHBondContact O-N 3.13Å; Q197-Q238 HydrophobicContact CB-CB 4.28Å; Q238-N240 VanDerWaalsContact CG-OD1 3.3Å; Q238-N240 WeakPolarHBondContact CG-OD1 3.5Å; Q238-N240 PolarHBondContact NE2-OD1 3.39Å; Q238-T252 WeakPolarHBondContact CA-O 3.19Å; Q238-T253 HydrophobicContact CB-CG2 4.01Å; Q238-T253 HydrophobicContact CG-CG2 4.01Å
239A93.5Very high89.6Confident0 Ų064.6 Ų64.60%030%0.304CS..EExtended strand (participates in β ladder)trans-94.7124.916900000108.8P150 F152 A181 I192 Y194 T251 T252P150-A239 HydrophobicContact CB-CB 4.29Å; F152-A239 HydrophobicContact CE1-CB 4.33Å; F152-A239 HydrophobicContact CE2-CB 3.68Å; F152-A239 HydrophobicContact CZ-CB 3.51Å; A181-A239 HydrophobicContact CB-CB 3.63Å; I192-A239 HydrophobicContact CG2-CB 3.79Å; Y194-A239 HydrophobicContact CD1-CB 3.95Å; Y194-A239 HydrophobicContact CE1-CB 3.84Å; A239-T251 CarbonylContact O-C 3.45Å; A239-T251 VanDerWaalsContact O-CA 3.27Å; A239-T251 WeakPolarHBondContact O-CA 3.47Å; A239-T252 PolarHBondContact N-O 3.1Å; A239-T252 PolarHBondContact O-N 2.75Å
240N92.4Very high89.8Confident14 Ų1463.9 Ų63.98%0.07529%0.293CS..EExtended strand (participates in β ladder)trans-115.8140.9176.2-49.4-54.6000109.2I192 E193 Q238 T251I192-N240 CarbonylContact C-O 3.58Å; I192-N240 WeakPolarHBondContact CA-O 3.37Å; E193-N240 HydrophobicContact CG-CB 3.86Å; E193-N240 PolarHBondContact N-O 3.35Å; E193-N240 PolarHBondContact O-N 3.02Å; Q238-N240 VanDerWaalsContact CG-OD1 3.3Å; Q238-N240 WeakPolarHBondContact CG-OD1 3.5Å; Q238-N240 PolarHBondContact NE2-OD1 3.39Å; N240-T251 HydrophobicContact CB-CG2 4.21Å; N240-T251 VanDerWaalsContact OD1-CB 3.29Å; N240-T251 WeakPolarHBondContact OD1-CB 3.07Å; N240-T251 WeakPolarHBondContact OD1-CG2 3.31Å
241D92.9Very high90Very high0 Ų064.1 Ų64.10%030%0.3CS..EExtended strand (participates in β ladder)trans-68172.4162.267.147.2000111.5N146 P150 N189 Q191 A243 R249 R250N146-D241 PolarHBondContact ND2-OD2 3.41Å; N146-D241 PolarHBondContact OD1-OD2 3.4Å; P150-D241 HydrophobicContact CG-CB 4.11Å; N189-D241 WeakPolarHBondContact O-CB 3.45Å; Q191-D241 CarbonylContact O-C 3.55Å; Q191-D241 WeakPolarHBondContact O-CA 3.42Å; D241-A243 WeakPolarHBondContact OD1-CB 3.37Å; D241-A243 PolarHBondContact OD1-N 2.78Å; D241-R249 VanDerWaalsContact OD1-CA 3.24Å; D241-R249 WeakPolarHBondContact OD1-CA 3.26Å; D241-R249 WeakPolarHBondContact OD1-CB 3.42Å; D241-R249 WeakPolarHBondContact OD1-CG 3.47Å; D241-R250 PolarHBondContact N-O 3.44Å; D241-R250 VanDerWaalsContact N-O 3.1Å; D241-R250 WeakPolarHBondContact OD2-CA 3.4Å; D241-R250 VanDerWaalsContact OD2-CB 3.23Å; D241-R250 WeakPolarHBondContact OD2-CB 3.43Å; D241-R250 PolarHBondContact OD2-N 3.46Å
242R90.4Very high90.2Very high89 Ų8963.1 Ų63.134%0.33629%0.294SS..  trans-114.540178.2-63.8177.176.2-144.40111.8P188 Q191 E193 Q244P188-R242 WeakPolarHBondContact CB-O 3.11Å; P188-R242 CarbonylContact O-C 3.56Å; P188-R242 VanDerWaalsContact O-CA 3.27Å; P188-R242 WeakPolarHBondContact O-CA 3.45Å; P188-R242 VanDerWaalsContact O-CB 3.28Å; P188-R242 WeakPolarHBondContact O-CB 3.46Å; P188-R242 PolarHBondContact O-N 2.87Å; P188-R242 VanDerWaalsContact O-N 3.13Å; Q191-R242 HydrophobicContact CB-CB 4.32Å; Q191-R242 HydrophobicContact CB-CG 4.43Å; Q191-R242 VanDerWaalsContact O-CG 3.27Å; Q191-R242 WeakPolarHBondContact O-CG 3.14Å; Q191-R242 PolarHBondContact O-N 3.07Å; E193-R242 HydrophobicContact CB-CG 4.42Å; E193-R242 HydrophobicContact CG-CG 4.2Å; E193-R242 IonicContact OE2-NE 3.09Å; R242-Q244 PolarHBondContact O-N 3.31Å
243A87.5Confident90.2Very high0 Ų061.5 Ų61.50%030%0.296CS..  trans-51.1137.2170.200000110.7N146 N189 D241 N245 E248 R249N146-A243 HydrophobicContact CB-CB 4.22Å; N189-A243 WeakPolarHBondContact OD1-CA 3.33Å; D241-A243 WeakPolarHBondContact OD1-CB 3.37Å; D241-A243 PolarHBondContact OD1-N 2.78Å; A243-N245 VanDerWaalsContact C-N 3.26Å; A243-N245 PolarHBondContact O-N 3.11Å; A243-E248 HydrophobicContact CB-CB 4.44Å; A243-R249 HydrophobicContact CB-CG 3.91Å; A243-R249 PolarHBondContact O-NE 2.94Å
244Q82.5Confident90.2Very high190 Ų19061 Ų6189%0.88830%0.295SS*.SBendtrans-61.3-37.2-175.5-84.9-171-19.800112.3R242R242-Q244 PolarHBondContact O-N 3.31Å
245N82.1Confident90.1Very high71 Ų7158.7 Ų58.738%0.3829%0.292SS..SBendtrans-90.8116.1176.5-1702.8000108.9A243 N247 E248 R249A243-N245 VanDerWaalsContact C-N 3.26Å; A243-N245 PolarHBondContact O-N 3.11Å; N245-N247 PolarHBondContact O-N 3.05Å; N245-E248 HydrophobicContact CB-CB 4.26Å; N245-E248 HydrophobicContact CB-CG 4.15Å; N245-E248 PolarHBondContact ND2-OE1 2.89Å; N245-E248 PolarHBondContact O-N 2.92Å; N245-R249 PolarHBondContact O-N 3.29Å
246L80Confident90.2Very high126 Ų12658.7 Ų58.766%0.6629%0.292SS*.G310 helixtrans-54.7-30-178-74.5163.3000113.2E248L246-E248 VanDerWaalsContact C-N 3.3Å
247N83.4Confident90.2Very high151 Ų15158.5 Ų58.581%0.80729%0.292SS*.G310 helixtrans-77.9-15-179.4-61.7-16.9000113.6N245N245-N247 PolarHBondContact O-N 3.05Å
248E85Confident90.2Very high103 Ų10358.5 Ų58.548%0.48129%0.292SS..G310 helixtrans-96.5-8.2178.1-70.8166.7-15500111.9N146 A243 N245 L246 R250N146-E248 PolarHBondContact ND2-O 2.92Å; A243-E248 HydrophobicContact CB-CB 4.44Å; N245-E248 HydrophobicContact CB-CB 4.26Å; N245-E248 HydrophobicContact CB-CG 4.15Å; N245-E248 PolarHBondContact ND2-OE1 2.89Å; N245-E248 PolarHBondContact O-N 2.92Å; L246-E248 VanDerWaalsContact C-N 3.3Å; E248-R250 PolarHBondContact O-N 3.08Å
249R89.1Confident90.3Very high79 Ų7957.5 Ų57.530%0.29829%0.288SS..  trans-63.8133.4179-68.7-171.7175-161.4-8.4111.4E193 D241 A243 N245E193-R249 IonicContact OE1-CZ 3.86Å; E193-R249 IonicContact OE1-NH1 2.67Å; E193-R249 PolarHBondContact OE1-NH1 3.16Å; D241-R249 VanDerWaalsContact OD1-CA 3.24Å; D241-R249 WeakPolarHBondContact OD1-CA 3.26Å; D241-R249 WeakPolarHBondContact OD1-CB 3.42Å; D241-R249 WeakPolarHBondContact OD1-CG 3.47Å; A243-R249 HydrophobicContact CB-CG 3.91Å; A243-R249 PolarHBondContact O-NE 2.94Å; N245-R249 PolarHBondContact O-N 3.29Å
250R91.2Very high90.2Very high92 Ų9257.8 Ų57.835%0.34729%0.29SS..  trans-108.9150.1175.7-64165.6169.9-119.57.7109.1N146 D147 N148 S149 D241 E248N146-R250 PolarHBondContact O-NE 3.43Å; D147-R250 VanDerWaalsContact C-CZ 3.43Å; D147-R250 PolarHBondContact O-NH1 2.96Å; D147-R250 PolarHBondContact O-NH2 2.87Å; N148-R250 WeakPolarHBondContact O-CD 3.48Å; S149-R250 WeakPolarHBondContact OG-CB 3.37Å; S149-R250 PolarHBondContact OG-NH1 2.91Å; D241-R250 PolarHBondContact N-O 3.44Å; D241-R250 VanDerWaalsContact N-O 3.1Å; D241-R250 WeakPolarHBondContact OD2-CA 3.4Å; D241-R250 VanDerWaalsContact OD2-CB 3.23Å; D241-R250 WeakPolarHBondContact OD2-CB 3.43Å; D241-R250 PolarHBondContact OD2-N 3.46Å; E248-R250 PolarHBondContact O-N 3.08Å
251T93.2Very high90.2Very high68 Ų6860.2 Ų60.242%0.41730%0.303SS..EExtended strand (participates in β ladder)trans-143.9142.9-168.171.20000109.6A239 N240A239-T251 CarbonylContact O-C 3.45Å; A239-T251 VanDerWaalsContact O-CA 3.27Å; A239-T251 WeakPolarHBondContact O-CA 3.47Å; N240-T251 HydrophobicContact CB-CG2 4.21Å; N240-T251 VanDerWaalsContact OD1-CB 3.29Å; N240-T251 WeakPolarHBondContact OD1-CB 3.07Å; N240-T251 WeakPolarHBondContact OD1-CG2 3.31Å
252T94.2Very high90Very high44 Ų4460.5 Ų60.527%0.2730%0.304SS..EExtended strand (participates in β ladder)trans-134.1149.2172.9-61.90000109P150 F152 Q238 A239P150-T252 WeakPolarHBondContact O-CB 3.47Å; P150-T252 PolarHBondContact O-OG1 2.83Å; F152-T252 HydrophobicContact CD2-CG2 4.14Å; Q238-T252 WeakPolarHBondContact CA-O 3.19Å; A239-T252 PolarHBondContact N-O 3.1Å; A239-T252 PolarHBondContact O-N 2.75Å
253T93.9Very high89.9Confident72 Ų7256.4 Ų56.444%0.44229%0.289SS..EExtended strand (participates in β ladder)trans-118.8151.7-178.859.20000111.3I236 I237 Q238I236-T253 HydrophobicContact CG2-CG2 4.22Å; I237-T253 CarbonylContact O-C 3.56Å; I237-T253 VanDerWaalsContact O-CA 3.24Å; I237-T253 WeakPolarHBondContact O-CA 3.5Å; Q238-T253 HydrophobicContact CB-CG2 4.01Å; Q238-T253 HydrophobicContact CG-CG2 4.01Å
254T93.6Very high90Very high7 Ų758.1 Ų58.14%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-140.2163.1169.8-173.50000108.9F152 E155 Y157 F175 I237F152-T254 HydrophobicContact CD1-CG2 3.77Å; F152-T254 HydrophobicContact CD2-CG2 3.72Å; F152-T254 HydrophobicContact CE1-CG2 3.58Å; F152-T254 HydrophobicContact CE2-CG2 3.55Å; F152-T254 HydrophobicContact CG-CG2 3.82Å; F152-T254 HydrophobicContact CZ-CG2 3.48Å; F152-T254 VanDerWaalsContact CZ-CG2 3.48Å; E155-T254 PolarHBondContact O-OG1 3.19Å; Y157-T254 HydrophobicContact CD2-CG2 3.82Å; Y157-T254 HydrophobicContact CE2-CG2 3.83Å; F175-T254 HydrophobicContact CE1-CG2 4.43Å; I237-T254 HydrophobicContact CB-CG2 4.02Å; I237-T254 PolarHBondContact N-O 3.16Å; I237-T254 PolarHBondContact O-N 3.05Å
255T93.5Very high90.2Very high57 Ų5751.7 Ų51.735%0.3527%0.27SS..EExtended strand (participates in β ladder)trans-103.4126.4176.150.60000110.4S156 Y157 I236S156-T255 WeakPolarHBondContact CA-O 3.26Å; S156-T255 WeakPolarHBondContact CB-O 3.34Å; Y157-T255 PolarHBondContact N-O 3.08Å; I236-T255 HydrophobicContact CG1-CG2 4.39Å
256L94.2Very high90.4Very high0 Ų050.6 Ų50.60%026%0.264CS..EExtended strand (participates in β ladder)trans-97.6111165.417464.9000108Y157 A159 F172 V219 V235 I237 V258Y157-L256 WeakPolarHBondContact O-CA 3.33Å; A159-L256 HydrophobicContact CB-CD1 4.25Å; F172-L256 HydrophobicContact CB-CD2 4.12Å; F172-L256 HydrophobicContact CD1-CD1 4.37Å; F172-L256 HydrophobicContact CD1-CD2 4.13Å; F172-L256 HydrophobicContact CD2-CD1 3.95Å; F172-L256 HydrophobicContact CE1-CD1 4.48Å; F172-L256 HydrophobicContact CE2-CD1 4.06Å; F172-L256 HydrophobicContact CG-CD1 4.1Å; F172-L256 HydrophobicContact CG-CD2 4.08Å; F172-L256 HydrophobicContact CZ-CD1 4.33Å; V219-L256 HydrophobicContact CB-CD2 4.32Å; V219-L256 HydrophobicContact CG1-CD2 4.36Å; V219-L256 HydrophobicContact CG2-CD2 3.82Å; V235-L256 HydrophobicContact CB-CB 4.3Å; V235-L256 PolarHBondContact N-O 2.9Å; V235-L256 PolarHBondContact O-N 3.48Å; I237-L256 HydrophobicContact CD1-CB 4.49Å; I237-L256 HydrophobicContact CG1-CB 3.95Å; L256-V258 HydrophobicContact CD2-CG2 4.15Å; L256-V258 HydrophobicContact CG-CG2 3.91Å
257T95Very high90.7Very high24 Ų2444.8 Ų44.815%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-87.6121.1173.9-55.60000108.8Y157 Y158 A159 R232 Y233 Y234Y157-T257 PolarHBondContact O-N 2.99Å; Y158-T257 WeakPolarHBondContact CA-O 3.42Å; Y158-T257 HydrophobicContact CD2-CG2 4.27Å; Y158-T257 HydrophobicContact CE2-CG2 4.4Å; A159-T257 PolarHBondContact N-O 3.31Å; R232-T257 HydrophobicContact CG-CG2 4.03Å; Y233-T257 WeakPolarHBondContact O-CA 3.13Å; Y234-T257 HydrophobicContact CD1-CG2 4.23Å; Y234-T257 HydrophobicContact CE1-CG2 4.02Å
258V94.5Very high91Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-113.4111.1179.7-175.40000108.9A159 V161 I171 F209 R232 Y233 V235 L256A159-V258 WeakPolarHBondContact O-CA 3.3Å; V161-V258 HydrophobicContact CB-CG1 4.46Å; V161-V258 HydrophobicContact CG1-CG1 3.48Å; V161-V258 VanDerWaalsContact CG1-CG1 3.48Å; I171-V258 HydrophobicContact CD1-CG1 4.07Å; I171-V258 HydrophobicContact CD1-CG2 4.02Å; F209-V258 HydrophobicContact CE1-CG1 4.2Å; F209-V258 HydrophobicContact CZ-CB 4.12Å; F209-V258 HydrophobicContact CZ-CG1 3.92Å; F209-V258 HydrophobicContact CZ-CG2 4.32Å; R232-V258 WeakPolarHBondContact CA-O 3.22Å; Y233-V258 PolarHBondContact N-O 2.91Å; Y233-V258 PolarHBondContact O-N 3.03Å; V235-V258 HydrophobicContact CG2-CG2 4.24Å; L256-V258 HydrophobicContact CD2-CG2 4.15Å; L256-V258 HydrophobicContact CG-CG2 3.91Å
259D93.3Very high91.1Very high20 Ų2034.7 Ų34.711%0.10718%0.184CC..EExtended strand (participates in β ladder)trans-91.2129.6174-78.7-10.9000110Y158 A159 T160 V161 R232Y158-D259 HydrophobicContact CE2-CB 4.26Å; Y158-D259 VanDerWaalsContact CE2-OD2 3.27Å; Y158-D259 WeakPolarHBondContact CE2-OD2 3.36Å; Y158-D259 WeakPolarHBondContact OH-CB 3.38Å; Y158-D259 PolarHBondContact OH-OD2 3.35Å; A159-D259 PolarHBondContact O-N 3.41Å; T160-D259 VanDerWaalsContact CA-O 3.32Å; T160-D259 WeakPolarHBondContact CA-O 3.43Å; T160-D259 HydrophobicContact CG2-CB 4.15Å; V161-D259 PolarHBondContact N-O 3.31Å; R232-D259 VanDerWaalsContact CG-OD1 3.31Å; R232-D259 WeakPolarHBondContact CG-OD1 3.33Å; R232-D259 IonicContact CZ-OD1 3.38Å; R232-D259 IonicContact CZ-OD2 2.93Å; R232-D259 IonicContact NE-OD1 3.65Å; R232-D259 PolarHBondContact NE-OD1 3.06Å; R232-D259 IonicContact NE-OD2 3.56Å; R232-D259 IonicContact NH2-OD1 4Å; R232-D259 PolarHBondContact NH2-OD1 2.53Å; R232-D259 IonicContact NH2-OD2 2.83Å; R232-D259 PolarHBondContact NH2-OD2 2.69Å
260V92.7Very high91.2Very high6 Ų631.1 Ų31.14%0.03617%0.17CC..EExtended strand (participates in β ladder)trans-84.2129.9174.6-171.70000108V161 E163 L225 Y227 T231 Y233V161-V260 CarbonylContact O-C 3.56Å; V161-V260 VanDerWaalsContact O-CA 3.3Å; V161-V260 WeakPolarHBondContact O-CA 3.36Å; E163-V260 HydrophobicContact CB-CG1 3.75Å; L225-V260 HydrophobicContact CB-CG1 4.18Å; L225-V260 HydrophobicContact CD1-CG1 4.26Å; L225-V260 HydrophobicContact CD1-CG2 4.22Å; L225-V260 HydrophobicContact CD2-CG2 4.34Å; Y227-V260 HydrophobicContact CD2-CB 4.18Å; Y227-V260 HydrophobicContact CD2-CG1 4.13Å; Y227-V260 WeakPolarHBondContact CD2-O 3.13Å; Y227-V260 WeakPolarHBondContact CE2-O 3.33Å; T231-V260 PolarHBondContact O-N 2.99Å; Y233-V260 HydrophobicContact CD2-CG2 4.01Å; Y233-V260 HydrophobicContact CE2-CG2 3.73Å
261L91.1Very high90.8Very high66 Ų6629.1 Ų29.135%0.34617%0.166SC..EExtended strand (participates in β ladder)trans-94.3129.8170.6-57.3175.8000108.5T160 V161 E163T160-L261 HydrophobicContact CG2-CD2 4.4Å; V161-L261 PolarHBondContact O-N 2.81Å; E163-L261 PolarHBondContact N-O 2.9Å
262D90.4Very high90.4Very high5 Ų528.7 Ų28.73%0.02717%0.165CC..BIsolated β-bridgetrans-62.9129.8175.8-163.5-25.8000109.6E163 Y227 R316 N317E163-D262 VanDerWaalsContact OE1-CA 3.29Å; E163-D262 WeakPolarHBondContact OE1-CA 3.41Å; Y227-D262 HydrophobicContact CD1-CB 3.6Å; Y227-D262 VanDerWaalsContact CD1-CG 3.41Å; Y227-D262 WeakPolarHBondContact CD1-OD2 3.35Å; Y227-D262 HydrophobicContact CD2-CB 3.81Å; Y227-D262 HydrophobicContact CE1-CB 3.77Å; Y227-D262 VanDerWaalsContact CE1-OD2 3.31Å; Y227-D262 WeakPolarHBondContact CE1-OD2 3.19Å; Y227-D262 HydrophobicContact CE2-CB 3.95Å; Y227-D262 HydrophobicContact CG-CB 3.64Å; D262-R316 WeakPolarHBondContact OD2-CA 3.37Å; D262-R316 PolarHBondContact OD2-N 2.74Å; D262-N317 WeakPolarHBondContact CB-O 3.48Å; D262-N317 PolarHBondContact OD2-N 2.81Å
263G88.2Confident89.7Confident3 Ų328 Ų283%0.03116%0.162CC..  trans-124.9144.8179.400000110.6E163 D265E163-G263 PolarHBondContact OE1-N 3.5Å; G263-D265 PolarHBondContact O-N 2.87Å
264D88.3Confident88.9Confident37 Ų3728.9 Ų28.920%0.19817%0.167CC..SBendtrans-60.290.9-179-179.249.4000112.2D315 I318 Q374 N376 H378D264-D315 WeakPolarHBondContact CA-OD2 3.31Å; D264-I318 HydrophobicContact CB-CD1 4.05Å; D264-Q374 PolarHBondContact OD1-NE2 2.64Å; D264-N376 PolarHBondContact OD2-ND2 2.8Å; D264-H378 IonicContact OD1-CD2 3.4Å; D264-H378 IonicContact OD2-CD2 2.73Å; D264-H378 PolarHBondContact OD2-CD2 3.05Å
265D86.4Confident87.8Confident54 Ų5434.5 Ų34.529%0.28920%0.196SC..  trans-130.4-13.4-177101.7-36.3000113.4L164 G263L164-D265 HydrophobicContact CD2-CB 3.66Å; G263-D265 PolarHBondContact O-N 2.87Å
266L87Confident86.5Confident49 Ų4934.5 Ų34.526%0.25720%0.195SC..SBendtrans-104.4153.2171.2-51.5179000111.7E228 Q314 D315 Q374 H378E228-L266 HydrophobicContact CG-CD1 3.96Å; L266-Q314 HydrophobicContact CB-CB 3.66Å; L266-Q314 HydrophobicContact CD1-CB 3.92Å; L266-Q314 HydrophobicContact CG-CB 4.44Å; L266-D315 VanDerWaalsContact CB-OD1 3.22Å; L266-D315 WeakPolarHBondContact CB-OD1 3.36Å; L266-D315 WeakPolarHBondContact CG-OD1 3.47Å; L266-D315 PolarHBondContact N-OD1 2.7Å; L266-D315 VanDerWaalsContact N-OD1 3.16Å; L266-Q374 PolarHBondContact O-NE2 2.78Å; L266-Q374 PolarHBondContact O-OE1 2.84Å; L266-H378 PolarHBondContact O-CE1 2.85Å; L266-H378 VanDerWaalsContact O-CE1 3.32Å
267G86.1Confident85.2Confident4 Ų439.6 Ų39.64%0.04123%0.229CC..  trans-90.3177.617800000112.8Q314 L380G267-Q314 VanDerWaalsContact O-CB 3.31Å; G267-Q314 WeakPolarHBondContact O-CB 3.44Å; G267-Q314 WeakPolarHBondContact O-CG 3.37Å; G267-Q314 PolarHBondContact O-N 2.77Å; G267-Q314 PolarHBondContact O-OE1 3.48Å; G267-Q314 VanDerWaalsContact O-OE1 3.08Å; G267-L380 WeakPolarHBondContact CA-O 3.19Å
268P91Very high83.6Confident6 Ų646.9 Ų46.94%0.03927%0.267CS..EExtended strand (participates in β ladder)trans-68156.4169.529.4-34.9000112I312 I327 A372 L380 A382P268-I312 CarbonylContact C-O 3.53Å; P268-I312 VanDerWaalsContact CA-O 3.28Å; P268-I312 WeakPolarHBondContact CA-O 3.25Å; P268-I327 HydrophobicContact CB-CD1 4.15Å; P268-I327 HydrophobicContact CB-CG1 4.34Å; P268-I327 HydrophobicContact CB-CG2 4.46Å; P268-A372 HydrophobicContact CB-CB 4.43Å; P268-A372 HydrophobicContact CG-CB 4.27Å; P268-A372 WeakPolarHBondContact CG-O 3.4Å; P268-L380 WeakPolarHBondContact CD-O 3.27Å; P268-A382 VanDerWaalsContact O-CB 3.27Å; P268-A382 WeakPolarHBondContact O-CB 3.47Å
269M87.1Confident82.2Confident36 Ų3650 Ų5018%0.17729%0.286CS..EExtended strand (participates in β ladder)trans-133.4130.8175.4178.1179.668.800110.4L271 C282 A311 I312 Q314M269-L271 HydrophobicContact CE-CD2 4.13Å; M269-C282 HydrophobicContact CG-CB 4.22Å; M269-C282 HydrophobicContact SD-CB 3.38Å; M269-C282 WeakPolarHBondContact SD-CB 3.44Å; M269-A311 CarbonylContact O-C 3.52Å; M269-A311 WeakPolarHBondContact O-CA 3.49Å; M269-I312 HydrophobicContact CE-CD1 4.44Å; M269-I312 PolarHBondContact N-O 2.76Å; M269-I312 PolarHBondContact O-N 2.85Å; M269-Q314 HydrophobicContact CB-CG 3.67Å
270F90.7Very high80.7Confident3 Ų357.3 Ų57.31%0.01331%0.312CS..EExtended strand (participates in β ladder)trans-69.9145.1175.4-80.2-71.6000112.3C273 P284 Y287 I309 Q310 A311 Y329 I370 A372 A382 A384F270-C273 WeakPolarHBondContact O-CB 3.41Å; F270-P284 HydrophobicContact CB-CB 3.94Å; F270-Y287 HydrophobicContact CD1-CE2 4.15Å; F270-Y287 HydrophobicContact CG-CE2 4.47Å; F270-I309 HydrophobicContact CD1-CG2 4.37Å; F270-I309 HydrophobicContact CE1-CG2 3.92Å; F270-Q310 CarbonylContact C-O 3.52Å; F270-Q310 WeakPolarHBondContact CA-O 2.91Å; F270-A311 HydrophobicContact CD1-CB 4Å; F270-A311 HydrophobicContact CE1-CB 4.28Å; F270-A311 HydrophobicContact CG-CB 4.43Å; F270-Y329 HydrophobicContact CE1-CD1 4.19Å; F270-Y329 HydrophobicContact CE1-CE1 4.09Å; F270-I370 HydrophobicContact CE1-CD1 3.84Å; F270-I370 HydrophobicContact CE1-CG1 4.36Å; F270-I370 HydrophobicContact CZ-CD1 3.97Å; F270-I370 HydrophobicContact CZ-CG1 3.97Å; F270-A372 HydrophobicContact CE1-CB 4.06Å; F270-A372 HydrophobicContact CE2-CB 3.88Å; F270-A372 HydrophobicContact CZ-CB 3.54Å; F270-A382 HydrophobicContact CD2-CB 3.93Å; F270-A382 HydrophobicContact CE2-CB 4.05Å; F270-A384 HydrophobicContact CD2-CB 3.74Å; F270-A384 HydrophobicContact CE2-CB 3.86Å; F270-A384 HydrophobicContact CG-CB 4.11Å; F270-A384 HydrophobicContact CZ-CB 4.33Å
271L82.5Confident79.3Confident50 Ų5062.1 Ų62.126%0.26234%0.337SS..EExtended strand (participates in β ladder)trans-124.5148177.3-65.4177.5000111M269 Y287 Q310 I312M269-L271 HydrophobicContact CE-CD2 4.13Å; L271-Y287 PolarHBondContact O-OH 3.32Å; L271-Q310 PolarHBondContact N-O 2.84Å; L271-I312 HydrophobicContact CD1-CB 4.41Å; L271-I312 HydrophobicContact CD1-CD1 3.88Å; L271-I312 HydrophobicContact CD1-CG1 3.83Å; L271-I312 HydrophobicContact CD1-CG2 3.75Å; L271-I312 HydrophobicContact CG-CD1 4.47Å; L271-I312 HydrophobicContact CG-CG1 4.16Å
272P84.6Confident78.3Confident60 Ų6059.9 Ų59.939%0.3933%0.327SS..SBendcis-67.1156.9-17.227.3-30.7000111.6L285 P307P272-L285 HydrophobicContact CB-CD1 3.97Å; P272-L285 HydrophobicContact CG-CD1 3.7Å; P272-P307 HydrophobicContact CG-CB 3.85Å; P272-P307 HydrophobicContact CG-CG 3.72Å
273C80.5Confident77.3Confident30 Ų3068.5 Ų68.520%0.20336%0.359CS..EExtended strand (participates in β ladder)trans-138159.617865.40000110.5F270 C282 R283F270-C273 WeakPolarHBondContact O-CB 3.41Å; C273-C282 HydrophobicContact CB-CB 3.74Å; C273-C282 WeakPolarHBondContact CB-SG 3.42Å; C273-C282 WeakPolarHBondContact SG-CB 3.28Å; C273-C282 CovalentContact SG-SG 2.01Å; C273-C282 PolarHBondContact SG-SG 3.32Å; C273-R283 WeakPolarHBondContact CA-O 3.33Å; C273-R283 WeakPolarHBondContact CB-O 3.34Å
274V76.5Confident76.6Confident90 Ų9070.3 Ų70.355%0.54537%0.37SS..EExtended strand (participates in β ladder)trans-102.8119.3178.7-176.10000109.1V276 C282 R283 L285V274-V276 PolarHBondContact O-N 2.93Å; V274-C282 VanDerWaalsContact C-SG 3.6Å; V274-R283 PolarHBondContact N-O 3.15Å; V274-R283 PolarHBondContact O-N 3.23Å; V274-L285 HydrophobicContact CG2-CD2 4.37Å; V274-L285 HydrophobicContact CG2-CG 4.35Å
275L70.7Confident76.1Confident124 Ų12472 Ų7265%0.64938%0.378SS*.EExtended strand (participates in β ladder)trans-57.7124.1175.9-90.8147.7000110.7
276V65.9Low76.1Confident57 Ų5773 Ų7335%0.34539%0.387SS..PPolyproline II helixtrans-77124.51781750000108.6V274 N278 T279 D281 R283V274-V276 PolarHBondContact O-N 2.93Å; V276-N278 PolarHBondContact O-N 3Å; V276-T279 VanDerWaalsContact CB-OG1 3.26Å; V276-T279 WeakPolarHBondContact CB-OG1 3.41Å; V276-T279 HydrophobicContact CG1-CG2 4.2Å; V276-T279 PolarHBondContact O-N 3.03Å; V276-T279 PolarHBondContact O-OG1 3.25Å; V276-D281 PolarHBondContact N-O 3.35Å; V276-R283 HydrophobicContact CG2-CB 4.06Å
277P67.3Low76.3Confident108 Ų10870.7 Ų70.770%0.70138%0.375SS*.THydrogen-bonded Turntrans-54.1134.5-174.2-24.931.9000112.9T279P277-T279 PolarHBondContact O-N 3.16Å
278N61.3Low76.6Confident176 Ų17675.8 Ų75.894%0.94140%0.398SS*.THydrogen-bonded Turntrans65.214.7-177.3-51.6-39000115.5V276V276-N278 PolarHBondContact O-N 3Å
279T64.9Low76.8Confident65 Ų6575.8 Ų75.840%0.39940%0.398SS..SBendtrans-128.4160.4172.973.80000110V276 P277 D281V276-T279 VanDerWaalsContact CB-OG1 3.26Å; V276-T279 WeakPolarHBondContact CB-OG1 3.41Å; V276-T279 HydrophobicContact CG1-CG2 4.2Å; V276-T279 PolarHBondContact O-N 3.03Å; V276-T279 PolarHBondContact O-OG1 3.25Å; P277-T279 PolarHBondContact O-N 3.16Å; T279-D281 WeakPolarHBondContact OG1-CB 3.41Å; T279-D281 PolarHBondContact OG1-N 2.75Å; T279-D281 VanDerWaalsContact OG1-N 3.17Å
280R62.3Low77Confident175 Ų17576.8 Ų76.866%0.6641%0.412SS*.SBendtrans-84.35.7164.1-69.8-174.6179.5167.94.3111.8D229D229-R280 IonicContact OD1-CZ 3.84Å; D229-R280 VanDerWaalsContact OD1-CZ 3.27Å; D229-R280 IonicContact OD1-NH1 3.9Å; D229-R280 PolarHBondContact OD1-NH1 3.32Å; D229-R280 IonicContact OD1-NH2 2.62Å; D229-R280 PolarHBondContact OD1-NH2 3.39Å
281D63.1Low77Confident107 Ų10776.8 Ų76.857%0.57241%0.413SS*.  trans-87.5147.3-173.5-154.8-2.1000110.6V276 T279V276-D281 PolarHBondContact N-O 3.35Å; T279-D281 WeakPolarHBondContact OG1-CB 3.41Å; T279-D281 PolarHBondContact OG1-N 2.75Å; T279-D281 VanDerWaalsContact OG1-N 3.17Å
282C69.1Low77.2Confident18 Ų1875.7 Ų75.712%0.12241%0.408CS..EExtended strand (participates in β ladder)trans-125.9122-171.4-145.20000110.8M269 C273 V274M269-C282 HydrophobicContact CG-CB 4.22Å; M269-C282 HydrophobicContact SD-CB 3.38Å; M269-C282 WeakPolarHBondContact SD-CB 3.44Å; C273-C282 HydrophobicContact CB-CB 3.74Å; C273-C282 WeakPolarHBondContact CB-SG 3.42Å; C273-C282 WeakPolarHBondContact SG-CB 3.28Å; C273-C282 CovalentContact SG-SG 2.01Å; C273-C282 PolarHBondContact SG-SG 3.32Å; V274-C282 VanDerWaalsContact C-SG 3.6Å
283R70.6Confident77.4Confident187 Ų18773.2 Ų73.271%0.70639%0.392SS*.EExtended strand (participates in β ladder)trans-85.4122.3176.5-174.8179.1174.2-172.1-1.9109.3C273 V274 V276C273-R283 WeakPolarHBondContact CA-O 3.33Å; C273-R283 WeakPolarHBondContact CB-O 3.34Å; V274-R283 PolarHBondContact N-O 3.15Å; V274-R283 PolarHBondContact O-N 3.23Å; V276-R283 HydrophobicContact CG2-CB 4.06Å
284P72.8Confident77.7Confident40 Ų4076 Ų7626%0.2640%0.404SS..EExtended strand (participates in β ladder)trans-64147.1176.521.7-27.7000111.4F270 F383 A384F270-P284 HydrophobicContact CB-CB 3.94Å; P284-F383 VanDerWaalsContact CG-O 3.26Å; P284-F383 WeakPolarHBondContact CG-O 3.43Å; P284-A384 HydrophobicContact CB-CB 3.9Å; P284-A384 HydrophobicContact CG-CB 4.08Å
285L77.4Confident78.1Confident72 Ų7276.9 Ų76.938%0.37740%0.397SS..PPolyproline II helixtrans-70.7155.3169.8-77.3146.2000110P272 V274 Y287P272-L285 HydrophobicContact CB-CD1 3.97Å; P272-L285 HydrophobicContact CG-CD1 3.7Å; V274-L285 HydrophobicContact CG2-CD2 4.37Å; V274-L285 HydrophobicContact CG2-CG 4.35Å; L285-Y287 PolarHBondContact O-N 3.4Å
286T85.9Confident79Confident77 Ų7773.4 Ų73.447%0.47238%0.381SS..PPolyproline II helixtrans-73.3121.6167.7-53.90000108.1H387T286-H387 HydrophobicContact CG2-CB 4.35Å
287Y92.4Very high80Confident0 Ų072.3 Ų72.30%038%0.376CS..EExtended strand (participates in β ladder)trans-76.1142.3173.3-65.5-76.2000109.9F270 L271 L285 V305 P307 I309 I370 A384 S385 L386 H387F270-Y287 HydrophobicContact CD1-CE2 4.15Å; F270-Y287 HydrophobicContact CG-CE2 4.47Å; L271-Y287 PolarHBondContact O-OH 3.32Å; L285-Y287 PolarHBondContact O-N 3.4Å; Y287-V305 HydrophobicContact CD1-CG1 4.22Å; Y287-V305 HydrophobicContact CG-CG1 4.37Å; Y287-P307 HydrophobicContact CD1-CG 3.92Å; Y287-P307 WeakPolarHBondContact CD1-O 2.95Å; Y287-P307 HydrophobicContact CE1-CG 3.83Å; Y287-P307 WeakPolarHBondContact CE1-O 3.17Å; Y287-I309 HydrophobicContact CD1-CG1 3.89Å; Y287-I309 HydrophobicContact CD2-CG1 4.44Å; Y287-I309 HydrophobicContact CE1-CB 4.43Å; Y287-I309 HydrophobicContact CE1-CG1 4.07Å; Y287-I309 HydrophobicContact CG-CG1 4.07Å; Y287-I370 HydrophobicContact CD2-CD1 3.82Å; Y287-I370 HydrophobicContact CE2-CD1 3.92Å; Y287-A384 HydrophobicContact CD2-CB 3.92Å; Y287-A384 HydrophobicContact CE2-CB 3.61Å; Y287-S385 PolarHBondContact N-O 2.93Å; Y287-L386 CarbonylContact O-C 3.59Å; Y287-L386 WeakPolarHBondContact O-CA 3.26Å; Y287-H387 PolarHBondContact O-N 2.85Å
288Q92.6Very high80.9Confident110 Ų11076 Ų7651%0.51438%0.383SS..EExtended strand (participates in β ladder)trans-130.9138.5-177.6-65.9-175.9-23.500111.4T306 H387Q288-T306 PolarHBondContact N-O 3.14Å; Q288-T306 PolarHBondContact O-N 3.04Å; Q288-T306 PolarHBondContact O-OG1 3.13Å; Q288-T306 VanDerWaalsContact O-OG1 3.13Å; Q288-H387 CarbonylContact C-O 3.59Å; Q288-H387 VanDerWaalsContact CA-O 3.27Å; Q288-H387 WeakPolarHBondContact CA-O 3.39Å; Q288-H387 HydrophobicContact CG-CB 4.47Å
289A93.6Very high82.1Confident7 Ų773.4 Ų73.46%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-134.6148.2169.600000109.5I303 V305 H387 I388 E389A289-I303 HydrophobicContact CB-CG2 3.88Å; A289-V305 HydrophobicContact CB-CG2 4.35Å; A289-H387 PolarHBondContact N-O 2.96Å; A289-I388 HydrophobicContact CB-CG1 4.35Å; A289-I388 HydrophobicContact CB-CG2 4.32Å; A289-I388 CarbonylContact O-C 3.2Å; A289-I388 WeakPolarHBondContact O-CA 3.45Å; A289-E389 PolarHBondContact O-N 2.81Å
290A91.6Very high83.1Confident57 Ų5772 Ų7247%0.47136%0.355SS..EExtended strand (participates in β ladder)trans-128.4126.5175.700000108.6E389 L391A290-E389 WeakPolarHBondContact CA-O 3.35Å; A290-L391 HydrophobicContact CB-CD1 3.9Å; A290-L391 HydrophobicContact CB-CD2 4.16Å; A290-L391 HydrophobicContact CB-CG 4.02Å
291I90.7Very high84.4Confident3 Ų366.4 Ų66.42%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-126.9122.2-172.2-60.2174.7000108.5L300 I303 F343 I388 E389 I390 L391I291-L300 HydrophobicContact CB-CD2 4.34Å; I291-L300 HydrophobicContact CD1-CD2 4.05Å; I291-L300 HydrophobicContact CG1-CD2 4.06Å; I291-L300 HydrophobicContact CG2-CD1 3.97Å; I291-L300 HydrophobicContact CG2-CD2 3.42Å; I291-L300 VanDerWaalsContact CG2-CD2 3.42Å; I291-L300 HydrophobicContact CG2-CG 4.37Å; I291-I303 HydrophobicContact CD1-CD1 3.68Å; I291-I303 HydrophobicContact CD1-CG1 4.03Å; I291-I303 HydrophobicContact CD1-CG2 3.97Å; I291-I303 HydrophobicContact CG1-CG2 4.14Å; I291-F343 HydrophobicContact CD1-CE1 3.67Å; I291-F343 HydrophobicContact CD1-CZ 4.17Å; I291-I388 HydrophobicContact CD1-CG2 3.59Å; I291-I388 HydrophobicContact CG1-CG2 4.07Å; I291-E389 PolarHBondContact N-O 3.31Å; I291-I390 HydrophobicContact CB-CD1 4.14Å; I291-I390 CarbonylContact O-C 3.6Å; I291-I390 WeakPolarHBondContact O-CA 3.17Å; I291-L391 PolarHBondContact O-N 2.81Å
292P88.3Confident85.7Confident26 Ų2665.1 Ų65.117%0.16934%0.336CS..EExtended strand (participates in β ladder)trans-62.3136.4169.7-14.928.2000110.7R295 E393P292-R295 HydrophobicContact CB-CG 3.89Å; P292-R295 HydrophobicContact CG-CG 4.28Å; P292-E393 HydrophobicContact CB-CG 4.06Å; P292-E393 WeakPolarHBondContact CB-OE1 3.32Å
293E88Confident86.7Confident9 Ų964.9 Ų64.94%0.04233%0.333CS..THydrogen-bonded Turntrans-62.2158.3179.774.1176120.700113R295 V358 R360 I390 L391 E393E293-R295 PolarHBondContact O-N 3.19Å; E293-V358 WeakPolarHBondContact CA-O 3.27Å; E293-R360 HydrophobicContact CB-CB 3.98Å; E293-R360 HydrophobicContact CG-CB 4.38Å; E293-R360 VanDerWaalsContact OE2-CB 3.27Å; E293-R360 WeakPolarHBondContact OE2-CB 3.36Å; E293-R360 PolarHBondContact OE2-N 2.95Å; E293-R360 VanDerWaalsContact OE2-N 3.08Å; E293-I390 HydrophobicContact CB-CG2 3.77Å; E293-L391 PolarHBondContact N-O 2.86Å; E293-E393 HydrophobicContact CG-CB 4.07Å; E293-E393 HydrophobicContact CG-CG 4.34Å; E293-E393 PolarHBondContact OE1-N 2.87Å
294L86.3Confident87.7Confident88 Ų8862.9 Ų62.946%0.46134%0.336SS..THydrogen-bonded Turntrans58.63.9176.8-55177000116.1V358 N359L294-V358 PolarHBondContact N-O 3.37Å; L294-N359 HydrophobicContact CD2-CB 3.85Å
295R86.5Confident88.6Confident108 Ų10861.5 Ų61.541%0.40833%0.327SS..  trans-60.9135.8171.3-79.6-76.6-174.71740.3111.4P292 E293 E299 L300P292-R295 HydrophobicContact CB-CG 3.89Å; P292-R295 HydrophobicContact CG-CG 4.28Å; E293-R295 PolarHBondContact O-N 3.19Å; R295-E299 VanDerWaalsContact CD-OE2 3.27Å; R295-E299 WeakPolarHBondContact CD-OE2 3.38Å; R295-E299 IonicContact CZ-OE2 2.82Å; R295-E299 IonicContact NE-OE2 3.32Å; R295-E299 IonicContact NH1-OE2 2.95Å; R295-E299 PolarHBondContact NH1-OE2 2.78Å; R295-L300 HydrophobicContact CB-CD1 4.25Å; R295-L300 HydrophobicContact CG-CD1 4.42Å
296T88Confident89.1Confident51 Ų5161.9 Ų61.931%0.31333%0.332SS..  trans-76.3150.5178.963.10000111.1E298 E299 L300T296-E298 PolarHBondContact O-N 2.95Å; T296-E298 VanDerWaalsContact O-N 3.15Å; T296-E299 PolarHBondContact O-N 2.95Å; T296-E299 VanDerWaalsContact O-N 3.13Å; T296-E299 WeakPolarHBondContact OG1-CG 3.49Å; T296-L300 PolarHBondContact O-N 2.75Å
297P88Confident89.3Confident35 Ų3560 Ų6023%0.22732%0.321CS..Hα-helixtrans-54.1-30.7174.4-3037.2000114.2N301 L354 L355P297-N301 WeakPolarHBondContact O-CB 3.49Å; P297-N301 VanDerWaalsContact O-CG 3.24Å; P297-N301 PolarHBondContact O-N 2.91Å; P297-N301 PolarHBondContact O-ND2 2.87Å; P297-L354 WeakPolarHBondContact CB-O 3.2Å; P297-L355 WeakPolarHBondContact CG-O 3.33Å
298E86.4Confident89.2Confident184 Ų18463.8 Ų63.886%0.8635%0.346SS*.Hα-helixtrans-69.9-32.8-178.8-65.5171.1-175.800112.3T296T296-E298 PolarHBondContact O-N 2.95Å; T296-E298 VanDerWaalsContact O-N 3.15Å
299E85.1Confident89.1Confident123 Ų12359.2 Ų59.258%0.57533%0.325SS*.Hα-helixtrans-87.3-33.7-179.3-68.9174.4-168.800113.1R295 T296R295-E299 VanDerWaalsContact CD-OE2 3.27Å; R295-E299 WeakPolarHBondContact CD-OE2 3.38Å; R295-E299 IonicContact CZ-OE2 2.82Å; R295-E299 IonicContact NE-OE2 3.32Å; R295-E299 IonicContact NH1-OE2 2.95Å; R295-E299 PolarHBondContact NH1-OE2 2.78Å; T296-E299 PolarHBondContact O-N 2.95Å; T296-E299 VanDerWaalsContact O-N 3.13Å; T296-E299 WeakPolarHBondContact OG1-CG 3.49Å
300L86.5Confident88.9Confident34 Ų3464 Ų6418%0.17835%0.346CS..Hα-helixtrans-92.4-28.9-170.6-163.586.1000113.5I291 R295 T296 P302 I303 L354I291-L300 HydrophobicContact CB-CD2 4.34Å; I291-L300 HydrophobicContact CD1-CD2 4.05Å; I291-L300 HydrophobicContact CG1-CD2 4.06Å; I291-L300 HydrophobicContact CG2-CD1 3.97Å; I291-L300 HydrophobicContact CG2-CD2 3.42Å; I291-L300 VanDerWaalsContact CG2-CD2 3.42Å; I291-L300 HydrophobicContact CG2-CG 4.37Å; R295-L300 HydrophobicContact CB-CD1 4.25Å; R295-L300 HydrophobicContact CG-CD1 4.42Å; T296-L300 PolarHBondContact O-N 2.75Å; L300-P302 CarbonylContact O-C 3.58Å; L300-P302 VanDerWaalsContact O-C 3.29Å; L300-P302 VanDerWaalsContact O-O 3.11Å; L300-I303 HydrophobicContact CD2-CD1 4.34Å; L300-I303 HydrophobicContact CD2-CG1 3.71Å; L300-I303 HydrophobicContact CG-CG1 4.38Å; L300-L354 HydrophobicContact CD2-CB 4.06Å; L300-L354 HydrophobicContact CD2-CD2 3.77Å; L300-L354 HydrophobicContact CD2-CG 4.42Å
301N89.6Confident88.9Confident59 Ų5961.8 Ų61.832%0.31633%0.327SS..PPolyproline II helixtrans-77138.3-169.2-77.2-33.4000113.5P297 T353 L354P297-N301 WeakPolarHBondContact O-CB 3.49Å; P297-N301 VanDerWaalsContact O-CG 3.24Å; P297-N301 PolarHBondContact O-N 2.91Å; P297-N301 PolarHBondContact O-ND2 2.87Å; N301-T353 VanDerWaalsContact OD1-CA 3.26Å; N301-T353 WeakPolarHBondContact OD1-CA 3.37Å; N301-L354 PolarHBondContact ND2-O 3.03Å; N301-L354 PolarHBondContact OD1-N 3.31Å
302P90.5Very high88.7Confident80 Ų8065.3 Ų65.352%0.51935%0.346SS..SBendcis-80149.4-432-34.3000113.2L300 L304L300-P302 CarbonylContact O-C 3.58Å; L300-P302 VanDerWaalsContact O-C 3.29Å; L300-P302 VanDerWaalsContact O-O 3.11Å; P302-L304 PolarHBondContact O-N 2.77Å
303I91Very high88.7Confident12 Ų1264.5 Ų64.56%0.06234%0.34CS..BIsolated β-bridgetrans-67.3123.6178.1-62.6161.6000109.6A289 I291 L300 V305 F343 L352 L354A289-I303 HydrophobicContact CB-CG2 3.88Å; I291-I303 HydrophobicContact CD1-CD1 3.68Å; I291-I303 HydrophobicContact CD1-CG1 4.03Å; I291-I303 HydrophobicContact CD1-CG2 3.97Å; I291-I303 HydrophobicContact CG1-CG2 4.14Å; L300-I303 HydrophobicContact CD2-CD1 4.34Å; L300-I303 HydrophobicContact CD2-CG1 3.71Å; L300-I303 HydrophobicContact CG-CG1 4.38Å; I303-V305 PolarHBondContact O-N 3.36Å; I303-F343 HydrophobicContact CD1-CD1 3.73Å; I303-F343 HydrophobicContact CD1-CE1 3.73Å; I303-L352 HydrophobicContact CB-CB 4.26Å; I303-L352 HydrophobicContact CB-CD2 4.15Å; I303-L352 HydrophobicContact CB-CG 4.37Å; I303-L352 WeakPolarHBondContact CB-O 3.11Å; I303-L352 HydrophobicContact CD1-CD2 3.9Å; I303-L352 HydrophobicContact CD1-CG 3.9Å; I303-L352 HydrophobicContact CG2-CD2 4.04Å; I303-L352 PolarHBondContact N-O 3.24Å; I303-L354 HydrophobicContact CD1-CB 4.01Å; I303-L354 HydrophobicContact CG1-CB 4.46Å
304L91.2Very high88.5Confident145 Ų14567.3 Ų67.376%0.75935%0.353SS*.  trans-74.9108.2177.7-171.968.8000110.9P302P302-L304 PolarHBondContact O-N 2.77Å
305V91.7Very high88.6Confident12 Ų1263.1 Ų63.17%0.07333%0.331CS..  trans-96135.3174.7-174.90000110.1Y287 A289 I303 P307 I309 L352 L386Y287-V305 HydrophobicContact CD1-CG1 4.22Å; Y287-V305 HydrophobicContact CG-CG1 4.37Å; A289-V305 HydrophobicContact CB-CG2 4.35Å; I303-V305 PolarHBondContact O-N 3.36Å; V305-P307 CarbonylContact C-O 3.57Å; V305-P307 CarbonylContact O-C 3.49Å; V305-P307 VanDerWaalsContact O-C 3.29Å; V305-I309 HydrophobicContact CB-CD1 4.36Å; V305-I309 HydrophobicContact CB-CG1 4.29Å; V305-I309 HydrophobicContact CG1-CD1 4.04Å; V305-I309 HydrophobicContact CG1-CG1 3.85Å; V305-I309 HydrophobicContact CG2-CD1 4.2Å; V305-L352 HydrophobicContact CG2-CB 4.16Å; V305-L352 HydrophobicContact CG2-CD2 4.04Å; V305-L386 HydrophobicContact CG1-CD1 3.68Å; V305-L386 HydrophobicContact CG2-CD1 4.33Å
306T87.5Confident88.5Confident79 Ų7965 Ų6549%0.48534%0.338SS..BIsolated β-bridgetrans-119.4128.2178.753.50000111.6Q288Q288-T306 PolarHBondContact N-O 3.14Å; Q288-T306 PolarHBondContact O-N 3.04Å; Q288-T306 PolarHBondContact O-OG1 3.13Å; Q288-T306 VanDerWaalsContact O-OG1 3.13Å
307P89.1Confident88.4Confident38 Ų3866 Ų6625%0.24734%0.342CS..SBendcis-60.7166.4-1727.9-32.7000111.9P272 Y287 V305 I309P272-P307 HydrophobicContact CG-CB 3.85Å; P272-P307 HydrophobicContact CG-CG 3.72Å; Y287-P307 HydrophobicContact CD1-CG 3.92Å; Y287-P307 WeakPolarHBondContact CD1-O 2.95Å; Y287-P307 HydrophobicContact CE1-CG 3.83Å; Y287-P307 WeakPolarHBondContact CE1-O 3.17Å; V305-P307 CarbonylContact C-O 3.57Å; V305-P307 CarbonylContact O-C 3.49Å; V305-P307 VanDerWaalsContact O-C 3.29Å; P307-I309 PolarHBondContact O-N 3.16Å
308P90.2Very high88.2Confident80 Ų8065 Ų6552%0.51933%0.334SS..  trans-59.7136.3176.123.6-33.4000111Q310P308-Q310 PolarHBondContact O-N 3.43Å
309I91.3Very high87.8Confident14 Ų1460.8 Ų60.87%0.07232%0.315CS..  trans-72112.5-179.9-57.7170.3000108.6F270 Y287 V305 P307 Y329 M345 A350 I370 L386F270-I309 HydrophobicContact CD1-CG2 4.37Å; F270-I309 HydrophobicContact CE1-CG2 3.92Å; Y287-I309 HydrophobicContact CD1-CG1 3.89Å; Y287-I309 HydrophobicContact CD2-CG1 4.44Å; Y287-I309 HydrophobicContact CE1-CB 4.43Å; Y287-I309 HydrophobicContact CE1-CG1 4.07Å; Y287-I309 HydrophobicContact CG-CG1 4.07Å; V305-I309 HydrophobicContact CB-CD1 4.36Å; V305-I309 HydrophobicContact CB-CG1 4.29Å; V305-I309 HydrophobicContact CG1-CD1 4.04Å; V305-I309 HydrophobicContact CG1-CG1 3.85Å; V305-I309 HydrophobicContact CG2-CD1 4.2Å; P307-I309 PolarHBondContact O-N 3.16Å; I309-Y329 HydrophobicContact CG2-CD1 4.41Å; I309-Y329 HydrophobicContact CG2-CE1 4.42Å; I309-M345 HydrophobicContact CD1-SD 4.44Å; I309-A350 HydrophobicContact CB-CB 3.91Å; I309-A350 HydrophobicContact CG2-CB 3.65Å; I309-I370 HydrophobicContact CD1-CD1 3.97Å; I309-I370 HydrophobicContact CG1-CD1 4.21Å; I309-I370 HydrophobicContact CG2-CD1 3.69Å; I309-L386 HydrophobicContact CD1-CD2 4.39Å
310Q90.1Very high87.8Confident108 Ų10857.9 Ų57.951%0.50531%0.307SS..EExtended strand (participates in β ladder)trans-141.7141.6175.6-65.4-175.8-10.100108.9F270 L271 P308F270-Q310 CarbonylContact C-O 3.52Å; F270-Q310 WeakPolarHBondContact CA-O 2.91Å; L271-Q310 PolarHBondContact N-O 2.84Å; P308-Q310 PolarHBondContact O-N 3.43Å
311A90.2Very high87.4Confident9 Ų960.7 Ų60.77%0.07433%0.326CS..EExtended strand (participates in β ladder)trans-127.9150.4167.600000109.5M269 F270 I327 Y329 A372M269-A311 CarbonylContact O-C 3.52Å; M269-A311 WeakPolarHBondContact O-CA 3.49Å; F270-A311 HydrophobicContact CD1-CB 4Å; F270-A311 HydrophobicContact CE1-CB 4.28Å; F270-A311 HydrophobicContact CG-CB 4.43Å; A311-I327 HydrophobicContact CB-CD1 4.25Å; A311-I327 HydrophobicContact CB-CG2 4.22Å; A311-I327 VanDerWaalsContact O-CD1 3.22Å; A311-I327 WeakPolarHBondContact O-CD1 3.2Å; A311-Y329 HydrophobicContact CB-CE1 3.75Å; A311-Y329 PolarHBondContact N-OH 2.87Å; A311-Y329 PolarHBondContact O-OH 3.2Å; A311-A372 HydrophobicContact CB-CB 3.91Å
312I88.3Confident87.1Confident78 Ų7862.5 Ų62.540%0.434%0.344SS..EExtended strand (participates in β ladder)trans-125.8147.3174.958.7163.9000109.7P268 M269 L271P268-I312 CarbonylContact C-O 3.53Å; P268-I312 VanDerWaalsContact CA-O 3.28Å; P268-I312 WeakPolarHBondContact CA-O 3.25Å; M269-I312 HydrophobicContact CE-CD1 4.44Å; M269-I312 PolarHBondContact N-O 2.76Å; M269-I312 PolarHBondContact O-N 2.85Å; L271-I312 HydrophobicContact CD1-CB 4.41Å; L271-I312 HydrophobicContact CD1-CD1 3.88Å; L271-I312 HydrophobicContact CD1-CG1 3.83Å; L271-I312 HydrophobicContact CD1-CG2 3.75Å; L271-I312 HydrophobicContact CG-CD1 4.47Å; L271-I312 HydrophobicContact CG-CG1 4.16Å
313D87.3Confident86.6Confident8 Ų863.5 Ų63.54%0.04335%0.345CS..EExtended strand (participates in β ladder)trans-67.3130.9168.5166.527.1000108.8D315 R324 Q374D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact OD1-N 2.72Å; D313-D315 VanDerWaalsContact OD1-N 3.11Å; D313-R324 PolarHBondContact O-NH2 3.14Å; D313-R324 WeakPolarHBondContact OD2-CG 3.16Å; D313-R324 IonicContact OD2-CZ 3.29Å; D313-R324 IonicContact OD2-NE 2.86Å; D313-R324 PolarHBondContact OD2-NE 2.97Å; D313-R324 IonicContact OD2-NH2 2.66Å; D313-Q374 PolarHBondContact OD1-NE2 2.76Å
314Q84.5Confident86.3Confident68 Ų6868.5 Ų68.532%0.31836%0.363SS..SBendtrans-77.7-18-175.3-71-176-81.900112.9L266 G267 M269L266-Q314 HydrophobicContact CB-CB 3.66Å; L266-Q314 HydrophobicContact CD1-CB 3.92Å; L266-Q314 HydrophobicContact CG-CB 4.44Å; G267-Q314 VanDerWaalsContact O-CB 3.31Å; G267-Q314 WeakPolarHBondContact O-CB 3.44Å; G267-Q314 WeakPolarHBondContact O-CG 3.37Å; G267-Q314 PolarHBondContact O-N 2.77Å; G267-Q314 PolarHBondContact O-OE1 3.48Å; G267-Q314 VanDerWaalsContact O-OE1 3.08Å; M269-Q314 HydrophobicContact CB-CG 3.67Å
315D88.5Confident86.1Confident1 Ų162.2 Ų62.21%0.00533%0.331CS..  trans-67.5139.5175.3-57.1-40.9000110.4D264 L266 D313 I318 R324D264-D315 WeakPolarHBondContact CA-OD2 3.31Å; L266-D315 VanDerWaalsContact CB-OD1 3.22Å; L266-D315 WeakPolarHBondContact CB-OD1 3.36Å; L266-D315 WeakPolarHBondContact CG-OD1 3.47Å; L266-D315 PolarHBondContact N-OD1 2.7Å; L266-D315 VanDerWaalsContact N-OD1 3.16Å; D313-D315 VanDerWaalsContact C-N 3.32Å; D313-D315 PolarHBondContact OD1-N 2.72Å; D313-D315 VanDerWaalsContact OD1-N 3.11Å; D315-I318 HydrophobicContact CB-CD1 3.73Å; D315-I318 HydrophobicContact CB-CG1 3.91Å; D315-R324 PolarHBondContact O-NH2 3.23Å
316R84.2Confident86Confident147 Ų14762.9 Ų62.956%0.55534%0.34SS*.SBendtrans-87.4-38.8-164.6-72.6-175.4178.6160.99.7113.1Y227 E228 D262Y227-R316 HydrophobicContact CD1-CB 4.39Å; Y227-R316 HydrophobicContact CE1-CB 4.01Å; E228-R316 PolarHBondContact O-NH1 3.16Å; E228-R316 PolarHBondContact O-NH2 2.92Å; D262-R316 WeakPolarHBondContact OD2-CA 3.37Å; D262-R316 PolarHBondContact OD2-N 2.74Å
317N84.2Confident86.1Confident72 Ų7260.5 Ų60.539%0.38532%0.324SS..  trans-162.355.4-166-171.334.8000113.2Y227 D262 Q319Y227-N317 HydrophobicContact CE1-CB 4.12Å; Y227-N317 PolarHBondContact OH-ND2 3.01Å; D262-N317 WeakPolarHBondContact CB-O 3.48Å; D262-N317 PolarHBondContact OD2-N 2.81Å; N317-Q319 PolarHBondContact O-N 3.02Å; N317-Q319 PolarHBondContact OD1-NE2 2.76Å
318I84.7Confident86.3Confident14 Ų1461 Ų617%0.07233%0.325CS..BIsolated β-bridgetrans-57.5127.6168.7-62.1172.5000109.6D264 D315 D323D264-I318 HydrophobicContact CB-CD1 4.05Å; D315-I318 HydrophobicContact CB-CD1 3.73Å; D315-I318 HydrophobicContact CB-CG1 3.91Å; I318-D323 HydrophobicContact CG2-CB 4Å
319Q78.1Confident86.6Confident96 Ų9658.2 Ų58.245%0.44930%0.304SS..SBendtrans-127.3134.8-178.9-69.5-64.9-37.100111.2N317 P321N317-Q319 PolarHBondContact O-N 3.02Å; N317-Q319 PolarHBondContact OD1-NE2 2.76Å; Q319-P321 VanDerWaalsContact OE1-CD 3.3Å
320P84.7Confident86.7Confident62 Ų6259.4 Ų59.440%0.40331%0.314SS..SBendcis-67.9159-0.929.3-36000113S322 D323P320-S322 WeakPolarHBondContact CG-OG 3.37Å; P320-S322 PolarHBondContact O-N 3.14Å; P320-D323 WeakPolarHBondContact CD-OD2 3.23Å; P320-D323 WeakPolarHBondContact O-CB 3.31Å; P320-D323 PolarHBondContact O-N 2.89Å
321P78.8Confident86.9Confident92 Ų9255.6 Ų55.660%0.59730%0.297SS*.G310 helixtrans-61.6-17.1-176.7-22.134.6000114.3Q319 D323 R324Q319-P321 VanDerWaalsContact OE1-CD 3.3Å; P321-D323 PolarHBondContact O-N 3.43Å; P321-R324 PolarHBondContact O-N 3.14Å
322S82Confident87Confident97 Ų9759.2 Ų59.268%0.67831%0.314SS*.G310 helixtrans-67.2-22173.853.10000113.8P320 R324P320-S322 WeakPolarHBondContact CG-OG 3.37Å; P320-S322 PolarHBondContact O-N 3.14Å; S322-R324 VanDerWaalsContact C-N 3.29Å
323D81.3Confident87.3Confident101 Ų10159.4 Ų59.454%0.5432%0.319SS..G310 helixtrans-88.7-4.9-177.2-65.38000111.3I318 P320 P321 P325I318-D323 HydrophobicContact CG2-CB 4Å; P320-D323 WeakPolarHBondContact CD-OD2 3.23Å; P320-D323 WeakPolarHBondContact O-CB 3.31Å; P320-D323 PolarHBondContact O-N 2.89Å; P321-D323 PolarHBondContact O-N 3.43Å; D323-P325 WeakPolarHBondContact O-CD 2.99Å
324R85Confident87.5Confident117 Ų11759.5 Ų59.544%0.44232%0.322SS..SBendtrans-70.4118.2175.7-167.9176.3-163.9177.87.2109.8D313 D315 P321 S322D313-R324 PolarHBondContact O-NH2 3.14Å; D313-R324 WeakPolarHBondContact OD2-CG 3.16Å; D313-R324 IonicContact OD2-CZ 3.29Å; D313-R324 IonicContact OD2-NE 2.86Å; D313-R324 PolarHBondContact OD2-NE 2.97Å; D313-R324 IonicContact OD2-NH2 2.66Å; D315-R324 PolarHBondContact O-NH2 3.23Å; P321-R324 PolarHBondContact O-N 3.14Å; S322-R324 VanDerWaalsContact C-N 3.29Å
325P85.7Confident87.7Confident13 Ų1360.3 Ų60.38%0.08433%0.331CS..PPolyproline II helixtrans-66.9145.2-177.326-32.5000111.9D323 Q374 D375 N376D323-P325 WeakPolarHBondContact O-CD 2.99Å; P325-Q374 HydrophobicContact CB-CB 3.92Å; P325-Q374 HydrophobicContact CB-CG 4.03Å; P325-Q374 HydrophobicContact CG-CB 4.15Å; P325-Q374 HydrophobicContact CG-CG 3.79Å; P325-D375 WeakPolarHBondContact CA-OD1 3.43Å; P325-D375 WeakPolarHBondContact CB-OD1 3.36Å; P325-N376 HydrophobicContact CB-CB 4.3Å
326G89.2Confident87.9Confident27 Ų2762 Ų6228%0.27834%0.343SS..PPolyproline II helixtrans-76.1161.4169.900000111.3Q374 D375G326-Q374 CarbonylContact O-C 3.58Å; G326-Q374 VanDerWaalsContact O-CA 3.31Å; G326-Q374 WeakPolarHBondContact O-CA 3.36Å; G326-D375 WeakPolarHBondContact CA-OD2 3.46Å; G326-D375 PolarHBondContact N-OD1 3.28Å; G326-D375 PolarHBondContact N-OD2 2.93Å; G326-D375 PolarHBondContact O-N 2.91Å
327I91.5Very high88.1Confident28 Ų2863.6 Ų63.614%0.14436%0.356CS..EExtended strand (participates in β ladder)trans-106.2130.5177.6-59169.5000109.6P268 A311 Y329 A372 E373P268-I327 HydrophobicContact CB-CD1 4.15Å; P268-I327 HydrophobicContact CB-CG1 4.34Å; P268-I327 HydrophobicContact CB-CG2 4.46Å; A311-I327 HydrophobicContact CB-CD1 4.25Å; A311-I327 HydrophobicContact CB-CG2 4.22Å; A311-I327 VanDerWaalsContact O-CD1 3.22Å; A311-I327 WeakPolarHBondContact O-CD1 3.2Å; I327-Y329 HydrophobicContact CB-CE2 4.47Å; I327-Y329 HydrophobicContact CG2-CE1 4.15Å; I327-Y329 HydrophobicContact CG2-CE2 4.05Å; I327-A372 HydrophobicContact CG2-CB 3.98Å; I327-E373 WeakPolarHBondContact CA-O 3.36Å
328L93.3Very high88.4Confident50 Ų5062.5 Ų62.526%0.26235%0.35SS..EExtended strand (participates in β ladder)trans-107.2131.2175.1-63.5174.8000110.4P347 R348 A372 E373 D375L328-P347 CarbonylContact C-O 3.45Å; L328-P347 VanDerWaalsContact CA-O 3.28Å; L328-P347 WeakPolarHBondContact CA-O 3.1Å; L328-R348 HydrophobicContact CD2-CG 4.36Å; L328-A372 WeakPolarHBondContact O-CA 3.29Å; L328-E373 HydrophobicContact CB-CG 4.13Å; L328-E373 PolarHBondContact N-O 3.14Å; L328-E373 PolarHBondContact O-N 3.15Å; L328-D375 HydrophobicContact CD1-CB 3.89Å; L328-D375 HydrophobicContact CG-CB 4.03Å
329Y94.7Very high88.8Confident20 Ų2063.4 Ų63.48%0.07835%0.353CS..EExtended strand (participates in β ladder)trans-104.8139177.9-56.8-88.8000110.2F270 I309 A311 I327 P347 A350 K371 A372F270-Y329 HydrophobicContact CE1-CD1 4.19Å; F270-Y329 HydrophobicContact CE1-CE1 4.09Å; I309-Y329 HydrophobicContact CG2-CD1 4.41Å; I309-Y329 HydrophobicContact CG2-CE1 4.42Å; A311-Y329 HydrophobicContact CB-CE1 3.75Å; A311-Y329 PolarHBondContact N-OH 2.87Å; A311-Y329 PolarHBondContact O-OH 3.2Å; I327-Y329 HydrophobicContact CB-CE2 4.47Å; I327-Y329 HydrophobicContact CG2-CE1 4.15Å; I327-Y329 HydrophobicContact CG2-CE2 4.05Å; Y329-P347 PolarHBondContact N-O 2.82Å; Y329-P347 WeakPolarHBondContact O-CA 3.16Å; Y329-A350 HydrophobicContact CD1-CB 3.78Å; Y329-A350 HydrophobicContact CD2-CB 3.81Å; Y329-A350 HydrophobicContact CE1-CB 4.05Å; Y329-A350 HydrophobicContact CE2-CB 4.09Å; Y329-A350 HydrophobicContact CG-CB 3.64Å; Y329-K371 WeakPolarHBondContact CA-O 3.01Å; Y329-A372 HydrophobicContact CD1-CB 4.22Å; Y329-A372 HydrophobicContact CE1-CB 4.25Å
330S94.4Very high89.5Confident39 Ų3962.1 Ų62.127%0.27335%0.353SS..EExtended strand (participates in β ladder)trans-148.5153.5172.254.80000111.7M345 I370 K371S330-M345 WeakPolarHBondContact O-CE 3.28Å; S330-I370 CarbonylContact O-C 3.54Å; S330-I370 WeakPolarHBondContact O-CA 3.42Å; S330-K371 PolarHBondContact N-O 2.84Å; S330-K371 PolarHBondContact O-N 3.34Å
331I94.8Very high89.9Confident29 Ų2965.7 Ų65.715%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-84.7116.5168.6-53.4169.3000106.2Y339 F343 M345 L352 L368 I370I331-Y339 HydrophobicContact CB-CE2 3.95Å; I331-Y339 HydrophobicContact CD1-CD2 4.45Å; I331-Y339 HydrophobicContact CD1-CE2 4.17Å; I331-Y339 HydrophobicContact CG2-CD2 4.15Å; I331-Y339 HydrophobicContact CG2-CE2 3.39Å; I331-F343 HydrophobicContact CD1-CB 4.41Å; I331-M345 HydrophobicContact CD1-CB 4.06Å; I331-M345 HydrophobicContact CG1-CB 3.92Å; I331-M345 HydrophobicContact CG1-CE 3.98Å; I331-L352 HydrophobicContact CD1-CD1 4.33Å; I331-L368 HydrophobicContact CD1-CD1 4.26Å; I331-L368 HydrophobicContact CG2-CB 4.26Å; I331-I370 HydrophobicContact CG1-CG2 4.41Å
332L92.3Very high90.6Very high85 Ų8562 Ų6245%0.44533%0.333SS..EExtended strand (participates in β ladder)trans-76.5-52.5-176.9179.868.9000110.8V369 K371 F383L332-V369 WeakPolarHBondContact CB-O 3.43Å; L332-V369 HydrophobicContact CD2-CG1 4.41Å; L332-V369 PolarHBondContact N-O 3.31Å; L332-K371 HydrophobicContact CB-CB 4.37Å; L332-K371 HydrophobicContact CD1-CD 4.48Å; L332-F383 HydrophobicContact CD2-CD1 4.02Å; L332-F383 HydrophobicContact CD2-CE1 3.78Å
333V93Very high91.3Very high81 Ų8157.7 Ų57.749%0.49130%0.302SS..EExtended strand (participates in β ladder)trans-154.4159.1-178.3-71.80000109.2V369V333-V369 HydrophobicContact CG2-CB 3.88Å; V333-V369 HydrophobicContact CG2-CG2 3.97Å; V333-V369 PolarHBondContact O-N 3.29Å
334G92.6Very high91.9Very high11 Ų1157.3 Ų57.311%0.11330%0.297CS..EExtended strand (participates in β ladder)trans-157157.517700000111.9P336 Y339 D367G334-P336 CarbonylContact C-O 3.53Å; G334-Y339 VanDerWaalsContact N-CE1 3.31Å; G334-D367 CarbonylContact C-O 3.59Å; G334-D367 VanDerWaalsContact CA-O 3.26Å; G334-D367 WeakPolarHBondContact CA-O 3.31Å
335T89.6Confident92.3Very high84 Ų8452.2 Ų52.252%0.51528%0.279SS..EExtended strand (participates in β ladder)trans-119.7132.3169.555.80000109.7F366 D367T335-F366 WeakPolarHBondContact O-CA 3.32Å; T335-D367 PolarHBondContact N-O 2.93Å; T335-D367 PolarHBondContact O-N 3.16Å; T335-D367 WeakPolarHBondContact OG1-CB 3.06Å
336P91.9Very high92.7Very high38 Ų3855.2 Ų55.225%0.24729%0.291CS..SBendcis-66.7165.1-2.732.1-41000114.1G334 D338 Y339 F366G334-P336 CarbonylContact C-O 3.53Å; P336-D338 VanDerWaalsContact CB-OD1 3.25Å; P336-D338 WeakPolarHBondContact CB-OD1 3.34Å; P336-D338 WeakPolarHBondContact CG-OD1 3.38Å; P336-D338 PolarHBondContact O-N 2.96Å; P336-Y339 WeakPolarHBondContact O-CD1 3.2Å; P336-Y339 PolarHBondContact O-N 3.44Å; P336-F366 HydrophobicContact CG-CD1 3.96Å; P336-F366 HydrophobicContact CG-CE1 3.63Å; P336-F366 HydrophobicContact CG-CZ 4.4Å
337E87.3Confident92.9Very high180 Ų18056.6 Ų56.684%0.84130%0.295SS*.THydrogen-bonded Turntrans-64.9-21-174.8-69.8-16916600113.8Y339 P340E337-Y339 VanDerWaalsContact C-N 3.3Å; E337-P340 VanDerWaalsContact O-CD 3.29Å; E337-P340 WeakPolarHBondContact O-CD 3.46Å
338D91.9Very high92.9Very high48 Ų4863.3 Ų63.326%0.25732%0.319SS..THydrogen-bonded Turntrans-88.49.218068.3-31.6000113.7P336 P340 R341 H363P336-D338 VanDerWaalsContact CB-OD1 3.25Å; P336-D338 WeakPolarHBondContact CB-OD1 3.34Å; P336-D338 WeakPolarHBondContact CG-OD1 3.38Å; P336-D338 PolarHBondContact O-N 2.96Å; D338-P340 WeakPolarHBondContact O-CD 3.11Å; D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 3.47Å; D338-H363 IonicContact OD1-NE2 3.33Å; D338-H363 IonicContact OD2-CE1 4Å; D338-H363 PolarHBondContact OD2-CE1 2.78Å; D338-H363 VanDerWaalsContact OD2-CE1 3.28Å; D338-H363 IonicContact OD2-NE2 2.6Å
339Y93.3Very high92.8Very high33 Ų3364.2 Ų64.213%0.12933%0.326CS..G310 helixtrans-45.9-33.6170.783.4-92.9000115.4I331 G334 P336 E337 R341 F342 F343 L368I331-Y339 HydrophobicContact CB-CE2 3.95Å; I331-Y339 HydrophobicContact CD1-CD2 4.45Å; I331-Y339 HydrophobicContact CD1-CE2 4.17Å; I331-Y339 HydrophobicContact CG2-CD2 4.15Å; I331-Y339 HydrophobicContact CG2-CE2 3.39Å; G334-Y339 VanDerWaalsContact N-CE1 3.31Å; P336-Y339 WeakPolarHBondContact O-CD1 3.2Å; P336-Y339 PolarHBondContact O-N 3.44Å; E337-Y339 VanDerWaalsContact C-N 3.3Å; Y339-R341 PolarHBondContact O-N 2.75Å; Y339-R341 VanDerWaalsContact O-N 3.13Å; Y339-F342 PolarHBondContact O-N 3.45Å; Y339-F343 PolarHBondContact O-N 3.14Å; Y339-L368 HydrophobicContact CD1-CD2 4.27Å; Y339-L368 HydrophobicContact CD2-CD2 3.85Å; Y339-L368 HydrophobicContact CG-CD2 3.68Å
340P93.1Very high92.6Very high70 Ų7063.5 Ų63.546%0.45533%0.325SS..G310 helixtrans-65.7-15.7-179.7-20.434.2000113.5E337 D338 F342E337-P340 VanDerWaalsContact O-CD 3.29Å; E337-P340 WeakPolarHBondContact O-CD 3.46Å; D338-P340 WeakPolarHBondContact O-CD 3.11Å; P340-F342 VanDerWaalsContact C-N 3.33Å
341R92.4Very high92.5Very high136 Ų13666.4 Ų66.451%0.51333%0.334SS..G310 helixtrans-72.9-28.8171.9-66.7-175.260.4-167.7-9.6112.5D338 Y339 L355 E356D338-R341 WeakPolarHBondContact O-CB 3.45Å; D338-R341 PolarHBondContact O-N 3.47Å; Y339-R341 PolarHBondContact O-N 2.75Å; Y339-R341 VanDerWaalsContact O-N 3.13Å; R341-L355 WeakPolarHBondContact O-CB 3.49Å; R341-E356 IonicContact CZ-OE2 2.72Å; R341-E356 IonicContact NE-OE2 2.64Å; R341-E356 IonicContact NH2-OE1 2.7Å; R341-E356 IonicContact NH2-OE2 3.76Å; R341-E356 PolarHBondContact NH2-OE2 2.72Å
342F94.1Very high92.5Very high15 Ų1565.1 Ų65.17%0.06633%0.327CS..THydrogen-bonded Turntrans-103.3-38.2-172.5-59.1-72.2000112.2Y339 P340 L354 L355 E356 V358 H363 F366Y339-F342 PolarHBondContact O-N 3.45Å; P340-F342 VanDerWaalsContact C-N 3.33Å; F342-L354 CarbonylContact O-C 3.58Å; F342-L354 VanDerWaalsContact O-CA 3.32Å; F342-L354 WeakPolarHBondContact O-CA 3.21Å; F342-L355 PolarHBondContact O-N 3.36Å; F342-E356 HydrophobicContact CD1-CB 4.06Å; F342-E356 HydrophobicContact CE1-CB 4.3Å; F342-V358 HydrophobicContact CB-CG2 4.3Å; F342-V358 HydrophobicContact CD1-CG2 3.79Å; F342-V358 HydrophobicContact CE1-CG2 4.42Å; F342-V358 HydrophobicContact CG-CG2 4.18Å; F342-H363 AromaticContact CE2-CE1 3.72Å; F342-H363 AromaticContact CE2-ND1 3.74Å; F342-H363 AromaticContact CZ-CE1 3.89Å; F342-H363 AromaticContact CZ-ND1 3.75Å; F342-F366 AromaticContact CD2-CE1 3.74Å; F342-F366 HydrophobicContact CD2-CE1 3.74Å; F342-F366 AromaticContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CE2-CE1 4.31Å; F342-F366 HydrophobicContact CE2-CZ 4.09Å; F342-F366 HydrophobicContact CG-CE1 4.48Å; F342-F366 HydrophobicContact CG-CZ 4.15Å
343F95.3Very high92.6Very high6 Ų662.7 Ų62.73%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-122.4132.8-170.9-57.5-72.9000112.9I291 I303 I331 Y339 L352 T353 L354 V358 F366 L368 I388I291-F343 HydrophobicContact CD1-CE1 3.67Å; I291-F343 HydrophobicContact CD1-CZ 4.17Å; I303-F343 HydrophobicContact CD1-CD1 3.73Å; I303-F343 HydrophobicContact CD1-CE1 3.73Å; I331-F343 HydrophobicContact CD1-CB 4.41Å; Y339-F343 PolarHBondContact O-N 3.14Å; F343-L352 HydrophobicContact CB-CD1 4.14Å; F343-L352 HydrophobicContact CD1-CD2 4.34Å; F343-L352 HydrophobicContact CD1-CG 4.38Å; F343-T353 WeakPolarHBondContact CA-O 3.19Å; F343-L354 HydrophobicContact CD1-CD1 4.28Å; F343-L354 HydrophobicContact CE1-CD1 3.78Å; F343-L354 HydrophobicContact CZ-CD1 4.27Å; F343-V358 HydrophobicContact CZ-CG2 4.35Å; F343-F366 HydrophobicContact CD2-CD1 4.15Å; F343-F366 HydrophobicContact CD2-CE1 4.46Å; F343-F366 HydrophobicContact CD2-CG 4.24Å; F343-F366 HydrophobicContact CE2-CB 4.11Å; F343-F366 AromaticContact CE2-CD1 3.66Å; F343-F366 HydrophobicContact CE2-CD1 3.66Å; F343-F366 AromaticContact CE2-CD2 3.46Å; F343-F366 HydrophobicContact CE2-CD2 3.46Å; F343-F366 VanDerWaalsContact CE2-CD2 3.46Å; F343-F366 AromaticContact CE2-CE1 3.88Å; F343-F366 HydrophobicContact CE2-CE1 3.88Å; F343-F366 AromaticContact CE2-CE2 3.69Å; F343-F366 HydrophobicContact CE2-CE2 3.69Å; F343-F366 AromaticContact CE2-CG 3.45Å; F343-F366 HydrophobicContact CE2-CG 3.45Å; F343-F366 VanDerWaalsContact CE2-CG 3.45Å; F343-F366 AromaticContact CE2-CZ 3.9Å; F343-F366 HydrophobicContact CE2-CZ 3.9Å; F343-F366 AromaticContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CE2 4.1Å; F343-F366 HydrophobicContact CZ-CG 4.26Å; F343-L368 HydrophobicContact CD2-CD1 4.45Å; F343-I388 HydrophobicContact CD1-CD1 3.91Å; F343-I388 HydrophobicContact CD2-CD1 4.18Å; F343-I388 HydrophobicContact CE1-CD1 3.73Å; F343-I388 HydrophobicContact CE1-CG2 4.37Å; F343-I388 HydrophobicContact CE2-CD1 4.02Å; F343-I388 HydrophobicContact CG-CD1 4.13Å; F343-I388 HydrophobicContact CZ-CD1 3.79Å; F343-I388 HydrophobicContact CZ-CG2 4.1Å
344H94.2Very high92.7Very high93 Ų9359 Ų5943%0.43129%0.294SS..EExtended strand (participates in β ladder)trans-125.4132.9169.4174-93.2000109.9T353 L355H344-T353 PolarHBondContact N-O 3.29Å; H344-T353 PolarHBondContact O-N 2.85Å; H344-T353 PolarHBondContact O-OG1 2.96Å; H344-L355 HydrophobicContact CB-CD1 4.1Å; H344-L355 HydrophobicContact CB-CD2 4.1Å; H344-L355 HydrophobicContact CB-CG 4.17Å
345M94.6Very high92.7Very high11 Ų1162.8 Ų62.85%0.05431%0.311CS..EExtended strand (participates in β ladder)trans-108.2125.3176-174.8169.75900110.1I309 S330 I331 A350 E351 L352 I370I309-M345 HydrophobicContact CD1-SD 4.44Å; S330-M345 WeakPolarHBondContact O-CE 3.28Å; I331-M345 HydrophobicContact CD1-CB 4.06Å; I331-M345 HydrophobicContact CG1-CB 3.92Å; I331-M345 HydrophobicContact CG1-CE 3.98Å; M345-A350 HydrophobicContact SD-CB 4.37Å; M345-E351 WeakPolarHBondContact CA-O 3.27Å; M345-L352 HydrophobicContact CB-CD1 4.39Å; M345-I370 HydrophobicContact CE-CB 4.11Å; M345-I370 HydrophobicContact CE-CG2 3.87Å; M345-I370 HydrophobicContact SD-CG2 4.04Å
346H94.1Very high92.7Very high76 Ų7662.7 Ų62.735%0.35231%0.305SS..  trans-68.8130.8-179.6-175.9-91.9000111.1R348 T349 A350 E351H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact ND1-N 3.06Å; H346-R348 PolarHBondContact O-N 3.2Å; H346-R348 VanDerWaalsContact O-N 3.14Å; H346-T349 WeakPolarHBondContact CB-OG1 3.49Å; H346-T349 VanDerWaalsContact CG-OG1 3.29Å; H346-T349 PolarHBondContact ND1-N 2.82Å; H346-T349 PolarHBondContact ND1-OG1 2.92Å; H346-A350 WeakPolarHBondContact O-CA 3.1Å; H346-A350 PolarHBondContact O-N 3.14Å; H346-E351 HydrophobicContact CB-CB 4.34Å; H346-E351 PolarHBondContact N-O 2.78Å
347P93.4Very high92.7Very high56 Ų5663.7 Ų63.736%0.36431%0.311SS..THydrogen-bonded Turntrans-68.5-19.6-165.324.5-35000114.9L328 Y329L328-P347 CarbonylContact C-O 3.45Å; L328-P347 VanDerWaalsContact CA-O 3.28Å; L328-P347 WeakPolarHBondContact CA-O 3.1Å; Y329-P347 PolarHBondContact N-O 2.82Å; Y329-P347 WeakPolarHBondContact O-CA 3.16Å
348R91.3Very high92.8Very high169 Ų16955.2 Ų55.264%0.63827%0.272SS*.THydrogen-bonded Turntrans-111.2-29.5-179.1-63.9-178.1-172.5-90.60.6114.3L328 H346L328-R348 HydrophobicContact CD2-CG 4.36Å; H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact ND1-N 3.06Å; H346-R348 PolarHBondContact O-N 3.2Å; H346-R348 VanDerWaalsContact O-N 3.14Å
349T90.8Very high92.5Very high68 Ų6855 Ų5542%0.41727%0.271SS..THydrogen-bonded Turntrans-100.2-12-174.956.90000112.4H346 E351H346-T349 WeakPolarHBondContact CB-OG1 3.49Å; H346-T349 VanDerWaalsContact CG-OG1 3.29Å; H346-T349 PolarHBondContact ND1-N 2.82Å; H346-T349 PolarHBondContact ND1-OG1 2.92Å; T349-E351 PolarHBondContact O-N 2.73Å; T349-E351 VanDerWaalsContact O-N 3.14Å; T349-E351 WeakPolarHBondContact OG1-CG 3.21Å; T349-E351 PolarHBondContact OG1-OE2 3.06Å
350A90.9Very high92.1Very high6 Ų656.1 Ų56.15%0.0528%0.275CS..  trans56.717.8-171.300000114.2I309 Y329 M345 H346 L352I309-A350 HydrophobicContact CB-CB 3.91Å; I309-A350 HydrophobicContact CG2-CB 3.65Å; Y329-A350 HydrophobicContact CD1-CB 3.78Å; Y329-A350 HydrophobicContact CD2-CB 3.81Å; Y329-A350 HydrophobicContact CE1-CB 4.05Å; Y329-A350 HydrophobicContact CE2-CB 4.09Å; Y329-A350 HydrophobicContact CG-CB 3.64Å; M345-A350 HydrophobicContact SD-CB 4.37Å; H346-A350 WeakPolarHBondContact O-CA 3.1Å; H346-A350 PolarHBondContact O-N 3.14Å; A350-L352 PolarHBondContact O-N 2.84Å
351E92.1Very high91.5Very high100 Ų10057.3 Ų57.347%0.46728%0.277SS..  trans-68.8124.4176.3-73.5165.9154.800109.7M345 H346 T349M345-E351 WeakPolarHBondContact CA-O 3.27Å; H346-E351 HydrophobicContact CB-CB 4.34Å; H346-E351 PolarHBondContact N-O 2.78Å; T349-E351 PolarHBondContact O-N 2.73Å; T349-E351 VanDerWaalsContact O-N 3.14Å; T349-E351 WeakPolarHBondContact OG1-CG 3.21Å; T349-E351 PolarHBondContact OG1-OE2 3.06Å
352L94.3Very high91Very high1 Ų158.3 Ų58.31%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-89.4128.6176.6-170.673.5000109.1I303 V305 I331 F343 M345 A350 L386 I388I303-L352 HydrophobicContact CB-CB 4.26Å; I303-L352 HydrophobicContact CB-CD2 4.15Å; I303-L352 HydrophobicContact CB-CG 4.37Å; I303-L352 WeakPolarHBondContact CB-O 3.11Å; I303-L352 HydrophobicContact CD1-CD2 3.9Å; I303-L352 HydrophobicContact CD1-CG 3.9Å; I303-L352 HydrophobicContact CG2-CD2 4.04Å; I303-L352 PolarHBondContact N-O 3.24Å; V305-L352 HydrophobicContact CG2-CB 4.16Å; V305-L352 HydrophobicContact CG2-CD2 4.04Å; I331-L352 HydrophobicContact CD1-CD1 4.33Å; F343-L352 HydrophobicContact CB-CD1 4.14Å; F343-L352 HydrophobicContact CD1-CD2 4.34Å; F343-L352 HydrophobicContact CD1-CG 4.38Å; M345-L352 HydrophobicContact CB-CD1 4.39Å; A350-L352 PolarHBondContact O-N 2.84Å; L352-L386 HydrophobicContact CD1-CD2 4.31Å; L352-L386 HydrophobicContact CD2-CD2 3.97Å; L352-I388 HydrophobicContact CD2-CD1 3.79Å
353T94.3Very high90.7Very high35 Ų3559.2 Ų59.222%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-124.2140.1-17950.20000110.7N301 F343 H344N301-T353 VanDerWaalsContact OD1-CA 3.26Å; N301-T353 WeakPolarHBondContact OD1-CA 3.37Å; F343-T353 WeakPolarHBondContact CA-O 3.19Å; H344-T353 PolarHBondContact N-O 3.29Å; H344-T353 PolarHBondContact O-N 2.85Å; H344-T353 PolarHBondContact O-OG1 2.96Å
354L94.4Very high90.3Very high3 Ų364.8 Ų64.82%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-83.6131.7170.5-168.171.6000109.8P297 L300 N301 I303 F342 F343 E356 V358P297-L354 WeakPolarHBondContact CB-O 3.2Å; L300-L354 HydrophobicContact CD2-CB 4.06Å; L300-L354 HydrophobicContact CD2-CD2 3.77Å; L300-L354 HydrophobicContact CD2-CG 4.42Å; N301-L354 PolarHBondContact ND2-O 3.03Å; N301-L354 PolarHBondContact OD1-N 3.31Å; I303-L354 HydrophobicContact CD1-CB 4.01Å; I303-L354 HydrophobicContact CG1-CB 4.46Å; F342-L354 CarbonylContact O-C 3.58Å; F342-L354 VanDerWaalsContact O-CA 3.32Å; F342-L354 WeakPolarHBondContact O-CA 3.21Å; F343-L354 HydrophobicContact CD1-CD1 4.28Å; F343-L354 HydrophobicContact CE1-CD1 3.78Å; F343-L354 HydrophobicContact CZ-CD1 4.27Å; L354-E356 WeakPolarHBondContact CD1-O 3.37Å; L354-E356 WeakPolarHBondContact CG-O 3.45Å; L354-V358 HydrophobicContact CD1-CG2 3.87Å
355L93Very high90.2Very high90 Ų9065.4 Ų65.447%0.47132%0.317SS..SBendtrans-100-43.2178.4-62.9177.1000112.4P297 R341 F342 H344P297-L355 WeakPolarHBondContact CG-O 3.33Å; R341-L355 WeakPolarHBondContact O-CB 3.49Å; F342-L355 PolarHBondContact O-N 3.36Å; H344-L355 HydrophobicContact CB-CD1 4.1Å; H344-L355 HydrophobicContact CB-CD2 4.1Å; H344-L355 HydrophobicContact CB-CG 4.17Å
356E90.5Very high90.2Very high82 Ų8264.9 Ų64.938%0.38332%0.315SS..SBendtrans-128.4142.1179.5-71.4-178.1-172.900109.1R341 F342 L354 V358R341-E356 IonicContact CZ-OE2 2.72Å; R341-E356 IonicContact NE-OE2 2.64Å; R341-E356 IonicContact NH2-OE1 2.7Å; R341-E356 IonicContact NH2-OE2 3.76Å; R341-E356 PolarHBondContact NH2-OE2 2.72Å; F342-E356 HydrophobicContact CD1-CB 4.06Å; F342-E356 HydrophobicContact CE1-CB 4.3Å; L354-E356 WeakPolarHBondContact CD1-O 3.37Å; L354-E356 WeakPolarHBondContact CG-O 3.45Å; E356-V358 PolarHBondContact O-N 2.97Å
357P90.6Very high90.2Very high59 Ų5964 Ų6438%0.38331%0.313SS..PPolyproline II helixtrans-55.6134.9171.7-22.131.8000111.2
358V89.4Confident90.3Very high3 Ų361.5 Ų61.52%0.01830%0.296CS..PPolyproline II helixtrans-93.5126.3177.5-172.30000108.8E293 L294 F342 F343 L354 E356 H363 F366 I390E293-V358 WeakPolarHBondContact CA-O 3.27Å; L294-V358 PolarHBondContact N-O 3.37Å; F342-V358 HydrophobicContact CB-CG2 4.3Å; F342-V358 HydrophobicContact CD1-CG2 3.79Å; F342-V358 HydrophobicContact CE1-CG2 4.42Å; F342-V358 HydrophobicContact CG-CG2 4.18Å; F343-V358 HydrophobicContact CZ-CG2 4.35Å; L354-V358 HydrophobicContact CD1-CG2 3.87Å; E356-V358 PolarHBondContact O-N 2.97Å; V358-H363 HydrophobicContact CG1-CB 3.94Å; V358-F366 HydrophobicContact CG1-CE2 3.87Å; V358-F366 HydrophobicContact CG1-CZ 4.26Å; V358-F366 HydrophobicContact CG2-CE2 4.36Å; V358-I390 HydrophobicContact CB-CD1 4.19Å; V358-I390 HydrophobicContact CG1-CD1 4.01Å; V358-I390 HydrophobicContact CG1-CG1 3.95Å; V358-I390 HydrophobicContact CG1-CG2 4.4Å; V358-I390 HydrophobicContact CG2-CD1 4.35Å
359N86.3Confident90.4Very high44 Ų4455.5 Ų55.524%0.23528%0.278CS..PPolyproline II helixtrans-93.4124.6168.4176.8-31000108.6L294 D361 F362 H363L294-N359 HydrophobicContact CD2-CB 3.85Å; N359-D361 VanDerWaalsContact C-N 3.25Å; N359-D361 PolarHBondContact O-N 3.17Å; N359-D361 WeakPolarHBondContact OD1-CB 3.4Å; N359-D361 PolarHBondContact OD1-N 3.08Å; N359-D361 PolarHBondContact OD1-OD2 2.77Å; N359-F362 HydrophobicContact CB-CD2 3.96Å; N359-F362 HydrophobicContact CB-CE2 4.46Å; N359-F362 PolarHBondContact O-N 2.92Å; N359-H363 PolarHBondContact O-N 3.27Å
360R85.5Confident90.6Very high56 Ų5652.3 Ų52.321%0.21126%0.259CS..THydrogen-bonded Turntrans-65.1-28.1-175.2-173.3178.2167.9-111.71.2112.9E293 F362 H363 Q364 I390 D392 D437E293-R360 HydrophobicContact CB-CB 3.98Å; E293-R360 HydrophobicContact CG-CB 4.38Å; E293-R360 VanDerWaalsContact OE2-CB 3.27Å; E293-R360 WeakPolarHBondContact OE2-CB 3.36Å; E293-R360 PolarHBondContact OE2-N 2.95Å; E293-R360 VanDerWaalsContact OE2-N 3.08Å; R360-F362 PolarHBondContact O-N 3.48Å; R360-F362 VanDerWaalsContact O-N 3.17Å; R360-H363 CarbonylContact O-C 3.48Å; R360-H363 PolarHBondContact O-N 2.98Å; R360-Q364 HydrophobicContact CG-CG 4.37Å; R360-I390 HydrophobicContact CB-CG2 3.86Å; R360-I390 HydrophobicContact CG-CB 4.44Å; R360-I390 HydrophobicContact CG-CG2 4.14Å; R360-D392 VanDerWaalsContact CZ-CB 3.43Å; R360-D392 IonicContact CZ-OD1 3.76Å; R360-D392 IonicContact NE-OD1 2.64Å; R360-D392 VanDerWaalsContact NH1-CB 3.33Å; R360-D392 IonicContact NH1-OD1 2.88Å; R360-D392 PolarHBondContact NH1-OD1 3.21Å; R360-D392 IonicContact NH1-OD2 3.85Å; R360-D392 PolarHBondContact NH1-OD2 2.87Å; R360-D437 PolarHBondContact NH1-O 2.95Å
361D79.3Confident90.7Very high94 Ų9453.8 Ų53.850%0.50326%0.264SS..THydrogen-bonded Turntrans-55.6-33.4176.5-67.9-29.9000112.4N359N359-D361 VanDerWaalsContact C-N 3.25Å; N359-D361 PolarHBondContact O-N 3.17Å; N359-D361 WeakPolarHBondContact OD1-CB 3.4Å; N359-D361 PolarHBondContact OD1-N 3.08Å; N359-D361 PolarHBondContact OD1-OD2 2.77Å
362F83.4Confident90.7Very high157 Ų15749 Ų4969%0.68924%0.242SC*.THydrogen-bonded Turntrans-96.6-37.9180-59.7-79.3000111.8N359 R360N359-F362 HydrophobicContact CB-CD2 3.96Å; N359-F362 HydrophobicContact CB-CE2 4.46Å; N359-F362 PolarHBondContact O-N 2.92Å; R360-F362 PolarHBondContact O-N 3.48Å; R360-F362 VanDerWaalsContact O-N 3.17Å
363H87Confident90.6Very high34 Ų3451.8 Ų51.816%0.15726%0.255CS..  trans-137.899.1-172.7-59.1120.5000111.4D338 F342 V358 N359 R360 F366 I390D338-H363 IonicContact OD1-NE2 3.33Å; D338-H363 IonicContact OD2-CE1 4Å; D338-H363 PolarHBondContact OD2-CE1 2.78Å; D338-H363 VanDerWaalsContact OD2-CE1 3.28Å; D338-H363 IonicContact OD2-NE2 2.6Å; F342-H363 AromaticContact CE2-CE1 3.72Å; F342-H363 AromaticContact CE2-ND1 3.74Å; F342-H363 AromaticContact CZ-CE1 3.89Å; F342-H363 AromaticContact CZ-ND1 3.75Å; V358-H363 HydrophobicContact CG1-CB 3.94Å; N359-H363 PolarHBondContact O-N 3.27Å; R360-H363 CarbonylContact O-C 3.48Å; R360-H363 PolarHBondContact O-N 2.98Å; H363-F366 HydrophobicContact CB-CE2 3.72Å; H363-F366 HydrophobicContact CB-CZ 3.62Å; H363-F366 AromaticContact CG-CZ 3.79Å; H363-I390 VanDerWaalsContact O-CG1 3.27Å; H363-I390 WeakPolarHBondContact O-CG1 3.4Å
364Q86.2Confident90.4Very high124 Ų12450.2 Ų50.258%0.57925%0.245SC*.SBendtrans-77.3-26.6177.5-64.9179-1.900113.2R360 I390R360-Q364 HydrophobicContact CG-CG 4.37Å; Q364-I390 WeakPolarHBondContact O-CB 3.29Å; Q364-I390 PolarHBondContact O-N 2.88Å
365K91.7Very high90.1Very high105 Ų10553.9 Ų53.946%0.45726%0.264SS..EExtended strand (participates in β ladder)trans-158.5156.2-177.469.2-173.8-164.9138.70112.4D367 I388K365-D367 WeakPolarHBondContact CE-OD2 3.36Å; K365-D367 IonicContact NZ-OD2 3.51Å; K365-D367 PolarHBondContact NZ-OD2 3.31Å; K365-I388 CarbonylContact C-O 3.56Å; K365-I388 WeakPolarHBondContact CA-O 3.31Å; K365-I388 WeakPolarHBondContact CB-O 3.49Å
366F95.4Very high89.8Confident0 Ų053.6 Ų53.60%026%0.264CS..EExtended strand (participates in β ladder)trans-123.2127.9169.5-62.9-101.8000110.3T335 P336 F342 F343 V358 H363 L368 I388 I390T335-F366 WeakPolarHBondContact O-CA 3.32Å; P336-F366 HydrophobicContact CG-CD1 3.96Å; P336-F366 HydrophobicContact CG-CE1 3.63Å; P336-F366 HydrophobicContact CG-CZ 4.4Å; F342-F366 AromaticContact CD2-CE1 3.74Å; F342-F366 HydrophobicContact CD2-CE1 3.74Å; F342-F366 AromaticContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CD2-CZ 3.67Å; F342-F366 HydrophobicContact CE2-CE1 4.31Å; F342-F366 HydrophobicContact CE2-CZ 4.09Å; F342-F366 HydrophobicContact CG-CE1 4.48Å; F342-F366 HydrophobicContact CG-CZ 4.15Å; F343-F366 HydrophobicContact CD2-CD1 4.15Å; F343-F366 HydrophobicContact CD2-CE1 4.46Å; F343-F366 HydrophobicContact CD2-CG 4.24Å; F343-F366 HydrophobicContact CE2-CB 4.11Å; F343-F366 AromaticContact CE2-CD1 3.66Å; F343-F366 HydrophobicContact CE2-CD1 3.66Å; F343-F366 AromaticContact CE2-CD2 3.46Å; F343-F366 HydrophobicContact CE2-CD2 3.46Å; F343-F366 VanDerWaalsContact CE2-CD2 3.46Å; F343-F366 AromaticContact CE2-CE1 3.88Å; F343-F366 HydrophobicContact CE2-CE1 3.88Å; F343-F366 AromaticContact CE2-CE2 3.69Å; F343-F366 HydrophobicContact CE2-CE2 3.69Å; F343-F366 AromaticContact CE2-CG 3.45Å; F343-F366 HydrophobicContact CE2-CG 3.45Å; F343-F366 VanDerWaalsContact CE2-CG 3.45Å; F343-F366 AromaticContact CE2-CZ 3.9Å; F343-F366 HydrophobicContact CE2-CZ 3.9Å; F343-F366 AromaticContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CD2 3.88Å; F343-F366 HydrophobicContact CZ-CE2 4.1Å; F343-F366 HydrophobicContact CZ-CG 4.26Å; V358-F366 HydrophobicContact CG1-CE2 3.87Å; V358-F366 HydrophobicContact CG1-CZ 4.26Å; V358-F366 HydrophobicContact CG2-CE2 4.36Å; H363-F366 HydrophobicContact CB-CE2 3.72Å; H363-F366 HydrophobicContact CB-CZ 3.62Å; H363-F366 AromaticContact CG-CZ 3.79Å; F366-L368 HydrophobicContact CB-CD2 4.22Å; F366-L368 HydrophobicContact CB-CG 4.33Å; F366-I388 HydrophobicContact CB-CB 4.14Å; F366-I388 HydrophobicContact CB-CD1 4.38Å; F366-I388 PolarHBondContact N-O 2.88Å; F366-I388 PolarHBondContact O-N 3Å; F366-I390 HydrophobicContact CD2-CD1 4.34Å; F366-I390 HydrophobicContact CD2-CG1 4.44Å; F366-I390 HydrophobicContact CE2-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CG1 4.28Å
367D94.3Very high89.3Confident59 Ų5952.5 Ų52.532%0.31627%0.274SS..EExtended strand (participates in β ladder)trans-108.9101.5176.1-82.3-62.1000107.6G334 T335 K365 H387G334-D367 CarbonylContact C-O 3.59Å; G334-D367 VanDerWaalsContact CA-O 3.26Å; G334-D367 WeakPolarHBondContact CA-O 3.31Å; T335-D367 PolarHBondContact N-O 2.93Å; T335-D367 PolarHBondContact O-N 3.16Å; T335-D367 WeakPolarHBondContact OG1-CB 3.06Å; K365-D367 WeakPolarHBondContact CE-OD2 3.36Å; K365-D367 IonicContact NZ-OD2 3.51Å; K365-D367 PolarHBondContact NZ-OD2 3.31Å; D367-H387 IonicContact OD1-CE1 2.82Å; D367-H387 PolarHBondContact OD1-CE1 2.9Å; D367-H387 VanDerWaalsContact OD1-CE1 3.28Å; D367-H387 IonicContact OD1-CG 3.67Å; D367-H387 IonicContact OD1-ND1 3.98Å; D367-H387 PolarHBondContact OD1-ND1 2.97Å; D367-H387 IonicContact OD2-CE1 3.65Å; D367-H387 IonicContact OD2-ND1 3.93Å
368L94.9Very high88.8Confident2 Ų251 Ų511%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-108.3148.3-174.4-51.4-176.8000111.5I331 Y339 F343 F366 S385 L386 I388I331-L368 HydrophobicContact CD1-CD1 4.26Å; I331-L368 HydrophobicContact CG2-CB 4.26Å; Y339-L368 HydrophobicContact CD1-CD2 4.27Å; Y339-L368 HydrophobicContact CD2-CD2 3.85Å; Y339-L368 HydrophobicContact CG-CD2 3.68Å; F343-L368 HydrophobicContact CD2-CD1 4.45Å; F366-L368 HydrophobicContact CB-CD2 4.22Å; F366-L368 HydrophobicContact CB-CG 4.33Å; L368-S385 WeakPolarHBondContact O-CA 3.48Å; L368-L386 HydrophobicContact CB-CB 4.22Å; L368-L386 HydrophobicContact CD1-CD2 4.11Å; L368-L386 PolarHBondContact N-O 2.86Å; L368-L386 PolarHBondContact O-N 3.45Å; L368-I388 HydrophobicContact CD1-CD1 3.72Å; L368-I388 HydrophobicContact CG-CD1 4.44Å
369V93.8Very high88.5Confident43 Ų4355.9 Ų55.926%0.26129%0.294SS..EExtended strand (participates in β ladder)trans-112.9115.5171-178.10000108.3L332 V333 F383 A384L332-V369 WeakPolarHBondContact CB-O 3.43Å; L332-V369 HydrophobicContact CD2-CG1 4.41Å; L332-V369 PolarHBondContact N-O 3.31Å; V333-V369 HydrophobicContact CG2-CB 3.88Å; V333-V369 HydrophobicContact CG2-CG2 3.97Å; V333-V369 PolarHBondContact O-N 3.29Å; V369-F383 HydrophobicContact CG1-CB 4.49Å; V369-A384 CarbonylContact C-O 3.54Å; V369-A384 WeakPolarHBondContact CA-O 3.38Å
370I94.3Very high88.5Confident1 Ų158.2 Ų58.21%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-95.9146.3177.760.2172.7000110.5F270 Y287 I309 S330 I331 M345 F383 A384 L386F270-I370 HydrophobicContact CE1-CD1 3.84Å; F270-I370 HydrophobicContact CE1-CG1 4.36Å; F270-I370 HydrophobicContact CZ-CD1 3.97Å; F270-I370 HydrophobicContact CZ-CG1 3.97Å; Y287-I370 HydrophobicContact CD2-CD1 3.82Å; Y287-I370 HydrophobicContact CE2-CD1 3.92Å; I309-I370 HydrophobicContact CD1-CD1 3.97Å; I309-I370 HydrophobicContact CG1-CD1 4.21Å; I309-I370 HydrophobicContact CG2-CD1 3.69Å; S330-I370 CarbonylContact O-C 3.54Å; S330-I370 WeakPolarHBondContact O-CA 3.42Å; I331-I370 HydrophobicContact CG1-CG2 4.41Å; M345-I370 HydrophobicContact CE-CB 4.11Å; M345-I370 HydrophobicContact CE-CG2 3.87Å; M345-I370 HydrophobicContact SD-CG2 4.04Å; I370-F383 VanDerWaalsContact O-CA 3.31Å; I370-F383 WeakPolarHBondContact O-CA 3.4Å; I370-A384 HydrophobicContact CD1-CB 4.18Å; I370-A384 HydrophobicContact CG1-CB 3.88Å; I370-A384 WeakPolarHBondContact CG1-O 3.36Å; I370-A384 PolarHBondContact N-O 2.83Å; I370-A384 PolarHBondContact O-N 2.87Å; I370-L386 HydrophobicContact CG2-CB 4.34Å; I370-L386 HydrophobicContact CG2-CD2 4.3Å
371K92.9Very high88.7Confident37 Ų3757.8 Ų57.816%0.16131%0.31CS..EExtended strand (participates in β ladder)trans-121.3135-179.4179.2-172.2174.5-153.90109.5Y329 S330 L332 E373 P381 A382 F383Y329-K371 WeakPolarHBondContact CA-O 3.01Å; S330-K371 PolarHBondContact N-O 2.84Å; S330-K371 PolarHBondContact O-N 3.34Å; L332-K371 HydrophobicContact CB-CB 4.37Å; L332-K371 HydrophobicContact CD1-CD 4.48Å; K371-E373 WeakPolarHBondContact CE-OE2 3.38Å; K371-E373 IonicContact NZ-OE1 3.82Å; K371-E373 PolarHBondContact NZ-OE1 3.41Å; K371-E373 IonicContact NZ-OE2 2.98Å; K371-E373 PolarHBondContact NZ-OE2 3.49Å; K371-P381 HydrophobicContact CD-CB 4.49Å; K371-P381 HydrophobicContact CG-CB 4.2Å; K371-A382 CarbonylContact C-O 3.54Å; K371-A382 WeakPolarHBondContact CA-O 3.33Å; K371-F383 HydrophobicContact CB-CD1 3.96Å; K371-F383 HydrophobicContact CB-CE1 4.01Å; K371-F383 HydrophobicContact CD-CE1 3.92Å; K371-F383 HydrophobicContact CG-CD1 4Å; K371-F383 HydrophobicContact CG-CE1 3.64Å
372A92.7Very high89.2Confident0 Ų054.2 Ų54.20%029%0.294CS..EExtended strand (participates in β ladder)trans-113.2129.4167.100000109.4P268 F270 A311 I327 L328 Y329 P381 A382P268-A372 HydrophobicContact CB-CB 4.43Å; P268-A372 HydrophobicContact CG-CB 4.27Å; P268-A372 WeakPolarHBondContact CG-O 3.4Å; F270-A372 HydrophobicContact CE1-CB 4.06Å; F270-A372 HydrophobicContact CE2-CB 3.88Å; F270-A372 HydrophobicContact CZ-CB 3.54Å; A311-A372 HydrophobicContact CB-CB 3.91Å; I327-A372 HydrophobicContact CG2-CB 3.98Å; L328-A372 WeakPolarHBondContact O-CA 3.29Å; Y329-A372 HydrophobicContact CD1-CB 4.22Å; Y329-A372 HydrophobicContact CE1-CB 4.25Å; A372-P381 WeakPolarHBondContact O-CA 3.07Å; A372-A382 PolarHBondContact N-O 3.2Å; A372-A382 PolarHBondContact O-N 2.87Å
373E92.1Very high89.6Confident59 Ų5951.4 Ų51.428%0.27628%0.281SS..EExtended strand (participates in β ladder)trans-136.9150.817768.2-171.5146.600111.6I327 L328 K371 P381I327-E373 WeakPolarHBondContact CA-O 3.36Å; L328-E373 HydrophobicContact CB-CG 4.13Å; L328-E373 PolarHBondContact N-O 3.14Å; L328-E373 PolarHBondContact O-N 3.15Å; K371-E373 WeakPolarHBondContact CE-OE2 3.38Å; K371-E373 IonicContact NZ-OE1 3.82Å; K371-E373 PolarHBondContact NZ-OE1 3.41Å; K371-E373 IonicContact NZ-OE2 2.98Å; K371-E373 PolarHBondContact NZ-OE2 3.49Å; E373-P381 HydrophobicContact CB-CB 4.29Å
374Q91.1Very high89.8Confident3 Ų350 Ų501%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-72.8142173.2-76.6154.2-55.300110.4D264 L266 D313 P325 G326 N376 G377 H378D264-Q374 PolarHBondContact OD1-NE2 2.64Å; L266-Q374 PolarHBondContact O-NE2 2.78Å; L266-Q374 PolarHBondContact O-OE1 2.84Å; D313-Q374 PolarHBondContact OD1-NE2 2.76Å; P325-Q374 HydrophobicContact CB-CB 3.92Å; P325-Q374 HydrophobicContact CB-CG 4.03Å; P325-Q374 HydrophobicContact CG-CB 4.15Å; P325-Q374 HydrophobicContact CG-CG 3.79Å; G326-Q374 CarbonylContact O-C 3.58Å; G326-Q374 VanDerWaalsContact O-CA 3.31Å; G326-Q374 WeakPolarHBondContact O-CA 3.36Å; Q374-N376 VanDerWaalsContact CB-OD1 3.3Å; Q374-N376 WeakPolarHBondContact CB-OD1 3.5Å; Q374-N376 PolarHBondContact O-N 2.91Å; Q374-G377 PolarHBondContact O-N 2.79Å; Q374-G377 VanDerWaalsContact O-N 3.09Å; Q374-H378 HydrophobicContact CB-CB 3.92Å; Q374-H378 HydrophobicContact CG-CB 4.47Å; Q374-H378 PolarHBondContact OE1-ND1 2.89Å
375D88.1Confident90.1Very high79 Ų7947.1 Ų47.142%0.42227%0.269SS..THydrogen-bonded Turntrans-70.5-14.9-175.464.1-2.7000114.3P325 G326 L328 G377P325-D375 WeakPolarHBondContact CA-OD1 3.43Å; P325-D375 WeakPolarHBondContact CB-OD1 3.36Å; G326-D375 WeakPolarHBondContact CA-OD2 3.46Å; G326-D375 PolarHBondContact N-OD1 3.28Å; G326-D375 PolarHBondContact N-OD2 2.93Å; G326-D375 PolarHBondContact O-N 2.91Å; L328-D375 HydrophobicContact CD1-CB 3.89Å; L328-D375 HydrophobicContact CG-CB 4.03Å; D375-G377 VanDerWaalsContact C-N 3.28Å
376N85.9Confident90.2Very high85 Ų8542.2 Ų42.246%0.45525%0.248SC..THydrogen-bonded Turntrans-82.1-2.617270-3.4000113.6D264 P325 Q374 H378D264-N376 PolarHBondContact OD2-ND2 2.8Å; P325-N376 HydrophobicContact CB-CB 4.3Å; Q374-N376 VanDerWaalsContact CB-OD1 3.3Å; Q374-N376 WeakPolarHBondContact CB-OD1 3.5Å; Q374-N376 PolarHBondContact O-N 2.91Å; N376-H378 PolarHBondContact OD1-N 2.87Å; N376-H378 VanDerWaalsContact OD1-N 3.12Å
377G79.7Confident90.1Very high59 Ų5944.5 Ų44.561%0.60826%0.259SS*.  trans80.428178.200000114.7Q374 D375Q374-G377 PolarHBondContact O-N 2.79Å; Q374-G377 VanDerWaalsContact O-N 3.09Å; D375-G377 VanDerWaalsContact C-N 3.28Å
378H81.7Confident90.1Very high27 Ų2741.7 Ų41.713%0.12524%0.244CC..  trans-53.8140173.4-168-109000112D264 L266 Q374 N376 L380D264-H378 IonicContact OD1-CD2 3.4Å; D264-H378 IonicContact OD2-CD2 2.73Å; D264-H378 PolarHBondContact OD2-CD2 3.05Å; L266-H378 PolarHBondContact O-CE1 2.85Å; L266-H378 VanDerWaalsContact O-CE1 3.32Å; Q374-H378 HydrophobicContact CB-CB 3.92Å; Q374-H378 HydrophobicContact CG-CB 4.47Å; Q374-H378 PolarHBondContact OE1-ND1 2.89Å; N376-H378 PolarHBondContact OD1-N 2.87Å; N376-H378 VanDerWaalsContact OD1-N 3.12Å; H378-L380 VanDerWaalsContact C-N 3.26Å; H378-L380 PolarHBondContact O-N 3.03Å
379P81.4Confident90Very high106 Ų10646.7 Ų46.769%0.68827%0.267SS*.SBendtrans-77.2-1.4-16930.8-37.2000115.3P381P379-P381 VanDerWaalsContact C-CD 3.42Å; P379-P381 WeakPolarHBondContact O-CD 3.49Å
380L86.2Confident89.9Confident93 Ų9344.9 Ų44.949%0.48726%0.256SS..  trans-110.376.1-175.1-62.8-179.2000112.2G267 P268 H378G267-L380 WeakPolarHBondContact CA-O 3.19Å; P268-L380 WeakPolarHBondContact CD-O 3.27Å; H378-L380 VanDerWaalsContact C-N 3.26Å; H378-L380 PolarHBondContact O-N 3.03Å
381P90.9Very high89.3Confident47 Ų4748.2 Ų48.231%0.30527%0.273SS..  trans-74.8155.4174.332.6-36000112.1K371 A372 E373 P379 F383K371-P381 HydrophobicContact CD-CB 4.49Å; K371-P381 HydrophobicContact CG-CB 4.2Å; A372-P381 WeakPolarHBondContact O-CA 3.07Å; E373-P381 HydrophobicContact CB-CB 4.29Å; P379-P381 VanDerWaalsContact C-CD 3.42Å; P379-P381 WeakPolarHBondContact O-CD 3.49Å; P381-F383 HydrophobicContact CB-CZ 4.22Å; P381-F383 HydrophobicContact CG-CE2 4.08Å; P381-F383 HydrophobicContact CG-CZ 3.76Å
382A89.5Confident88.6Confident18 Ų1849.1 Ų49.115%0.14928%0.28CS..EExtended strand (participates in β ladder)trans-105.4150.5171.400000111.8P268 F270 K371 A372P268-A382 VanDerWaalsContact O-CB 3.27Å; P268-A382 WeakPolarHBondContact O-CB 3.47Å; F270-A382 HydrophobicContact CD2-CB 3.93Å; F270-A382 HydrophobicContact CE2-CB 4.05Å; K371-A382 CarbonylContact C-O 3.54Å; K371-A382 WeakPolarHBondContact CA-O 3.33Å; A372-A382 PolarHBondContact N-O 3.2Å; A372-A382 PolarHBondContact O-N 2.87Å
383F91.6Very high87.8Confident98 Ų9853.5 Ų53.543%0.4330%0.3SS..EExtended strand (participates in β ladder)trans-128.7142.7-179.8-53.8-78.1000111.3P284 L332 V369 I370 K371 P381P284-F383 VanDerWaalsContact CG-O 3.26Å; P284-F383 WeakPolarHBondContact CG-O 3.43Å; L332-F383 HydrophobicContact CD2-CD1 4.02Å; L332-F383 HydrophobicContact CD2-CE1 3.78Å; V369-F383 HydrophobicContact CG1-CB 4.49Å; I370-F383 VanDerWaalsContact O-CA 3.31Å; I370-F383 WeakPolarHBondContact O-CA 3.4Å; K371-F383 HydrophobicContact CB-CD1 3.96Å; K371-F383 HydrophobicContact CB-CE1 4.01Å; K371-F383 HydrophobicContact CD-CE1 3.92Å; K371-F383 HydrophobicContact CG-CD1 4Å; K371-F383 HydrophobicContact CG-CE1 3.64Å; P381-F383 HydrophobicContact CB-CZ 4.22Å; P381-F383 HydrophobicContact CG-CE2 4.08Å; P381-F383 HydrophobicContact CG-CZ 3.76Å
384A91.3Very high87Confident6 Ų653.5 Ų53.55%0.0530%0.302CS..EExtended strand (participates in β ladder)trans-140.9159.9172.600000111.3F270 P284 Y287 V369 I370F270-A384 HydrophobicContact CD2-CB 3.74Å; F270-A384 HydrophobicContact CE2-CB 3.86Å; F270-A384 HydrophobicContact CG-CB 4.11Å; F270-A384 HydrophobicContact CZ-CB 4.33Å; P284-A384 HydrophobicContact CB-CB 3.9Å; P284-A384 HydrophobicContact CG-CB 4.08Å; Y287-A384 HydrophobicContact CD2-CB 3.92Å; Y287-A384 HydrophobicContact CE2-CB 3.61Å; V369-A384 CarbonylContact C-O 3.54Å; V369-A384 WeakPolarHBondContact CA-O 3.38Å; I370-A384 HydrophobicContact CD1-CB 4.18Å; I370-A384 HydrophobicContact CG1-CB 3.88Å; I370-A384 WeakPolarHBondContact CG1-O 3.36Å; I370-A384 PolarHBondContact N-O 2.83Å; I370-A384 PolarHBondContact O-N 2.87Å
385S91.9Very high86.4Confident63 Ų6355.6 Ų55.644%0.44131%0.314SS..EExtended strand (participates in β ladder)trans-99.4135177.8-59.90000110.5Y287 L368Y287-S385 PolarHBondContact N-O 2.93Å; L368-S385 WeakPolarHBondContact O-CA 3.48Å
386L94Very high86Confident1 Ų154.8 Ų54.81%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-119.9116.7176.3168.563.3000109Y287 V305 I309 L352 L368 I370 I388Y287-L386 CarbonylContact O-C 3.59Å; Y287-L386 WeakPolarHBondContact O-CA 3.26Å; V305-L386 HydrophobicContact CG1-CD1 3.68Å; V305-L386 HydrophobicContact CG2-CD1 4.33Å; I309-L386 HydrophobicContact CD1-CD2 4.39Å; L352-L386 HydrophobicContact CD1-CD2 4.31Å; L352-L386 HydrophobicContact CD2-CD2 3.97Å; L368-L386 HydrophobicContact CB-CB 4.22Å; L368-L386 HydrophobicContact CD1-CD2 4.11Å; L368-L386 PolarHBondContact N-O 2.86Å; L368-L386 PolarHBondContact O-N 3.45Å; I370-L386 HydrophobicContact CG2-CB 4.34Å; I370-L386 HydrophobicContact CG2-CD2 4.3Å; L386-I388 HydrophobicContact CD1-CG1 4.39Å; L386-I388 HydrophobicContact CD2-CD1 4.38Å; L386-I388 HydrophobicContact CG-CD1 4.49Å; L386-I388 HydrophobicContact CG-CG1 4.13Å
387H94.1Very high85.9Confident48 Ų4853.6 Ų53.622%0.22231%0.305CS..EExtended strand (participates in β ladder)trans-102.9122.5178.2-16563.7000109.9T286 Y287 Q288 A289 D367T286-H387 HydrophobicContact CG2-CB 4.35Å; Y287-H387 PolarHBondContact O-N 2.85Å; Q288-H387 CarbonylContact C-O 3.59Å; Q288-H387 VanDerWaalsContact CA-O 3.27Å; Q288-H387 WeakPolarHBondContact CA-O 3.39Å; Q288-H387 HydrophobicContact CG-CB 4.47Å; A289-H387 PolarHBondContact N-O 2.96Å; D367-H387 IonicContact OD1-CE1 2.82Å; D367-H387 PolarHBondContact OD1-CE1 2.9Å; D367-H387 VanDerWaalsContact OD1-CE1 3.28Å; D367-H387 IonicContact OD1-CG 3.67Å; D367-H387 IonicContact OD1-ND1 3.98Å; D367-H387 PolarHBondContact OD1-ND1 2.97Å; D367-H387 IonicContact OD2-CE1 3.65Å; D367-H387 IonicContact OD2-ND1 3.93Å
388I94.5Very high86.5Confident0 Ų050.9 Ų50.90%028%0.277CS..EExtended strand (participates in β ladder)trans-115.1117.5178.1-49176.7000107.7A289 I291 F343 L352 K365 F366 L368 L386 I390A289-I388 HydrophobicContact CB-CG1 4.35Å; A289-I388 HydrophobicContact CB-CG2 4.32Å; A289-I388 CarbonylContact O-C 3.2Å; A289-I388 WeakPolarHBondContact O-CA 3.45Å; I291-I388 HydrophobicContact CD1-CG2 3.59Å; I291-I388 HydrophobicContact CG1-CG2 4.07Å; F343-I388 HydrophobicContact CD1-CD1 3.91Å; F343-I388 HydrophobicContact CD2-CD1 4.18Å; F343-I388 HydrophobicContact CE1-CD1 3.73Å; F343-I388 HydrophobicContact CE1-CG2 4.37Å; F343-I388 HydrophobicContact CE2-CD1 4.02Å; F343-I388 HydrophobicContact CG-CD1 4.13Å; F343-I388 HydrophobicContact CZ-CD1 3.79Å; F343-I388 HydrophobicContact CZ-CG2 4.1Å; L352-I388 HydrophobicContact CD2-CD1 3.79Å; K365-I388 CarbonylContact C-O 3.56Å; K365-I388 WeakPolarHBondContact CA-O 3.31Å; K365-I388 WeakPolarHBondContact CB-O 3.49Å; F366-I388 HydrophobicContact CB-CB 4.14Å; F366-I388 HydrophobicContact CB-CD1 4.38Å; F366-I388 PolarHBondContact N-O 2.88Å; F366-I388 PolarHBondContact O-N 3Å; L368-I388 HydrophobicContact CD1-CD1 3.72Å; L368-I388 HydrophobicContact CG-CD1 4.44Å; L386-I388 HydrophobicContact CD1-CG1 4.39Å; L386-I388 HydrophobicContact CD2-CD1 4.38Å; L386-I388 HydrophobicContact CG-CD1 4.49Å; L386-I388 HydrophobicContact CG-CG1 4.13Å; I388-I390 HydrophobicContact CG2-CD1 4.3Å
389E91.8Very high86.9Confident108 Ų10853.7 Ų53.751%0.50529%0.287SS..EExtended strand (participates in β ladder)trans-97.8133.8175.1-172171.6-163.100109.7A289 A290 I291A289-E389 PolarHBondContact O-N 2.81Å; A290-E389 WeakPolarHBondContact CA-O 3.35Å; I291-E389 PolarHBondContact N-O 3.31Å
390I91.5Very high87.5Confident4 Ų450 Ų502%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-95113.3175.2-52.5-56.6000108.1I291 E293 V358 R360 H363 Q364 F366 I388I291-I390 HydrophobicContact CB-CD1 4.14Å; I291-I390 CarbonylContact O-C 3.6Å; I291-I390 WeakPolarHBondContact O-CA 3.17Å; E293-I390 HydrophobicContact CB-CG2 3.77Å; V358-I390 HydrophobicContact CB-CD1 4.19Å; V358-I390 HydrophobicContact CG1-CD1 4.01Å; V358-I390 HydrophobicContact CG1-CG1 3.95Å; V358-I390 HydrophobicContact CG1-CG2 4.4Å; V358-I390 HydrophobicContact CG2-CD1 4.35Å; R360-I390 HydrophobicContact CB-CG2 3.86Å; R360-I390 HydrophobicContact CG-CB 4.44Å; R360-I390 HydrophobicContact CG-CG2 4.14Å; H363-I390 VanDerWaalsContact O-CG1 3.27Å; H363-I390 WeakPolarHBondContact O-CG1 3.4Å; Q364-I390 WeakPolarHBondContact O-CB 3.29Å; Q364-I390 PolarHBondContact O-N 2.88Å; F366-I390 HydrophobicContact CD2-CD1 4.34Å; F366-I390 HydrophobicContact CD2-CG1 4.44Å; F366-I390 HydrophobicContact CE2-CD1 4.27Å; F366-I390 HydrophobicContact CE2-CG1 4.28Å; I388-I390 HydrophobicContact CG2-CD1 4.3Å
391L83.2Confident87.7Confident72 Ų7248.7 Ų48.738%0.37726%0.256SS..EExtended strand (participates in β ladder)trans-78135.9-179.2-56.6177000109.4A290 I291 E293A290-L391 HydrophobicContact CB-CD1 3.9Å; A290-L391 HydrophobicContact CB-CD2 4.16Å; A290-L391 HydrophobicContact CB-CG 4.02Å; I291-L391 PolarHBondContact O-N 2.81Å; E293-L391 PolarHBondContact N-O 2.86Å
392D76.9Confident87.7Confident56 Ų5650.9 Ų50.930%0.29926%0.263SS..  trans-68.4137176.1-16740000111.5R360 D437R360-D392 VanDerWaalsContact CZ-CB 3.43Å; R360-D392 IonicContact CZ-OD1 3.76Å; R360-D392 IonicContact NE-OD1 2.64Å; R360-D392 VanDerWaalsContact NH1-CB 3.33Å; R360-D392 IonicContact NH1-OD1 2.88Å; R360-D392 PolarHBondContact NH1-OD1 3.21Å; R360-D392 IonicContact NH1-OD2 3.85Å; R360-D392 PolarHBondContact NH1-OD2 2.87Å; D392-D437 VanDerWaalsContact OD2-C 3.31Å; D392-D437 WeakPolarHBondContact OD2-CB 3.4Å
393E76.8Confident87.7Confident91 Ų9155.5 Ų55.543%0.42529%0.292SS..  trans-121123.4170.6-74.9-78.4170.600107.6P292 E293 N395P292-E393 HydrophobicContact CB-CG 4.06Å; P292-E393 WeakPolarHBondContact CB-OE1 3.32Å; E293-E393 HydrophobicContact CG-CB 4.07Å; E293-E393 HydrophobicContact CG-CG 4.34Å; E293-E393 PolarHBondContact OE1-N 2.87Å; E393-N395 WeakPolarHBondContact O-CB 3.41Å; E393-N395 VanDerWaalsContact O-CG 3.26Å; E393-N395 PolarHBondContact O-N 2.86Å; E393-N395 PolarHBondContact O-ND2 3.47Å
394N74.1Confident87.8Confident60 Ų6054.1 Ų54.132%0.32129%0.294SS..SBendtrans-59.694.1-177.2175.6-8.6000110.7D437 D490 V492 Q493N394-D437 WeakPolarHBondContact CA-OD2 3.33Å; N394-D437 PolarHBondContact OD1-OD2 3.05Å; N394-D490 PolarHBondContact ND2-OD1 3.25Å; N394-V492 WeakPolarHBondContact ND2-CG2 3.14Å; N394-Q493 PolarHBondContact OD1-NE2 2.85Å
395N78.6Confident87.9Confident47 Ų4754.3 Ų54.325%0.25129%0.294SS..  trans-137.3-1-170.376.550.4000113.2E393 D437 Q493E393-N395 WeakPolarHBondContact O-CB 3.41Å; E393-N395 VanDerWaalsContact O-CG 3.26Å; E393-N395 PolarHBondContact O-N 2.86Å; E393-N395 PolarHBondContact O-ND2 3.47Å; N395-D437 PolarHBondContact N-OD2 2.97Å; N395-Q493 PolarHBondContact O-NE2 2.89Å; N395-Q493 PolarHBondContact O-OE1 2.87Å
396Q79.9Confident88Confident62 Ų6255.1 Ų55.129%0.2929%0.291SS..SBendtrans-110.4127172.5-60.6-60.8-58.700111K436 D437 Q493Q396-K436 HydrophobicContact CB-CB 4Å; Q396-K436 HydrophobicContact CG-CB 4.06Å; Q396-D437 VanDerWaalsContact CB-OD1 3.24Å; Q396-D437 WeakPolarHBondContact CB-OD1 3.38Å; Q396-D437 VanDerWaalsContact CG-OD1 3.22Å; Q396-D437 WeakPolarHBondContact CG-OD1 3.5Å; Q396-D437 PolarHBondContact N-OD1 3.14Å; Q396-D437 PolarHBondContact N-OD2 3.16Å; Q396-Q493 PolarHBondContact O-NE2 2.87Å
397S85Confident88Confident59 Ų5955 Ų5541%0.41329%0.291SS..  trans-69.3143.6177.460.30000111.9
398P92Very high88.1Confident2 Ų254.5 Ų54.51%0.01329%0.287CS..  trans-63.2155.7176.323.1-33.8000111.9L434 L446 A488 D490 S495P398-L434 CarbonylContact C-O 3.53Å; P398-L434 WeakPolarHBondContact CA-O 3.47Å; P398-L446 HydrophobicContact CB-CD1 3.81Å; P398-L446 HydrophobicContact CB-CD2 3.84Å; P398-L446 HydrophobicContact CB-CG 4.48Å; P398-L446 HydrophobicContact CG-CD2 4.14Å; P398-A488 HydrophobicContact CB-CB 4.32Å; P398-A488 HydrophobicContact CG-CB 4.39Å; P398-A488 WeakPolarHBondContact CG-O 3.46Å; P398-D490 WeakPolarHBondContact CD-OD2 3.24Å; P398-D490 HydrophobicContact CG-CB 4.38Å; P398-S495 VanDerWaalsContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CB 3.46Å
399Y89.8Confident88.1Confident87 Ų8754.9 Ų54.934%0.34129%0.289SS..EExtended strand (participates in β ladder)trans-142.8146.9-178.671-81.8000113A433 L434 K436Y399-A433 CarbonylContact O-C 3.55Å; Y399-A433 VanDerWaalsContact O-CA 3.27Å; Y399-A433 WeakPolarHBondContact O-CA 3.46Å; Y399-L434 WeakPolarHBondContact CD1-O 3.47Å; Y399-L434 HydrophobicContact CE1-CB 3.91Å; Y399-L434 PolarHBondContact N-O 3Å; Y399-L434 PolarHBondContact O-N 2.83Å; Y399-K436 HydrophobicContact CE1-CG 4.08Å
400F93.4Very high88.1Confident27 Ų2752.2 Ų52.212%0.11828%0.278CS..EExtended strand (participates in β ladder)trans-82.6141.2173.6-69-80.4000111.5M402 Y405 I431 A433 L448 I486 A488 S495 V498F400-M402 VanDerWaalsContact C-N 3.27Å; F400-M402 PolarHBondContact O-N 2.72Å; F400-Y405 HydrophobicContact CD1-CE2 4.1Å; F400-I431 HydrophobicContact CD1-CG2 4.21Å; F400-I431 HydrophobicContact CE1-CG2 3.92Å; F400-A433 HydrophobicContact CD1-CB 3.84Å; F400-A433 HydrophobicContact CE1-CB 3.81Å; F400-A433 HydrophobicContact CG-CB 4.49Å; F400-A433 HydrophobicContact CZ-CB 4.44Å; F400-L448 HydrophobicContact CE1-CD2 3.95Å; F400-L448 HydrophobicContact CZ-CD2 4.31Å; F400-I486 HydrophobicContact CE1-CG2 4.29Å; F400-I486 WeakPolarHBondContact CE2-O 3.42Å; F400-I486 HydrophobicContact CZ-CB 4.32Å; F400-I486 HydrophobicContact CZ-CG2 3.82Å; F400-A488 HydrophobicContact CE2-CB 4.24Å; F400-A488 HydrophobicContact CZ-CB 3.89Å; F400-S495 VanDerWaalsContact CE2-OG 3.24Å; F400-S495 WeakPolarHBondContact CE2-OG 3.16Å; F400-V498 HydrophobicContact CD1-CG1 4.03Å; F400-V498 HydrophobicContact CD2-CB 3.81Å; F400-V498 HydrophobicContact CD2-CG1 3.67Å; F400-V498 HydrophobicContact CE1-CG1 4.13Å; F400-V498 HydrophobicContact CE2-CB 4.23Å; F400-V498 HydrophobicContact CE2-CG1 3.75Å; F400-V498 HydrophobicContact CG-CB 4.16Å; F400-V498 HydrophobicContact CG-CG1 3.82Å; F400-V498 HydrophobicContact CZ-CG1 4.01Å
401T90.3Very high88.1Confident66 Ų6652.4 Ų52.441%0.40528%0.279SS..SBendtrans-72.1-18.6177.552.20000113.9V432 L434T401-V432 HydrophobicContact CG2-CB 4.12Å; T401-V432 HydrophobicContact CG2-CG1 3.83Å; T401-V432 PolarHBondContact N-O 3.43Å; T401-V432 PolarHBondContact OG1-O 3.23Å; T401-L434 HydrophobicContact CG2-CD1 3.95Å; T401-L434 HydrophobicContact CG2-CG 4.22Å
402M90.7Very high88.4Confident93 Ų9352.3 Ų52.346%0.45828%0.284SS..SBendtrans-124.8146.8178.6-65.3-68.4-170.600110.5F400 S404 Y405 V498F400-M402 VanDerWaalsContact C-N 3.27Å; F400-M402 PolarHBondContact O-N 2.72Å; M402-S404 VanDerWaalsContact C-N 3.33Å; M402-Y405 HydrophobicContact CB-CD1 4.36Å; M402-Y405 HydrophobicContact CB-CE1 3.76Å; M402-Y405 HydrophobicContact CB-CE2 4.32Å; M402-Y405 HydrophobicContact CG-CE1 3.88Å; M402-V498 WeakPolarHBondContact O-CG2 3.32Å
403P90.8Very high89.1Confident115 Ų11550.3 Ų50.375%0.74728%0.275SS*.SBendtrans-78.6-15.2179.132.2-36.5000114V498P403-V498 WeakPolarHBondContact O-CG2 3.12Å
404S92.9Very high89.8Confident69 Ų6950.7 Ų50.748%0.48329%0.285SS..EExtended strand (participates in β ladder)trans-164.2149.7176.760.70000110.1M402 V499M402-S404 VanDerWaalsContact C-N 3.33Å; S404-V499 CarbonylContact C-O 3.55Å; S404-V499 VanDerWaalsContact CA-O 3.32Å; S404-V499 WeakPolarHBondContact CA-O 3.25Å
405Y94.2Very high90.5Very high10 Ų1052 Ų524%0.03930%0.295CS..EExtended strand (participates in β ladder)trans-116.7139.3176.9-63.3-83.2000111.6F400 M402 L429 R430 I431 V432 V498 V499 V500 N501F400-Y405 HydrophobicContact CD1-CE2 4.1Å; M402-Y405 HydrophobicContact CB-CD1 4.36Å; M402-Y405 HydrophobicContact CB-CE1 3.76Å; M402-Y405 HydrophobicContact CB-CE2 4.32Å; M402-Y405 HydrophobicContact CG-CE1 3.88Å; Y405-L429 HydrophobicContact CD1-CD1 4.21Å; Y405-R430 WeakPolarHBondContact CE1-O 3.41Å; Y405-I431 HydrophobicContact CD1-CG1 4.41Å; Y405-I431 HydrophobicContact CE1-CG1 4.46Å; Y405-I431 HydrophobicContact CE2-CG2 4.2Å; Y405-I431 HydrophobicContact CG-CG1 4.49Å; Y405-V432 PolarHBondContact OH-O 3.14Å; Y405-V498 HydrophobicContact CD2-CG1 4.1Å; Y405-V498 HydrophobicContact CD2-CG2 4.33Å; Y405-V498 HydrophobicContact CE2-CG1 3.97Å; Y405-V498 HydrophobicContact CE2-CG2 4.27Å; Y405-V499 PolarHBondContact N-O 2.94Å; Y405-V500 HydrophobicContact CD2-CG2 4.26Å; Y405-V500 WeakPolarHBondContact O-CA 3.48Å; Y405-N501 PolarHBondContact O-N 2.94Å
406Q93.7Very high91.1Very high80 Ų8052.1 Ų52.137%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-120.3126.9176.8-175.570.141.100109.7Y408 L429 N501Q406-Y408 HydrophobicContact CG-CE2 4.13Å; Q406-L429 WeakPolarHBondContact O-CD1 3.32Å; Q406-N501 CarbonylContact C-O 3.57Å; Q406-N501 WeakPolarHBondContact CA-O 3.42Å; Q406-N501 PolarHBondContact NE2-O 3.26Å
407G94.6Very high91.6Very high0 Ų050.3 Ų50.30%030%0.303CS..EExtended strand (participates in β ladder)trans-126.2158.1-178.300000113.8S420 N501 I502 R503G407-S420 CarbonylContact C-O 3.55Å; G407-S420 VanDerWaalsContact CA-O 3.24Å; G407-S420 WeakPolarHBondContact CA-O 3.28Å; G407-N501 PolarHBondContact N-O 2.73Å; G407-I502 WeakPolarHBondContact O-CA 3.32Å; G407-R503 PolarHBondContact O-N 3.32Å
408Y94.7Very high92Very high37 Ų3750.8 Ų50.815%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-134139.7176.6-55.3-86.2000110Q406 S420 L423 R503Q406-Y408 HydrophobicContact CG-CE2 4.13Å; Y408-S420 PolarHBondContact N-O 2.92Å; Y408-S420 PolarHBondContact O-N 2.63Å; Y408-L423 HydrophobicContact CD1-CG 4.01Å; Y408-L423 HydrophobicContact CD2-CG 4.5Å; Y408-L423 HydrophobicContact CE1-CD1 3.98Å; Y408-L423 HydrophobicContact CE1-CD2 4.24Å; Y408-L423 HydrophobicContact CE1-CG 3.72Å; Y408-L423 HydrophobicContact CE2-CD1 4.21Å; Y408-L423 HydrophobicContact CE2-CG 4.24Å; Y408-L423 HydrophobicContact CG-CG 4.4Å; Y408-R503 WeakPolarHBondContact CA-O 3.35Å; Y408-R503 HydrophobicContact CD1-CB 4Å; Y408-R503 HydrophobicContact CE1-CB 4.22Å
409I94.3Very high92.2Very high7 Ų750.8 Ų50.84%0.03630%0.304CS..EExtended strand (participates in β ladder)trans-144.8144.1176.9-169.160.2000109.6A413 A417 I419 V474 I502 R503 V504 M505I409-A413 HydrophobicContact CD1-CB 3.6Å; I409-A413 HydrophobicContact CG1-CB 3.88Å; I409-A417 HydrophobicContact CD1-CB 4.17Å; I409-I419 HydrophobicContact CB-CD1 3.76Å; I409-I419 HydrophobicContact CD1-CD1 4.14Å; I409-I419 HydrophobicContact CG1-CD1 3.9Å; I409-I419 HydrophobicContact CG2-CD1 4.18Å; I409-V474 HydrophobicContact CG2-CG2 4.16Å; I409-I502 HydrophobicContact CG2-CG2 3.91Å; I409-R503 PolarHBondContact N-O 2.94Å; I409-R503 VanDerWaalsContact N-O 3.14Å; I409-V504 HydrophobicContact CG2-CG2 4.26Å; I409-V504 CarbonylContact O-C 3.59Å; I409-V504 WeakPolarHBondContact O-CA 3.34Å; I409-M505 PolarHBondContact O-N 3.17Å
410L91.8Very high92.3Very high52 Ų5246.9 Ų46.927%0.27229%0.289SS..EExtended strand (participates in β ladder)trans-81.3140.7174.2-159.573.1000109.3S412 A413 L425 M505 A507L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 WeakPolarHBondContact CD2-OG 3.43Å; L410-S412 PolarHBondContact O-N 3.22Å; L410-A413 HydrophobicContact CB-CB 4.45Å; L410-A413 WeakPolarHBondContact O-CB 3.3Å; L410-A413 PolarHBondContact O-N 3.39Å; L410-L425 HydrophobicContact CB-CD1 3.98Å; L410-L425 HydrophobicContact CD1-CD1 4.25Å; L410-M505 HydrophobicContact CD1-CB 3.96Å; L410-A507 HydrophobicContact CD1-CB 4.41Å; L410-A507 HydrophobicContact CD2-CB 4.49Å; L410-A507 HydrophobicContact CG-CB 4.21Å
411E92.9Very high92.2Very high9 Ų949.5 Ų49.54%0.04230%0.302CS..THydrogen-bonded Turntrans-65.2-31.5178.671.5-166.3124.900113.5A413 V474 R476 V504 M505 D506 A507E411-A413 PolarHBondContact O-N 3.35Å; E411-A413 VanDerWaalsContact O-N 3.14Å; E411-V474 WeakPolarHBondContact CB-O 3.47Å; E411-R476 HydrophobicContact CB-CB 4.28Å; E411-R476 IonicContact OE1-NE 3.19Å; E411-R476 WeakPolarHBondContact OE2-CB 3.1Å; E411-R476 PolarHBondContact OE2-N 3.05Å; E411-V504 HydrophobicContact CB-CG1 3.71Å; E411-M505 PolarHBondContact N-O 3.48Å; E411-D506 VanDerWaalsContact OE1-CA 3.23Å; E411-D506 WeakPolarHBondContact OE1-CA 3.44Å; E411-A507 HydrophobicContact CG-CB 3.88Å; E411-A507 PolarHBondContact OE1-N 3.47Å
412S89.2Confident92.1Very high69 Ų6948 Ų4848%0.48329%0.294SS..THydrogen-bonded Turntrans-767.3171.759.70000114L410 A507L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 WeakPolarHBondContact CD2-OG 3.43Å; L410-S412 PolarHBondContact O-N 3.22Å; S412-A507 WeakPolarHBondContact OG-CB 3.39Å
413A90.7Very high91.8Very high14 Ų1448 Ų4812%0.11630%0.296CS..PPolyproline II helixtrans-67.5131.5176.300000111I409 L410 E411 A417 L470I409-A413 HydrophobicContact CD1-CB 3.6Å; I409-A413 HydrophobicContact CG1-CB 3.88Å; L410-A413 HydrophobicContact CB-CB 4.45Å; L410-A413 WeakPolarHBondContact O-CB 3.3Å; L410-A413 PolarHBondContact O-N 3.39Å; E411-A413 PolarHBondContact O-N 3.35Å; E411-A413 VanDerWaalsContact O-N 3.14Å; A413-A417 HydrophobicContact CB-CB 3.91Å; A413-L470 HydrophobicContact CB-CD2 4.44Å
414P92Very high91.5Very high99 Ų9948.9 Ų48.964%0.64329%0.294SS*.PPolyproline II helixtrans-70.1153.9177.929.7-35000111.5G416 A417P414-G416 PolarHBondContact O-N 3.26Å; P414-A417 WeakPolarHBondContact O-CB 3.41Å; P414-A417 PolarHBondContact O-N 3.48Å
415V90Very high91.1Very high87 Ų8748.8 Ų48.853%0.52729%0.288SS..THydrogen-bonded Turntrans-52.4130.7169.3174.40000109.8L471V415-L471 WeakPolarHBondContact CG1-O 3.38Å
416G90Very high90.7Very high50 Ų5053.2 Ų53.252%0.51532%0.316SS..THydrogen-bonded Turntrans97.2-7.5-173.200000114.7P414 L470P414-G416 PolarHBondContact O-N 3.26Å; G416-L470 WeakPolarHBondContact CA-O 3.1Å; G416-L470 PolarHBondContact N-O 2.8Å
417A91.4Very high90.5Very high24 Ų2452.4 Ų52.420%0.19832%0.317CS..PPolyproline II helixtrans-62.2141.1174.500000111.8I409 A413 P414 T469 L470I409-A417 HydrophobicContact CD1-CB 4.17Å; A413-A417 HydrophobicContact CB-CB 3.91Å; P414-A417 WeakPolarHBondContact O-CB 3.41Å; P414-A417 PolarHBondContact O-N 3.48Å; A417-T469 VanDerWaalsContact O-CA 3.32Å; A417-T469 WeakPolarHBondContact O-CA 3.42Å; A417-L470 PolarHBondContact O-N 3.09Å
418T93.5Very high90.4Very high70 Ų7054.8 Ų54.843%0.42933%0.332SS..BIsolated β-bridgetrans-83.5134.4175.948.20000110.9L468 T469T418-L468 WeakPolarHBondContact CA-O 3.47Å; T418-T469 HydrophobicContact CG2-CG2 3.77Å
419I94.4Very high90.4Very high1 Ų153.2 Ų53.21%0.00533%0.326CS..PPolyproline II helixtrans-63.2136.5174-53.1-57.6000109.2I409 P428 L429 F457 L468 I502I409-I419 HydrophobicContact CB-CD1 3.76Å; I409-I419 HydrophobicContact CD1-CD1 4.14Å; I409-I419 HydrophobicContact CG1-CD1 3.9Å; I409-I419 HydrophobicContact CG2-CD1 4.18Å; I419-P428 CarbonylContact O-C 3.59Å; I419-P428 WeakPolarHBondContact O-CA 3.22Å; I419-L429 HydrophobicContact CG2-CB 4.49Å; I419-L429 HydrophobicContact CG2-CD2 4.27Å; I419-L429 WeakPolarHBondContact O-CB 3.36Å; I419-L429 PolarHBondContact O-N 3.26Å; I419-F457 HydrophobicContact CD1-CD1 4.06Å; I419-F457 HydrophobicContact CD1-CE1 3.78Å; I419-F457 HydrophobicContact CG1-CD1 4.43Å; I419-L468 HydrophobicContact CB-CB 4.15Å; I419-L468 HydrophobicContact CG1-CB 3.71Å; I419-L468 PolarHBondContact N-O 2.81Å; I419-I502 HydrophobicContact CD1-CD1 4.39Å; I419-I502 HydrophobicContact CD1-CG2 4.41Å; I419-I502 HydrophobicContact CG1-CD1 4.2Å; I419-I502 HydrophobicContact CG2-CD1 4.42Å; I419-I502 HydrophobicContact CG2-CG1 4.38Å; I419-I502 HydrophobicContact CG2-CG2 4.26Å
420S93.6Very high90.3Very high5 Ų558.3 Ų58.34%0.03535%0.345CS..BIsolated β-bridgetrans-94.5144.3-178.7-170.70000112.3G407 Y408 S422 L425 T427G407-S420 CarbonylContact C-O 3.55Å; G407-S420 VanDerWaalsContact CA-O 3.24Å; G407-S420 WeakPolarHBondContact CA-O 3.28Å; Y408-S420 PolarHBondContact N-O 2.92Å; Y408-S420 PolarHBondContact O-N 2.63Å; S420-S422 VanDerWaalsContact C-N 3.3Å; S420-S422 PolarHBondContact OG-N 2.78Å; S420-S422 PolarHBondContact OG-O 2.79Å; S420-L425 WeakPolarHBondContact OG-CA 3.25Å; S420-T427 CarbonylContact C-O 3.59Å; S420-T427 WeakPolarHBondContact CA-O 3.46Å; S420-T427 WeakPolarHBondContact CB-O 3.24Å; S420-T427 PolarHBondContact OG-O 3.19Å
421E91.1Very high90.4Very high82 Ų8255.9 Ų55.938%0.38333%0.332SS..SBendtrans-74.6-21.6170.4-169.4174.2-163.400112.3T427 L429 R430E421-T427 PolarHBondContact N-O 2.87Å; E421-L429 HydrophobicContact CB-CB 4.49Å; E421-L429 HydrophobicContact CB-CD1 4.2Å; E421-L429 HydrophobicContact CG-CD1 4.16Å; E421-R430 IonicContact OE2-NH1 3.98Å; E421-R430 PolarHBondContact OE2-NH1 2.92Å
422S87.3Confident90.4Very high36 Ų3656.5 Ų56.525%0.25234%0.336SS..SBendtrans-115.6142.4-170.4177.80000111.8S420 N424 L425S420-S422 VanDerWaalsContact C-N 3.3Å; S420-S422 PolarHBondContact OG-N 2.78Å; S420-S422 PolarHBondContact OG-O 2.79Å; S422-N424 PolarHBondContact O-N 3.44Å; S422-N424 VanDerWaalsContact O-N 3.14Å; S422-N424 PolarHBondContact OG-N 2.71Å; S422-L425 PolarHBondContact O-N 2.86Å
423L84.4Confident90.5Very high93 Ų9353.6 Ų53.649%0.48732%0.316SS..THydrogen-bonded Turntrans-57.4-24.9172.8-89.5120.1000113.6Y408 L425 M505Y408-L423 HydrophobicContact CD1-CG 4.01Å; Y408-L423 HydrophobicContact CD2-CG 4.5Å; Y408-L423 HydrophobicContact CE1-CD1 3.98Å; Y408-L423 HydrophobicContact CE1-CD2 4.24Å; Y408-L423 HydrophobicContact CE1-CG 3.72Å; Y408-L423 HydrophobicContact CE2-CD1 4.21Å; Y408-L423 HydrophobicContact CE2-CG 4.24Å; Y408-L423 HydrophobicContact CG-CG 4.4Å; L423-L425 PolarHBondContact O-N 3.01Å; L423-M505 WeakPolarHBondContact O-CE 3.27Å
424N84.4Confident90.4Very high132 Ų13253.9 Ų53.971%0.70632%0.316SS*.THydrogen-bonded Turntrans-833.8177.6-63.9-13.9000112.8S422 T426S422-N424 PolarHBondContact O-N 3.44Å; S422-N424 VanDerWaalsContact O-N 3.14Å; S422-N424 PolarHBondContact OG-N 2.71Å; N424-T426 HydrophobicContact CB-CG2 4Å; N424-T426 WeakPolarHBondContact O-CG2 3.21Å; N424-T426 PolarHBondContact O-N 2.89Å
425L85.3Confident90.2Very high68 Ų6849.6 Ų49.636%0.35629%0.288SS..SBendtrans56.829.4178.6-54.4177.4000114.4L410 S420 S422 L423 M505L410-L425 HydrophobicContact CB-CD1 3.98Å; L410-L425 HydrophobicContact CD1-CD1 4.25Å; S420-L425 WeakPolarHBondContact OG-CA 3.25Å; S422-L425 PolarHBondContact O-N 2.86Å; L423-L425 PolarHBondContact O-N 3.01Å; L425-M505 HydrophobicContact CD1-SD 4.18Å; L425-M505 HydrophobicContact CD2-SD 3.8Å; L425-M505 HydrophobicContact CG-SD 4.01Å
426T85.4Confident89.8Confident103 Ų10351.3 Ų51.363%0.63229%0.288SS*.  trans-92.4-25.1-172.853.40000114.9N424N424-T426 HydrophobicContact CB-CG2 4Å; N424-T426 WeakPolarHBondContact O-CG2 3.21Å; N424-T426 PolarHBondContact O-N 2.89Å
427T89.6Confident89.4Confident63 Ų6349.3 Ų49.339%0.38727%0.265SS..SBendtrans-134.8132.2-170.748.60000110.7S420 E421S420-T427 CarbonylContact C-O 3.59Å; S420-T427 WeakPolarHBondContact CA-O 3.46Å; S420-T427 WeakPolarHBondContact CB-O 3.24Å; S420-T427 PolarHBondContact OG-O 3.19Å; E421-T427 PolarHBondContact N-O 2.87Å
428P92.8Very high88.8Confident50 Ų5051.2 Ų51.233%0.32527%0.272SS..BIsolated β-bridgetrans-70.6147.2-179.831.1-35.9000111.2I419 R430 Y467I419-P428 CarbonylContact O-C 3.59Å; I419-P428 WeakPolarHBondContact O-CA 3.22Å; P428-R430 PolarHBondContact O-N 3.42Å; P428-Y467 HydrophobicContact CB-CD1 3.79Å; P428-Y467 HydrophobicContact CB-CE1 3.97Å; P428-Y467 HydrophobicContact CG-CD1 4.11Å; P428-Y467 HydrophobicContact CG-CE1 3.75Å
429L93.7Very high87.9Confident3 Ų352.8 Ų52.82%0.01627%0.274CS..PPolyproline II helixtrans-69.2117.5174.517962.1000109.9Y405 Q406 I419 E421 Y467 L468Y405-L429 HydrophobicContact CD1-CD1 4.21Å; Q406-L429 WeakPolarHBondContact O-CD1 3.32Å; I419-L429 HydrophobicContact CG2-CB 4.49Å; I419-L429 HydrophobicContact CG2-CD2 4.27Å; I419-L429 WeakPolarHBondContact O-CB 3.36Å; I419-L429 PolarHBondContact O-N 3.26Å; E421-L429 HydrophobicContact CB-CB 4.49Å; E421-L429 HydrophobicContact CB-CD1 4.2Å; E421-L429 HydrophobicContact CG-CD1 4.16Å; L429-Y467 WeakPolarHBondContact O-CD1 3.1Å; L429-L468 HydrophobicContact CD2-CD1 4.32Å
430R92.9Very high87.1Confident115 Ų11557.4 Ų57.443%0.43430%0.299SS..EExtended strand (participates in β ladder)trans-94.2117.7-178.1-59.9-169.5-36.6-68.5-7.7110.3Y405 E421 P428 T465 Y467Y405-R430 WeakPolarHBondContact CE1-O 3.41Å; E421-R430 IonicContact OE2-NH1 3.98Å; E421-R430 PolarHBondContact OE2-NH1 2.92Å; P428-R430 PolarHBondContact O-N 3.42Å; R430-T465 HydrophobicContact CB-CG2 3.6Å; R430-T465 HydrophobicContact CG-CG2 3.8Å; R430-Y467 HydrophobicContact CG-CE1 4Å
431I93.7Very high86.3Confident0 Ų062.5 Ų62.50%033%0.33CS..EExtended strand (participates in β ladder)trans-102.7121.9172-58.3179.9000107.7F400 Y405 L448 R466 L468 I486F400-I431 HydrophobicContact CD1-CG2 4.21Å; F400-I431 HydrophobicContact CE1-CG2 3.92Å; Y405-I431 HydrophobicContact CD1-CG1 4.41Å; Y405-I431 HydrophobicContact CE1-CG1 4.46Å; Y405-I431 HydrophobicContact CE2-CG2 4.2Å; Y405-I431 HydrophobicContact CG-CG1 4.49Å; I431-L448 HydrophobicContact CG2-CD2 3.97Å; I431-R466 HydrophobicContact CB-CB 4.45Å; I431-R466 PolarHBondContact N-O 3.48Å; I431-R466 PolarHBondContact O-N 2.79Å; I431-L468 HydrophobicContact CD1-CD1 3.71Å; I431-L468 HydrophobicContact CD1-CD2 4.34Å; I431-L468 HydrophobicContact CD1-CG 3.63Å; I431-I486 HydrophobicContact CD1-CD1 3.77Å
432V92.6Very high85.7Confident22 Ų2264.3 Ų64.313%0.13334%0.336CS..  trans-129.2113.5-178.1-178.10000108.1T401 Y405 L434 I464 T465T401-V432 HydrophobicContact CG2-CB 4.12Å; T401-V432 HydrophobicContact CG2-CG1 3.83Å; T401-V432 PolarHBondContact N-O 3.43Å; T401-V432 PolarHBondContact OG1-O 3.23Å; Y405-V432 PolarHBondContact OH-O 3.14Å; V432-L434 HydrophobicContact CG1-CD2 4.03Å; V432-L434 HydrophobicContact CG1-CG 4.12Å; V432-I464 HydrophobicContact CG1-CG2 4.22Å; V432-T465 HydrophobicContact CG2-CG2 4.15Å
433A91.1Very high85.5Confident8 Ų864.9 Ų64.97%0.06634%0.337CS..EExtended strand (participates in β ladder)trans-112.4133.9169.400000108.1Y399 F400 L446 A488Y399-A433 CarbonylContact O-C 3.55Å; Y399-A433 VanDerWaalsContact O-CA 3.27Å; Y399-A433 WeakPolarHBondContact O-CA 3.46Å; F400-A433 HydrophobicContact CD1-CB 3.84Å; F400-A433 HydrophobicContact CE1-CB 3.81Å; F400-A433 HydrophobicContact CG-CB 4.49Å; F400-A433 HydrophobicContact CZ-CB 4.44Å; A433-L446 HydrophobicContact CB-CD1 3.74Å; A433-A488 HydrophobicContact CB-CB 3.99Å
434L89.9Confident85.5Confident20 Ų2061.1 Ų61.111%0.10532%0.318CS..EExtended strand (participates in β ladder)trans-121.2161.8-178.4-61.2176.3000109.3P398 Y399 T401 V432 I464P398-L434 CarbonylContact C-O 3.53Å; P398-L434 WeakPolarHBondContact CA-O 3.47Å; Y399-L434 WeakPolarHBondContact CD1-O 3.47Å; Y399-L434 HydrophobicContact CE1-CB 3.91Å; Y399-L434 PolarHBondContact N-O 3Å; Y399-L434 PolarHBondContact O-N 2.83Å; T401-L434 HydrophobicContact CG2-CD1 3.95Å; T401-L434 HydrophobicContact CG2-CG 4.22Å; V432-L434 HydrophobicContact CG1-CD2 4.03Å; V432-L434 HydrophobicContact CG1-CG 4.12Å; L434-I464 HydrophobicContact CD2-CG2 4.03Å
435D87.5Confident85.6Confident9 Ų962.1 Ų62.15%0.04832%0.318CS..  trans-130.5140.5175.7-165.7-27.2000107.4D437 P444D435-D437 PolarHBondContact OD1-N 3.05Å; D435-D437 VanDerWaalsContact OD1-N 3.09Å; D435-P444 HydrophobicContact CB-CB 3.81Å
436K81Confident85.8Confident124 Ų12459.1 Ų59.154%0.53930%0.302SS..SBendtrans-81.8-18.4-178.6-71.8-177.1-1791730113Q396 Y399 I438Q396-K436 HydrophobicContact CB-CB 4Å; Q396-K436 HydrophobicContact CG-CB 4.06Å; Y399-K436 HydrophobicContact CE1-CG 4.08Å; K436-I438 PolarHBondContact O-N 2.95Å
437D81.8Confident86Confident7 Ų759.7 Ų59.74%0.03730%0.298CS..SBendtrans-66.3-34177.3-64-20.6000109.7R360 D392 N394 N395 Q396 D435R360-D437 PolarHBondContact NH1-O 2.95Å; D392-D437 VanDerWaalsContact OD2-C 3.31Å; D392-D437 WeakPolarHBondContact OD2-CB 3.4Å; N394-D437 WeakPolarHBondContact CA-OD2 3.33Å; N394-D437 PolarHBondContact OD1-OD2 3.05Å; N395-D437 PolarHBondContact N-OD2 2.97Å; Q396-D437 VanDerWaalsContact CB-OD1 3.24Å; Q396-D437 WeakPolarHBondContact CB-OD1 3.38Å; Q396-D437 VanDerWaalsContact CG-OD1 3.22Å; Q396-D437 WeakPolarHBondContact CG-OD1 3.5Å; Q396-D437 PolarHBondContact N-OD1 3.14Å; Q396-D437 PolarHBondContact N-OD2 3.16Å; D435-D437 PolarHBondContact OD1-N 3.05Å; D435-D437 VanDerWaalsContact OD1-N 3.09Å
438I79Confident86.1Confident65 Ų6557.8 Ų57.833%0.33329%0.285SS..SBendtrans-101.8145.5175.5-81.9170.5000112.2K436 D440 K442 P444K436-I438 PolarHBondContact O-N 2.95Å; I438-D440 PolarHBondContact O-N 3.34Å; I438-K442 HydrophobicContact CG2-CB 3.81Å; I438-P444 HydrophobicContact CD1-CB 4.5Å; I438-P444 HydrophobicContact CG2-CB 4.47Å
439E74.7Confident86Confident102 Ų10260.4 Ų60.448%0.47729%0.291SS..  trans-60.7133.8172.8-65.9173.1153.100111.5T441 K442E439-T441 PolarHBondContact O-N 2.91Å; E439-K442 PolarHBondContact O-N 2.9Å; E439-K442 WeakPolarHBondContact OE2-CE 3.45Å; E439-K442 IonicContact OE2-NZ 3.21Å; E439-K442 PolarHBondContact OE2-NZ 2.83Å
440D77.5Confident85.9Confident98 Ų9861.3 Ų61.352%0.52430%0.296SS..THydrogen-bonded Turntrans-49.5-15.9-179.9-69-23.3000116.1I438I438-D440 PolarHBondContact O-N 3.34Å
441T76.8Confident85.7Confident112 Ų11260.7 Ų60.769%0.68730%0.302SS*.THydrogen-bonded Turntrans-91.5-8.8179.864.10000114.2E439 I464E439-T441 PolarHBondContact O-N 2.91Å; T441-I464 WeakPolarHBondContact O-CD1 3.24Å
442K78.5Confident85.5Confident120 Ų12064.9 Ų64.952%0.52232%0.324SS..SBendtrans-107.2150.9178.2-69.1174.9179.6144.90109.2I438 E439 P444I438-K442 HydrophobicContact CG2-CB 3.81Å; E439-K442 PolarHBondContact O-N 2.9Å; E439-K442 WeakPolarHBondContact OE2-CE 3.45Å; E439-K442 IonicContact OE2-NZ 3.21Å; E439-K442 PolarHBondContact OE2-NZ 2.83Å; K442-P444 VanDerWaalsContact O-CD 3.25Å; K442-P444 WeakPolarHBondContact O-CD 3.37Å
443D82.7Confident85.4Confident49 Ų4966.6 Ų66.626%0.26233%0.329SS..  trans-72.1119.4175.4-172.6-1.1000108.4E445 G463 I464 R466D443-E445 PolarHBondContact O-N 3.24Å; D443-E445 VanDerWaalsContact O-N 3.15Å; D443-E445 PolarHBondContact OD1-N 2.98Å; D443-G463 WeakPolarHBondContact OD2-CA 2.95Å; D443-G463 PolarHBondContact OD2-N 3.04Å; D443-I464 HydrophobicContact CB-CG1 4.25Å; D443-R466 IonicContact OD1-NH2 2.88Å; D443-R466 IonicContact OD2-NH2 2.95Å
444P84.4Confident85.2Confident13 Ų1370.5 Ų70.58%0.08435%0.352CS..  trans-71.43.117527-31000113.2D435 I438 K442 L446D435-P444 HydrophobicContact CB-CB 3.81Å; I438-P444 HydrophobicContact CD1-CB 4.5Å; I438-P444 HydrophobicContact CG2-CB 4.47Å; K442-P444 VanDerWaalsContact O-CD 3.25Å; K442-P444 WeakPolarHBondContact O-CD 3.37Å; P444-L446 HydrophobicContact CB-CD1 4.2Å; P444-L446 HydrophobicContact CB-CD2 4.14Å; P444-L446 HydrophobicContact CB-CG 3.84Å; P444-L446 HydrophobicContact CG-CD1 3.7Å; P444-L446 HydrophobicContact CG-CG 3.72Å; P444-L446 PolarHBondContact O-N 2.91Å; P444-L446 VanDerWaalsContact O-N 3.11Å
445E86.1Confident85.1Confident154 Ų15472.7 Ų72.772%0.7237%0.369SS*.  trans56.628.7176.9-60.9-166.7162.600113.9D443D443-E445 PolarHBondContact O-N 3.24Å; D443-E445 VanDerWaalsContact O-N 3.15Å; D443-E445 PolarHBondContact OD1-N 2.98Å
446L89.2Confident85.3Confident4 Ų473 Ų732%0.02137%0.371CS..PPolyproline II helixtrans-63.5142.7-176.7-56.8171.6000112.4P398 A433 P444 L448 R466 A488 F489 D490P398-L446 HydrophobicContact CB-CD1 3.81Å; P398-L446 HydrophobicContact CB-CD2 3.84Å; P398-L446 HydrophobicContact CB-CG 4.48Å; P398-L446 HydrophobicContact CG-CD2 4.14Å; A433-L446 HydrophobicContact CB-CD1 3.74Å; P444-L446 HydrophobicContact CB-CD1 4.2Å; P444-L446 HydrophobicContact CB-CD2 4.14Å; P444-L446 HydrophobicContact CB-CG 3.84Å; P444-L446 HydrophobicContact CG-CD1 3.7Å; P444-L446 HydrophobicContact CG-CG 3.72Å; P444-L446 PolarHBondContact O-N 2.91Å; P444-L446 VanDerWaalsContact O-N 3.11Å; L446-L448 HydrophobicContact CB-CD1 4.45Å; L446-R466 PolarHBondContact O-NH1 3.37Å; L446-R466 PolarHBondContact O-NH2 2.73Å; L446-A488 HydrophobicContact CD1-CB 4.22Å; L446-F489 WeakPolarHBondContact CA-O 3.4Å; L446-D490 HydrophobicContact CD2-CB 3.59Å
447H89.6Confident85.9Confident116 Ų11667.1 Ų67.154%0.53735%0.345SS..EExtended strand (participates in β ladder)trans-92.7117.7168.1-70.6-69.3000109.8F449 F489H447-F449 HydrophobicContact CB-CE2 4.06Å; H447-F449 HydrophobicContact CB-CZ 4.18Å; H447-F489 PolarHBondContact N-O 3.22Å; H447-F489 PolarHBondContact O-N 3.26Å
448L91.7Very high86.5Confident22 Ų2269.2 Ų69.212%0.11536%0.359CS..EExtended strand (participates in β ladder)trans-97.3128.1178.2-68.888.1000110.4F400 I431 L446 V459 R466 I486 T487 A488F400-L448 HydrophobicContact CE1-CD2 3.95Å; F400-L448 HydrophobicContact CZ-CD2 4.31Å; I431-L448 HydrophobicContact CG2-CD2 3.97Å; L446-L448 HydrophobicContact CB-CD1 4.45Å; L448-V459 HydrophobicContact CB-CG1 3.83Å; L448-V459 HydrophobicContact CD2-CG2 4.32Å; L448-R466 HydrophobicContact CD1-CG 3.98Å; L448-I486 HydrophobicContact CB-CG2 4.12Å; L448-I486 HydrophobicContact CD2-CG2 3.95Å; L448-I486 HydrophobicContact CG-CG2 4.48Å; L448-T487 CarbonylContact C-O 3.57Å; L448-T487 VanDerWaalsContact CA-O 3.28Å; L448-T487 WeakPolarHBondContact CA-O 3.37Å; L448-A488 HydrophobicContact CG-CB 4.43Å
449F91.1Very high87.1Confident105 Ų10567 Ų6746%0.46135%0.348SS..EExtended strand (participates in β ladder)trans-111.4133178-61.4-78.9000110.9H447 I486 T487 F489H447-F449 HydrophobicContact CB-CE2 4.06Å; H447-F449 HydrophobicContact CB-CZ 4.18Å; F449-I486 VanDerWaalsContact O-CA 3.3Å; F449-I486 WeakPolarHBondContact O-CA 3.32Å; F449-T487 PolarHBondContact N-O 3.06Å; F449-T487 PolarHBondContact O-N 3Å; F449-T487 PolarHBondContact O-OG1 2.88Å; F449-F489 HydrophobicContact CD2-CB 4.3Å; F449-F489 HydrophobicContact CE2-CB 3.81Å; F449-F489 HydrophobicContact CE2-CD1 4.26Å; F449-F489 HydrophobicContact CE2-CG 4.34Å
450L91.8Very high87.9Confident22 Ų2263.9 Ų63.912%0.11534%0.336CS..EExtended strand (participates in β ladder)trans-95130.2170.4-70.271.7000107.8D452 T454 F457 V459 L468 F484 I486L450-D452 VanDerWaalsContact C-N 3.34Å; L450-T454 HydrophobicContact CB-CG2 3.83Å; L450-T454 WeakPolarHBondContact O-CG2 3.44Å; L450-F457 HydrophobicContact CD2-CB 4.16Å; L450-V459 HydrophobicContact CD1-CB 4.28Å; L450-V459 HydrophobicContact CD1-CG1 3.85Å; L450-L468 HydrophobicContact CD2-CD2 4.34Å; L450-F484 HydrophobicContact CB-CD2 4.35Å; L450-F484 HydrophobicContact CB-CE2 4.48Å; L450-F484 HydrophobicContact CD2-CD2 4.05Å; L450-F484 HydrophobicContact CD2-CE2 3.45Å; L450-F484 VanDerWaalsContact CD2-CE2 3.45Å; L450-F484 HydrophobicContact CD2-CZ 3.95Å; L450-F484 HydrophobicContact CG-CD2 4.12Å; L450-F484 HydrophobicContact CG-CE2 3.78Å; L450-I486 HydrophobicContact CG-CD1 4.47Å; L450-I486 HydrophobicContact CG-CG1 4.2Å
451N89.7Confident88.3Confident103 Ų10364.1 Ų64.155%0.55134%0.343SS*.SBendtrans-73.5-26-179.873.9-27.7000113.4F484 L485N451-F484 WeakPolarHBondContact OD1-CB 3.19Å; N451-L485 HydrophobicContact CB-CB 4.32Å; N451-L485 PolarHBondContact N-O 2.78Å; N451-L485 PolarHBondContact OD1-N 2.71Å; N451-L485 PolarHBondContact OD1-O 2.89Å
452D88.4Confident88.7Confident88 Ų8863.8 Ų63.847%0.47134%0.341SS..SBendtrans-148.5168.2-177.4-155.6-6.7000110.5L450 T454 F484L450-D452 VanDerWaalsContact C-N 3.34Å; D452-T454 PolarHBondContact O-N 2.61Å; D452-T454 VanDerWaalsContact O-N 3.14Å; D452-F484 HydrophobicContact CB-CB 4.31Å
453Y90.5Very high89Confident58 Ų5859.3 Ų59.323%0.22733%0.329CS..  trans55.526-179.2-55.2-71.7000115.4S455 V456 F457 Q479 Y482 F484Y453-S455 PolarHBondContact O-N 3.4Å; Y453-S455 VanDerWaalsContact O-N 3.16Å; Y453-V456 HydrophobicContact CD1-CG2 4.48Å; Y453-V456 PolarHBondContact O-N 2.9Å; Y453-F457 PolarHBondContact O-N 2.75Å; Y453-Q479 PolarHBondContact OH-NE2 2.84Å; Y453-Y482 AromaticContact CD1-CD1 3.59Å; Y453-Y482 HydrophobicContact CD1-CD1 3.59Å; Y453-Y482 AromaticContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD2-CD1 4.26Å; Y453-Y482 AromaticContact CE1-CD1 3.6Å; Y453-Y482 HydrophobicContact CE1-CD1 3.6Å; Y453-Y482 AromaticContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE2-CD1 4.27Å; Y453-Y482 AromaticContact CG-CD1 3.93Å; Y453-Y482 HydrophobicContact CG-CD1 3.93Å; Y453-Y482 AromaticContact CZ-CD1 3.96Å; Y453-F484 HydrophobicContact CD2-CB 4.05Å; Y453-F484 AromaticContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CG 4.37Å
454T87.5Confident89.3Confident89 Ų8959.7 Ų59.755%0.54633%0.33SS..THydrogen-bonded Turntrans-62.5-18.9176.651.40000113.9L450 D452L450-T454 HydrophobicContact CB-CG2 3.83Å; L450-T454 WeakPolarHBondContact O-CG2 3.44Å; D452-T454 PolarHBondContact O-N 2.61Å; D452-T454 VanDerWaalsContact O-N 3.14Å
455S87.3Confident89.6Confident67 Ų6761.1 Ų61.147%0.46934%0.339SS..THydrogen-bonded Turntrans-79.5-22.5171.9580000113.3Y453 Q472Y453-S455 PolarHBondContact O-N 3.4Å; Y453-S455 VanDerWaalsContact O-N 3.16Å; S455-Q472 VanDerWaalsContact O-CD 3.25Å; S455-Q472 VanDerWaalsContact O-CG 3.27Å; S455-Q472 WeakPolarHBondContact O-CG 3.22Å
456V91.2Very high89.9Confident15 Ų1554.2 Ų54.29%0.09131%0.306CS..THydrogen-bonded Turntrans-100.8-42.3-173.9-174.70000111.3Y453 L470 L471 Q472 V474 Y482Y453-V456 HydrophobicContact CD1-CG2 4.48Å; Y453-V456 PolarHBondContact O-N 2.9Å; V456-L470 HydrophobicContact CG1-CD1 4.4Å; V456-L471 WeakPolarHBondContact O-CB 3.42Å; V456-L471 PolarHBondContact O-N 3.36Å; V456-Q472 PolarHBondContact O-N 2.84Å; V456-V474 HydrophobicContact CG1-CG1 3.68Å; V456-Y482 HydrophobicContact CG1-CE1 4.44Å
457F94.6Very high90.1Very high1 Ų157.7 Ų57.70%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-120.3149.5-179.7-55.2-71.6000111.5I419 L450 Y453 T469 L470 V474 Y482 F484 I502I419-F457 HydrophobicContact CD1-CD1 4.06Å; I419-F457 HydrophobicContact CD1-CE1 3.78Å; I419-F457 HydrophobicContact CG1-CD1 4.43Å; L450-F457 HydrophobicContact CD2-CB 4.16Å; Y453-F457 PolarHBondContact O-N 2.75Å; F457-T469 WeakPolarHBondContact CA-O 3.2Å; F457-L470 HydrophobicContact CD1-CD1 4.13Å; F457-L470 HydrophobicContact CE1-CD1 3.75Å; F457-V474 HydrophobicContact CZ-CG1 4.36Å; F457-Y482 AromaticContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD2 4.27Å; F457-Y482 HydrophobicContact CE2-CE1 4.48Å; F457-Y482 AromaticContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CZ-CD1 4.41Å; F457-Y482 HydrophobicContact CZ-CD2 4.12Å; F457-Y482 HydrophobicContact CZ-CG 4.01Å; F457-F484 AromaticContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CZ 4.27Å; F457-F484 HydrophobicContact CE2-CE1 4.21Å; F457-I502 HydrophobicContact CD1-CD1 3.85Å; F457-I502 HydrophobicContact CD2-CD1 4.04Å; F457-I502 HydrophobicContact CE1-CD1 3.64Å; F457-I502 HydrophobicContact CE1-CG2 4.46Å; F457-I502 HydrophobicContact CE2-CD1 3.84Å; F457-I502 HydrophobicContact CG-CD1 4.05Å; F457-I502 HydrophobicContact CZ-CB 4.47Å; F457-I502 HydrophobicContact CZ-CD1 3.63Å; F457-I502 HydrophobicContact CZ-CG2 4.25Å
458T93.9Very high90.3Very high51 Ų5152.2 Ų52.231%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-134.9158.3168.7-167.30000110.5L468 T469 L471T458-L468 CarbonylContact O-C 3.6Å; T458-L468 WeakPolarHBondContact O-CA 3.42Å; T458-T469 WeakPolarHBondContact CG2-OG1 3.3Å; T458-T469 PolarHBondContact N-O 2.94Å; T458-T469 PolarHBondContact O-N 3.03Å; T458-L471 HydrophobicContact CG2-CD1 4.12Å; T458-L471 HydrophobicContact CG2-CD2 3.73Å; T458-L471 HydrophobicContact CG2-CG 3.67Å
459V93Very high90.3Very high17 Ų1752.5 Ų52.510%0.10330%0.297CS..EExtended strand (participates in β ladder)trans-112.2139177.864.50000109.1L448 L450 R466 Y467 L468L448-V459 HydrophobicContact CB-CG1 3.83Å; L448-V459 HydrophobicContact CD2-CG2 4.32Å; L450-V459 HydrophobicContact CD1-CB 4.28Å; L450-V459 HydrophobicContact CD1-CG1 3.85Å; V459-R466 HydrophobicContact CG2-CB 3.7Å; V459-R466 HydrophobicContact CG2-CG 4.46Å; V459-Y467 WeakPolarHBondContact CA-O 3.25Å; V459-L468 HydrophobicContact CB-CD2 4.13Å
460T90.3Very high90.4Very high38 Ų3847.5 Ų47.523%0.23328%0.275CS..  trans-58.1137.6177.4510000111.1R466 Y467T460-R466 VanDerWaalsContact O-CD 3.25Å; T460-R466 WeakPolarHBondContact O-CD 3.49Å; T460-R466 PolarHBondContact O-NH1 3.26Å; T460-R466 VanDerWaalsContact OG1-CA 3.26Å; T460-R466 WeakPolarHBondContact OG1-CA 3.33Å; T460-Y467 PolarHBondContact N-O 2.98Å; T460-Y467 PolarHBondContact OG1-N 3.26Å
461P85.7Confident90.4Very high103 Ų10350.3 Ų50.367%0.66929%0.29SS*.SBendtrans-85.6-8.5-169.733.5-37.7000115.1R466P461-R466 VanDerWaalsContact CA-NH1 3.35Å; P461-R466 VanDerWaalsContact O-CZ 3.24Å; P461-R466 PolarHBondContact O-NH1 3.28Å; P461-R466 PolarHBondContact O-NH2 3.19Å
462T85.5Confident90.4Very high104 Ų10450 Ų5064%0.63829%0.285SS*.SBendtrans-139.9158.6179.857.50000112R466T462-R466 VanDerWaalsContact C-CZ 3.48Å; T462-R466 VanDerWaalsContact O-CD 3.24Å; T462-R466 WeakPolarHBondContact O-CD 3.39Å; T462-R466 PolarHBondContact O-NE 2.79Å
463G85.8Confident90.5Very high27 Ų2750.5 Ų50.528%0.27829%0.293SS..SBendtrans105.8151176.900000114.3D443 T465 R466D443-G463 WeakPolarHBondContact OD2-CA 2.95Å; D443-G463 PolarHBondContact OD2-N 3.04Å; G463-T465 VanDerWaalsContact C-N 3.26Å; G463-T465 PolarHBondContact O-N 2.83Å; G463-R466 WeakPolarHBondContact O-CD 3.4Å; G463-R466 PolarHBondContact O-NE 2.88Å
464I87.5Confident90.5Very high56 Ų5648.1 Ų48.129%0.28728%0.284SS..SBendtrans-61.1-38.7175.5-59.7166.9000111.2V432 L434 T441 D443V432-I464 HydrophobicContact CG1-CG2 4.22Å; L434-I464 HydrophobicContact CD2-CG2 4.03Å; T441-I464 WeakPolarHBondContact O-CD1 3.24Å; D443-I464 HydrophobicContact CB-CG1 4.25Å
465T90.7Very high90.7Very high43 Ų4347.2 Ų47.226%0.26428%0.276SS..SBendtrans-101.9118.2173.4-54.80000109.9R430 V432 G463 Y467R430-T465 HydrophobicContact CB-CG2 3.6Å; R430-T465 HydrophobicContact CG-CG2 3.8Å; V432-T465 HydrophobicContact CG2-CG2 4.15Å; G463-T465 VanDerWaalsContact C-N 3.26Å; G463-T465 PolarHBondContact O-N 2.83Å; T465-Y467 HydrophobicContact CG2-CE1 4Å; T465-Y467 HydrophobicContact CG2-CE2 4.16Å
466R92.1Very high90.9Very high10 Ų1044.8 Ų44.84%0.03826%0.257CS..EExtended strand (participates in β ladder)trans-98.7153.1174.4-51.7-55.1-175.790.2-4.6110.9I431 D443 L446 L448 V459 T460 P461 T462 G463I431-R466 HydrophobicContact CB-CB 4.45Å; I431-R466 PolarHBondContact N-O 3.48Å; I431-R466 PolarHBondContact O-N 2.79Å; D443-R466 IonicContact OD1-NH2 2.88Å; D443-R466 IonicContact OD2-NH2 2.95Å; L446-R466 PolarHBondContact O-NH1 3.37Å; L446-R466 PolarHBondContact O-NH2 2.73Å; L448-R466 HydrophobicContact CD1-CG 3.98Å; V459-R466 HydrophobicContact CG2-CB 3.7Å; V459-R466 HydrophobicContact CG2-CG 4.46Å; T460-R466 VanDerWaalsContact O-CD 3.25Å; T460-R466 WeakPolarHBondContact O-CD 3.49Å; T460-R466 PolarHBondContact O-NH1 3.26Å; T460-R466 VanDerWaalsContact OG1-CA 3.26Å; T460-R466 WeakPolarHBondContact OG1-CA 3.33Å; P461-R466 VanDerWaalsContact CA-NH1 3.35Å; P461-R466 VanDerWaalsContact O-CZ 3.24Å; P461-R466 PolarHBondContact O-NH1 3.28Å; P461-R466 PolarHBondContact O-NH2 3.19Å; T462-R466 VanDerWaalsContact C-CZ 3.48Å; T462-R466 VanDerWaalsContact O-CD 3.24Å; T462-R466 WeakPolarHBondContact O-CD 3.39Å; T462-R466 PolarHBondContact O-NE 2.79Å; G463-R466 WeakPolarHBondContact O-CD 3.4Å; G463-R466 PolarHBondContact O-NE 2.88Å
467Y93.6Very high90.9Very high76 Ų7647 Ų4730%0.29827%0.266SS..EExtended strand (participates in β ladder)trans-125.9141.2-179.1-58-80.8000110P428 L429 R430 V459 T460 T465P428-Y467 HydrophobicContact CB-CD1 3.79Å; P428-Y467 HydrophobicContact CB-CE1 3.97Å; P428-Y467 HydrophobicContact CG-CD1 4.11Å; P428-Y467 HydrophobicContact CG-CE1 3.75Å; L429-Y467 WeakPolarHBondContact O-CD1 3.1Å; R430-Y467 HydrophobicContact CG-CE1 4Å; V459-Y467 WeakPolarHBondContact CA-O 3.25Å; T460-Y467 PolarHBondContact N-O 2.98Å; T460-Y467 PolarHBondContact OG1-N 3.26Å; T465-Y467 HydrophobicContact CG2-CE1 4Å; T465-Y467 HydrophobicContact CG2-CE2 4.16Å
468L93.5Very high90.6Very high1 Ų154.7 Ų54.71%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-82.2132.5168.2-75.1169.6000109.9T418 I419 L429 I431 L450 T458 V459 F484 I486 V500 I502T418-L468 WeakPolarHBondContact CA-O 3.47Å; I419-L468 HydrophobicContact CB-CB 4.15Å; I419-L468 HydrophobicContact CG1-CB 3.71Å; I419-L468 PolarHBondContact N-O 2.81Å; L429-L468 HydrophobicContact CD2-CD1 4.32Å; I431-L468 HydrophobicContact CD1-CD1 3.71Å; I431-L468 HydrophobicContact CD1-CD2 4.34Å; I431-L468 HydrophobicContact CD1-CG 3.63Å; L450-L468 HydrophobicContact CD2-CD2 4.34Å; T458-L468 CarbonylContact O-C 3.6Å; T458-L468 WeakPolarHBondContact O-CA 3.42Å; V459-L468 HydrophobicContact CB-CD2 4.13Å; L468-F484 HydrophobicContact CD1-CZ 4.15Å; L468-I486 HydrophobicContact CD2-CD1 4.4Å; L468-V500 HydrophobicContact CD1-CG1 3.84Å; L468-I502 HydrophobicContact CD1-CD1 4.31Å
469T92.7Very high90.5Very high28 Ų2855.1 Ų55.117%0.17230%0.301CS..EExtended strand (participates in β ladder)trans-125.1152.4174.856.50000111.2A417 T418 F457 T458A417-T469 VanDerWaalsContact O-CA 3.32Å; A417-T469 WeakPolarHBondContact O-CA 3.42Å; T418-T469 HydrophobicContact CG2-CG2 3.77Å; F457-T469 WeakPolarHBondContact CA-O 3.2Å; T458-T469 WeakPolarHBondContact CG2-OG1 3.3Å; T458-T469 PolarHBondContact N-O 2.94Å; T458-T469 PolarHBondContact O-N 3.03Å
470L93.4Very high90.3Very high1 Ų159.8 Ų59.81%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-79.3123.9179.2-166.467.4000110.7A413 G416 A417 V456 F457 Q472 V474A413-L470 HydrophobicContact CB-CD2 4.44Å; G416-L470 WeakPolarHBondContact CA-O 3.1Å; G416-L470 PolarHBondContact N-O 2.8Å; A417-L470 PolarHBondContact O-N 3.09Å; V456-L470 HydrophobicContact CG1-CD1 4.4Å; F457-L470 HydrophobicContact CD1-CD1 4.13Å; F457-L470 HydrophobicContact CE1-CD1 3.75Å; L470-Q472 WeakPolarHBondContact CD1-O 3.17Å; L470-Q472 WeakPolarHBondContact CG-O 3.49Å; L470-V474 HydrophobicContact CD1-CG1 3.81Å; L470-V474 HydrophobicContact CD1-CG2 4.23Å; L470-V474 HydrophobicContact CD2-CG2 4.38Å
471L91.6Very high90.5Very high80 Ų8061.9 Ų61.942%0.41933%0.334SS..SBendtrans-95.4-34.2173.9-78.8-178.7000113V415 V456 T458V415-L471 WeakPolarHBondContact CG1-O 3.38Å; V456-L471 WeakPolarHBondContact O-CB 3.42Å; V456-L471 PolarHBondContact O-N 3.36Å; T458-L471 HydrophobicContact CG2-CD1 4.12Å; T458-L471 HydrophobicContact CG2-CD2 3.73Å; T458-L471 HydrophobicContact CG2-CG 3.67Å
472Q89.6Confident90.8Very high97 Ų9757.7 Ų57.745%0.45331%0.305SS..SBendtrans-126.4143.1177.2-74.4-179.6-9.900109.4S455 V456 L470 V474S455-Q472 VanDerWaalsContact O-CD 3.25Å; S455-Q472 VanDerWaalsContact O-CG 3.27Å; S455-Q472 WeakPolarHBondContact O-CG 3.22Å; V456-Q472 PolarHBondContact O-N 2.84Å; L470-Q472 WeakPolarHBondContact CD1-O 3.17Å; L470-Q472 WeakPolarHBondContact CG-O 3.49Å; Q472-V474 PolarHBondContact O-N 2.87Å
473P90Very high91.2Very high98 Ų9856.5 Ų56.564%0.63630%0.298SS*.  trans-56140.9174.226-32.7000109.6
474V91.8Very high91.6Very high8 Ų855.5 Ų55.55%0.04829%0.286CS..  trans-104.4138.9176.2-76.10000108.6I409 E411 V456 F457 L470 Q472 Y482 V504I409-V474 HydrophobicContact CG2-CG2 4.16Å; E411-V474 WeakPolarHBondContact CB-O 3.47Å; V456-V474 HydrophobicContact CG1-CG1 3.68Å; F457-V474 HydrophobicContact CZ-CG1 4.36Å; L470-V474 HydrophobicContact CD1-CG1 3.81Å; L470-V474 HydrophobicContact CD1-CG2 4.23Å; L470-V474 HydrophobicContact CD2-CG2 4.38Å; Q472-V474 PolarHBondContact O-N 2.87Å; V474-Y482 HydrophobicContact CG1-CE2 4.08Å; V474-V504 HydrophobicContact CB-CG2 4.31Å; V474-V504 HydrophobicContact CG2-CG1 4.09Å; V474-V504 HydrophobicContact CG2-CG2 4.27Å
475D90.2Very high91.9Very high71 Ų7155.6 Ų55.638%0.3829%0.286SS..  trans-113.4120.4176.7179-17.2000107.4E477 E478 Q479D475-E477 VanDerWaalsContact C-N 3.34Å; D475-E477 WeakPolarHBondContact OD1-CB 3.46Å; D475-E477 PolarHBondContact OD1-N 3.22Å; D475-E478 HydrophobicContact CB-CB 4.2Å; D475-E478 PolarHBondContact OD1-N 3.05Å; D475-Q479 PolarHBondContact O-N 3.34Å; D475-Q479 VanDerWaalsContact O-N 3.08Å
476R92.5Very high92.1Very high16 Ų1653.5 Ų53.56%0.0627%0.274CS..THydrogen-bonded Turntrans-72.3-31.6-176.6-169.8-160.36992.27111.3E411 E478 Q479 Q480 V504 D506 A541 E543E411-R476 HydrophobicContact CB-CB 4.28Å; E411-R476 IonicContact OE1-NE 3.19Å; E411-R476 WeakPolarHBondContact OE2-CB 3.1Å; E411-R476 PolarHBondContact OE2-N 3.05Å; R476-E478 VanDerWaalsContact C-N 3.25Å; R476-E478 PolarHBondContact O-N 2.62Å; R476-Q479 CarbonylContact O-C 3.55Å; R476-Q479 PolarHBondContact O-N 3.32Å; R476-Q480 HydrophobicContact CG-CG 4.21Å; R476-Q480 WeakPolarHBondContact O-CG 3.47Å; R476-V504 HydrophobicContact CB-CB 4.28Å; R476-V504 HydrophobicContact CB-CG1 3.81Å; R476-V504 HydrophobicContact CG-CB 4.17Å; R476-V504 HydrophobicContact CG-CG1 4.17Å; R476-D506 IonicContact CZ-OD1 3.69Å; R476-D506 IonicContact NE-OD1 2.69Å; R476-D506 PolarHBondContact NE-OD1 2.97Å; R476-D506 IonicContact NH2-OD1 2.88Å; R476-D506 PolarHBondContact NH2-OD1 3.18Å; R476-D506 VanDerWaalsContact NH2-OD1 3.16Å; R476-A541 PolarHBondContact NH2-O 2.75Å; R476-E543 IonicContact CZ-OE2 3.51Å; R476-E543 IonicContact NH1-OE2 3.62Å; R476-E543 PolarHBondContact NH1-OE2 3.22Å
477E90.9Very high92.1Very high61 Ų6154.6 Ų54.629%0.28528%0.282SS..THydrogen-bonded Turntrans-67.7-29.8179.5-79.963.9-98.900111.4D475 N510 A541D475-E477 VanDerWaalsContact C-N 3.34Å; D475-E477 WeakPolarHBondContact OD1-CB 3.46Å; D475-E477 PolarHBondContact OD1-N 3.22Å; E477-N510 PolarHBondContact OE2-ND2 3.11Å; E477-A541 HydrophobicContact CG-CB 3.61Å
478E89.2Confident92.1Very high162 Ų16251 Ų5176%0.75727%0.268SS*.THydrogen-bonded Turntrans-79.1-50.5172.3-170.3174.2-163.300111.8D475 R476D475-E478 HydrophobicContact CB-CB 4.2Å; D475-E478 PolarHBondContact OD1-N 3.05Å; R476-E478 VanDerWaalsContact C-N 3.25Å; R476-E478 PolarHBondContact O-N 2.62Å
479Q90.2Very high92Very high61 Ų6153.4 Ų53.429%0.28528%0.278SS..  trans-150.5116.1-177.9-173.3173.4-24.800113.9Y453 D475 R476 T481 Y482Y453-Q479 PolarHBondContact OH-NE2 2.84Å; D475-Q479 PolarHBondContact O-N 3.34Å; D475-Q479 VanDerWaalsContact O-N 3.08Å; R476-Q479 CarbonylContact O-C 3.55Å; R476-Q479 PolarHBondContact O-N 3.32Å; Q479-T481 PolarHBondContact NE2-O 3.04Å; Q479-Y482 HydrophobicContact CB-CE2 4.36Å; Q479-Y482 HydrophobicContact CG-CE1 4.32Å; Q479-Y482 HydrophobicContact CG-CE2 4.16Å
480Q90Very high91.8Very high114 Ų11453.5 Ų53.553%0.53328%0.277SS..SBendtrans-81.7-26.5-174.1-59.6177.513.100114.8R476 V504R476-Q480 HydrophobicContact CG-CG 4.21Å; R476-Q480 WeakPolarHBondContact O-CG 3.47Å; Q480-V504 PolarHBondContact O-N 3.19Å
481T93Very high91.2Very high82 Ų8255.7 Ų55.750%0.50330%0.301SS..EExtended strand (participates in β ladder)trans-139.4137-173.756.30000112.1Q479 I502Q479-T481 PolarHBondContact NE2-O 3.04Å; T481-I502 WeakPolarHBondContact CA-O 3.41Å
482Y93.8Very high90.7Very high15 Ų1556.8 Ų56.86%0.05931%0.31CS..EExtended strand (participates in β ladder)trans-119.4122174.9-64.4-98000109.3Y453 V456 F457 V474 Q479 N501 I502 V504Y453-Y482 AromaticContact CD1-CD1 3.59Å; Y453-Y482 HydrophobicContact CD1-CD1 3.59Å; Y453-Y482 AromaticContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD1-CE1 3.91Å; Y453-Y482 HydrophobicContact CD2-CD1 4.26Å; Y453-Y482 AromaticContact CE1-CD1 3.6Å; Y453-Y482 HydrophobicContact CE1-CD1 3.6Å; Y453-Y482 AromaticContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE1-CE1 3.9Å; Y453-Y482 HydrophobicContact CE2-CD1 4.27Å; Y453-Y482 AromaticContact CG-CD1 3.93Å; Y453-Y482 HydrophobicContact CG-CD1 3.93Å; Y453-Y482 AromaticContact CZ-CD1 3.96Å; V456-Y482 HydrophobicContact CG1-CE1 4.44Å; F457-Y482 AromaticContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD1 3.81Å; F457-Y482 HydrophobicContact CE2-CD2 4.27Å; F457-Y482 HydrophobicContact CE2-CE1 4.48Å; F457-Y482 AromaticContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CE2-CG 3.69Å; F457-Y482 HydrophobicContact CZ-CD1 4.41Å; F457-Y482 HydrophobicContact CZ-CD2 4.12Å; F457-Y482 HydrophobicContact CZ-CG 4.01Å; V474-Y482 HydrophobicContact CG1-CE2 4.08Å; Q479-Y482 HydrophobicContact CB-CE2 4.36Å; Q479-Y482 HydrophobicContact CG-CE1 4.32Å; Q479-Y482 HydrophobicContact CG-CE2 4.16Å; Y482-N501 CarbonylContact O-C 3.45Å; Y482-N501 WeakPolarHBondContact O-CA 3.4Å; Y482-I502 PolarHBondContact N-O 2.99Å; Y482-I502 PolarHBondContact O-N 2.95Å; Y482-V504 HydrophobicContact CD2-CG2 4.06Å; Y482-V504 HydrophobicContact CE2-CG2 3.73Å
483T93.5Very high90.3Very high79 Ų7954.7 Ų54.749%0.48530%0.301SS..EExtended strand (participates in β ladder)trans-124122.5178.5-64.50000109.4V499 V500 N501T483-V499 HydrophobicContact CG2-CG1 3.98Å; T483-V500 WeakPolarHBondContact CA-O 3.3Å; T483-N501 WeakPolarHBondContact CB-OD1 3.45Å; T483-N501 WeakPolarHBondContact CG2-OD1 3.15Å; T483-N501 PolarHBondContact OG1-OD1 2.86Å
484F94.1Very high90.3Very high6 Ų656.2 Ų56.23%0.02630%0.299CS..EExtended strand (participates in β ladder)trans-148.9172.7179.358.2-89.2000111.5L450 N451 D452 Y453 F457 L468 I486 V500 I502L450-F484 HydrophobicContact CB-CD2 4.35Å; L450-F484 HydrophobicContact CB-CE2 4.48Å; L450-F484 HydrophobicContact CD2-CD2 4.05Å; L450-F484 HydrophobicContact CD2-CE2 3.45Å; L450-F484 VanDerWaalsContact CD2-CE2 3.45Å; L450-F484 HydrophobicContact CD2-CZ 3.95Å; L450-F484 HydrophobicContact CG-CD2 4.12Å; L450-F484 HydrophobicContact CG-CE2 3.78Å; N451-F484 WeakPolarHBondContact OD1-CB 3.19Å; D452-F484 HydrophobicContact CB-CB 4.31Å; Y453-F484 HydrophobicContact CD2-CB 4.05Å; Y453-F484 AromaticContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CD1 3.95Å; Y453-F484 HydrophobicContact CD2-CG 4.37Å; F457-F484 AromaticContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CE1 3.8Å; F457-F484 HydrophobicContact CD2-CZ 4.27Å; F457-F484 HydrophobicContact CE2-CE1 4.21Å; L468-F484 HydrophobicContact CD1-CZ 4.15Å; F484-I486 HydrophobicContact CD2-CG1 4.06Å; F484-I486 HydrophobicContact CE2-CD1 3.89Å; F484-I486 HydrophobicContact CE2-CG1 3.78Å; F484-V500 HydrophobicContact CD2-CB 4.33Å; F484-V500 HydrophobicContact CE1-CB 4.45Å; F484-V500 HydrophobicContact CE1-CG1 4.33Å; F484-V500 HydrophobicContact CE2-CB 3.96Å; F484-V500 HydrophobicContact CE2-CG1 4.29Å; F484-V500 HydrophobicContact CE2-CG2 4.31Å; F484-V500 HydrophobicContact CZ-CB 4.03Å; F484-V500 HydrophobicContact CZ-CG1 3.9Å; F484-V500 PolarHBondContact N-O 3.13Å; F484-V500 PolarHBondContact O-N 3.15Å; F484-I502 HydrophobicContact CE1-CD1 3.79Å; F484-I502 HydrophobicContact CE1-CG1 4.37Å; F484-I502 HydrophobicContact CZ-CD1 4.06Å
485L94.3Very high90.2Very high58 Ų5856.1 Ų56.130%0.30430%0.299SS..EExtended strand (participates in β ladder)trans-107.1144.1178.2-58.5173.5000110.8N451 P497 V498 V499N451-L485 HydrophobicContact CB-CB 4.32Å; N451-L485 PolarHBondContact N-O 2.78Å; N451-L485 PolarHBondContact OD1-N 2.71Å; N451-L485 PolarHBondContact OD1-O 2.89Å; L485-P497 HydrophobicContact CB-CB 4.28Å; L485-P497 HydrophobicContact CD1-CB 4.21Å; L485-V498 CarbonylContact C-O 3.58Å; L485-V498 VanDerWaalsContact CA-O 3.27Å; L485-V498 WeakPolarHBondContact CA-O 3.48Å; L485-V499 HydrophobicContact CD2-CB 4.27Å; L485-V499 HydrophobicContact CD2-CG2 3.55Å
486I93.8Very high90.2Very high0 Ų060.6 Ų60.60%032%0.317CS..EExtended strand (participates in β ladder)trans-117.1137169.4-56-175.7000109.4F400 I431 L448 F449 L450 L468 F484 P497 V498 V500F400-I486 HydrophobicContact CE1-CG2 4.29Å; F400-I486 WeakPolarHBondContact CE2-O 3.42Å; F400-I486 HydrophobicContact CZ-CB 4.32Å; F400-I486 HydrophobicContact CZ-CG2 3.82Å; I431-I486 HydrophobicContact CD1-CD1 3.77Å; L448-I486 HydrophobicContact CB-CG2 4.12Å; L448-I486 HydrophobicContact CD2-CG2 3.95Å; L448-I486 HydrophobicContact CG-CG2 4.48Å; F449-I486 VanDerWaalsContact O-CA 3.3Å; F449-I486 WeakPolarHBondContact O-CA 3.32Å; L450-I486 HydrophobicContact CG-CD1 4.47Å; L450-I486 HydrophobicContact CG-CG1 4.2Å; L468-I486 HydrophobicContact CD2-CD1 4.4Å; F484-I486 HydrophobicContact CD2-CG1 4.06Å; F484-I486 HydrophobicContact CE2-CD1 3.89Å; F484-I486 HydrophobicContact CE2-CG1 3.78Å; I486-P497 WeakPolarHBondContact O-CA 3.45Å; I486-V498 HydrophobicContact CB-CG1 4.19Å; I486-V498 PolarHBondContact N-O 3.02Å; I486-V498 PolarHBondContact O-N 2.86Å; I486-V500 HydrophobicContact CD1-CG2 3.52Å; I486-V500 HydrophobicContact CG1-CG2 3.74Å
487T93.4Very high90.2Very high33 Ų3363 Ų6320%0.20234%0.335CS..EExtended strand (participates in β ladder)trans-121.1145.8172.846.70000109.3L448 F449 P497L448-T487 CarbonylContact C-O 3.57Å; L448-T487 VanDerWaalsContact CA-O 3.28Å; L448-T487 WeakPolarHBondContact CA-O 3.37Å; F449-T487 PolarHBondContact N-O 3.06Å; F449-T487 PolarHBondContact O-N 3Å; F449-T487 PolarHBondContact O-OG1 2.88Å; T487-P497 HydrophobicContact CG2-CB 3.69Å
488A92.6Very high90.3Very high0 Ų060.5 Ų60.50%032%0.324CS..EExtended strand (participates in β ladder)trans-111.3140.4175.100000110P398 F400 A433 L446 L448 E494 S495P398-A488 HydrophobicContact CB-CB 4.32Å; P398-A488 HydrophobicContact CG-CB 4.39Å; P398-A488 WeakPolarHBondContact CG-O 3.46Å; F400-A488 HydrophobicContact CE2-CB 4.24Å; F400-A488 HydrophobicContact CZ-CB 3.89Å; A433-A488 HydrophobicContact CB-CB 3.99Å; L446-A488 HydrophobicContact CD1-CB 4.22Å; L448-A488 HydrophobicContact CG-CB 4.43Å; A488-E494 CarbonylContact O-C 3.6Å; A488-E494 WeakPolarHBondContact O-CA 3.32Å; A488-S495 PolarHBondContact N-OG 3.36Å; A488-S495 PolarHBondContact O-N 2.87Å
489F91.3Very high90.5Very high52 Ų5255.4 Ų55.423%0.22830%0.304CS..EExtended strand (participates in β ladder)trans-131.4130-177.3179.4-119.7000110.5L446 H447 F449 G491 Q493 E494L446-F489 WeakPolarHBondContact CA-O 3.4Å; H447-F489 PolarHBondContact N-O 3.22Å; H447-F489 PolarHBondContact O-N 3.26Å; F449-F489 HydrophobicContact CD2-CB 4.3Å; F449-F489 HydrophobicContact CE2-CB 3.81Å; F449-F489 HydrophobicContact CE2-CD1 4.26Å; F449-F489 HydrophobicContact CE2-CG 4.34Å; F489-G491 WeakPolarHBondContact CZ-O 3.45Å; F489-Q493 WeakPolarHBondContact CA-O 3.26Å; F489-Q493 WeakPolarHBondContact CD2-O 3.38Å; F489-E494 HydrophobicContact CB-CG 4.44Å; F489-E494 HydrophobicContact CD2-CG 3.55Å; F489-E494 HydrophobicContact CE2-CG 4.21Å; F489-E494 HydrophobicContact CG-CG 4.36Å
490D88.1Confident90.7Very high29 Ų2952.5 Ų52.516%0.15529%0.29CS..  trans-93.3-6.2-179.365.240.9000114N394 P398 L446 V492 Q493N394-D490 PolarHBondContact ND2-OD1 3.25Å; P398-D490 WeakPolarHBondContact CD-OD2 3.24Å; P398-D490 HydrophobicContact CG-CB 4.38Å; L446-D490 HydrophobicContact CD2-CB 3.59Å; D490-V492 WeakPolarHBondContact OD1-CA 3.25Å; D490-V492 PolarHBondContact OD1-N 2.82Å; D490-Q493 PolarHBondContact N-O 3.44Å; D490-Q493 PolarHBondContact OD1-N 2.99Å; D490-Q493 WeakPolarHBondContact OD2-CB 3.24Å; D490-Q493 PolarHBondContact OD2-N 3.43Å
491G82Confident90.9Very high48 Ų4849.3 Ų49.350%0.49528%0.277SS..SBendtrans111.9-20.9-173.400000114.2F489F489-G491 WeakPolarHBondContact CZ-O 3.45Å
492V80.2Confident90.9Very high102 Ų10245.6 Ų45.662%0.61825%0.254SS*.SBendtrans-127-48179.5-174.40000110.5N394 D490N394-V492 WeakPolarHBondContact ND2-CG2 3.14Å; D490-V492 WeakPolarHBondContact OD1-CA 3.25Å; D490-V492 PolarHBondContact OD1-N 2.82Å
493Q81.9Confident90.9Very high54 Ų5450.5 Ų50.525%0.25227%0.272SS..  trans-119.7149.7-174.2-55.517488.300112.7N394 N395 Q396 F489 D490N394-Q493 PolarHBondContact OD1-NE2 2.85Å; N395-Q493 PolarHBondContact O-NE2 2.89Å; N395-Q493 PolarHBondContact O-OE1 2.87Å; Q396-Q493 PolarHBondContact O-NE2 2.87Å; F489-Q493 WeakPolarHBondContact CA-O 3.26Å; F489-Q493 WeakPolarHBondContact CD2-O 3.38Å; D490-Q493 PolarHBondContact N-O 3.44Å; D490-Q493 PolarHBondContact OD1-N 2.99Å; D490-Q493 WeakPolarHBondContact OD2-CB 3.24Å; D490-Q493 PolarHBondContact OD2-N 3.43Å
494E88.7Confident90.8Very high130 Ų13046.9 Ų46.961%0.60725%0.25SS*.BIsolated β-bridgetrans-107.5143.2178-69.3-178.9-179.300110.7A488 F489A488-E494 CarbonylContact O-C 3.6Å; A488-E494 WeakPolarHBondContact O-CA 3.32Å; F489-E494 HydrophobicContact CB-CG 4.44Å; F489-E494 HydrophobicContact CD2-CG 3.55Å; F489-E494 HydrophobicContact CE2-CG 4.21Å; F489-E494 HydrophobicContact CG-CG 4.36Å
495S91.1Very high90.6Very high6 Ų649 Ų494%0.04226%0.261CS..PPolyproline II helixtrans-74.1160.1172.878.50000111.8P398 F400 A488P398-S495 VanDerWaalsContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CA 3.25Å; P398-S495 WeakPolarHBondContact O-CB 3.46Å; F400-S495 VanDerWaalsContact CE2-OG 3.24Å; F400-S495 WeakPolarHBondContact CE2-OG 3.16Å; A488-S495 PolarHBondContact N-OG 3.36Å; A488-S495 PolarHBondContact O-N 2.87Å
496E88.8Confident90.4Very high164 Ų16447.7 Ų47.777%0.76625%0.254SS*.PPolyproline II helixtrans-59.1139.2162.1-69.3-63.8136.700110.9
497P93.2Very high90.2Very high68 Ų6848.2 Ų48.244%0.44226%0.259SS..PPolyproline II helixtrans-71.2137.8-178.126.1-32.7000112.3L485 I486 T487L485-P497 HydrophobicContact CB-CB 4.28Å; L485-P497 HydrophobicContact CD1-CB 4.21Å; I486-P497 WeakPolarHBondContact O-CA 3.45Å; T487-P497 HydrophobicContact CG2-CB 3.69Å
498V93.2Very high90Very high7 Ų747.4 Ų47.44%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-115.2140.7-179.678.10000112.1F400 M402 P403 Y405 L485 I486F400-V498 HydrophobicContact CD1-CG1 4.03Å; F400-V498 HydrophobicContact CD2-CB 3.81Å; F400-V498 HydrophobicContact CD2-CG1 3.67Å; F400-V498 HydrophobicContact CE1-CG1 4.13Å; F400-V498 HydrophobicContact CE2-CB 4.23Å; F400-V498 HydrophobicContact CE2-CG1 3.75Å; F400-V498 HydrophobicContact CG-CB 4.16Å; F400-V498 HydrophobicContact CG-CG1 3.82Å; F400-V498 HydrophobicContact CZ-CG1 4.01Å; M402-V498 WeakPolarHBondContact O-CG2 3.32Å; P403-V498 WeakPolarHBondContact O-CG2 3.12Å; Y405-V498 HydrophobicContact CD2-CG1 4.1Å; Y405-V498 HydrophobicContact CD2-CG2 4.33Å; Y405-V498 HydrophobicContact CE2-CG1 3.97Å; Y405-V498 HydrophobicContact CE2-CG2 4.27Å; L485-V498 CarbonylContact C-O 3.58Å; L485-V498 VanDerWaalsContact CA-O 3.27Å; L485-V498 WeakPolarHBondContact CA-O 3.48Å; I486-V498 HydrophobicContact CB-CG1 4.19Å; I486-V498 PolarHBondContact N-O 3.02Å; I486-V498 PolarHBondContact O-N 2.86Å
499V94Very high89.8Confident55 Ų5550.7 Ų50.733%0.33327%0.27SS..EExtended strand (participates in β ladder)trans-81.2133.9-178.9-177.10000111.6S404 Y405 T483 L485S404-V499 CarbonylContact C-O 3.55Å; S404-V499 VanDerWaalsContact CA-O 3.32Å; S404-V499 WeakPolarHBondContact CA-O 3.25Å; Y405-V499 PolarHBondContact N-O 2.94Å; T483-V499 HydrophobicContact CG2-CG1 3.98Å; L485-V499 HydrophobicContact CD2-CB 4.27Å; L485-V499 HydrophobicContact CD2-CG2 3.55Å
500V94.3Very high89.7Confident0 Ų050.7 Ų50.70%027%0.273CS..EExtended strand (participates in β ladder)trans-119.6125.6171-175.30000110Y405 L468 T483 F484 I486 I502Y405-V500 HydrophobicContact CD2-CG2 4.26Å; Y405-V500 WeakPolarHBondContact O-CA 3.48Å; L468-V500 HydrophobicContact CD1-CG1 3.84Å; T483-V500 WeakPolarHBondContact CA-O 3.3Å; F484-V500 HydrophobicContact CD2-CB 4.33Å; F484-V500 HydrophobicContact CE1-CB 4.45Å; F484-V500 HydrophobicContact CE1-CG1 4.33Å; F484-V500 HydrophobicContact CE2-CB 3.96Å; F484-V500 HydrophobicContact CE2-CG1 4.29Å; F484-V500 HydrophobicContact CE2-CG2 4.31Å; F484-V500 HydrophobicContact CZ-CB 4.03Å; F484-V500 HydrophobicContact CZ-CG1 3.9Å; F484-V500 PolarHBondContact N-O 3.13Å; F484-V500 PolarHBondContact O-N 3.15Å; I486-V500 HydrophobicContact CD1-CG2 3.52Å; I486-V500 HydrophobicContact CG1-CG2 3.74Å; V500-I502 HydrophobicContact CG1-CG1 4.16Å
501N93.7Very high89.8Confident48 Ų4851.7 Ų51.726%0.25728%0.28SS..EExtended strand (participates in β ladder)trans-116.6117.8178.1-70.7-36.1000110.1Y405 Q406 G407 Y482 T483Y405-N501 PolarHBondContact O-N 2.94Å; Q406-N501 CarbonylContact C-O 3.57Å; Q406-N501 WeakPolarHBondContact CA-O 3.42Å; Q406-N501 PolarHBondContact NE2-O 3.26Å; G407-N501 PolarHBondContact N-O 2.73Å; Y482-N501 CarbonylContact O-C 3.45Å; Y482-N501 WeakPolarHBondContact O-CA 3.4Å; T483-N501 WeakPolarHBondContact CB-OD1 3.45Å; T483-N501 WeakPolarHBondContact CG2-OD1 3.15Å; T483-N501 PolarHBondContact OG1-OD1 2.86Å
502I93.6Very high90.4Very high3 Ų349.4 Ų49.42%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-111.6128.1177.7-55.7176.3000109G407 I409 I419 F457 L468 T481 Y482 F484 V500G407-I502 WeakPolarHBondContact O-CA 3.32Å; I409-I502 HydrophobicContact CG2-CG2 3.91Å; I419-I502 HydrophobicContact CD1-CD1 4.39Å; I419-I502 HydrophobicContact CD1-CG2 4.41Å; I419-I502 HydrophobicContact CG1-CD1 4.2Å; I419-I502 HydrophobicContact CG2-CD1 4.42Å; I419-I502 HydrophobicContact CG2-CG1 4.38Å; I419-I502 HydrophobicContact CG2-CG2 4.26Å; F457-I502 HydrophobicContact CD1-CD1 3.85Å; F457-I502 HydrophobicContact CD2-CD1 4.04Å; F457-I502 HydrophobicContact CE1-CD1 3.64Å; F457-I502 HydrophobicContact CE1-CG2 4.46Å; F457-I502 HydrophobicContact CE2-CD1 3.84Å; F457-I502 HydrophobicContact CG-CD1 4.05Å; F457-I502 HydrophobicContact CZ-CB 4.47Å; F457-I502 HydrophobicContact CZ-CD1 3.63Å; F457-I502 HydrophobicContact CZ-CG2 4.25Å; L468-I502 HydrophobicContact CD1-CD1 4.31Å; T481-I502 WeakPolarHBondContact CA-O 3.41Å; Y482-I502 PolarHBondContact N-O 2.99Å; Y482-I502 PolarHBondContact O-N 2.95Å; F484-I502 HydrophobicContact CE1-CD1 3.79Å; F484-I502 HydrophobicContact CE1-CG1 4.37Å; F484-I502 HydrophobicContact CZ-CD1 4.06Å; V500-I502 HydrophobicContact CG1-CG1 4.16Å
503R92.9Very high90.9Very high118 Ų11848.4 Ų48.445%0.44525%0.251SS..EExtended strand (participates in β ladder)trans-105.7128.5173-174.1176.6-179.6-173.4-1.2110.1G407 Y408 I409G407-R503 PolarHBondContact O-N 3.32Å; Y408-R503 WeakPolarHBondContact CA-O 3.35Å; Y408-R503 HydrophobicContact CD1-CB 4Å; Y408-R503 HydrophobicContact CE1-CB 4.22Å; I409-R503 PolarHBondContact N-O 2.94Å; I409-R503 VanDerWaalsContact N-O 3.14Å
504V92.5Very high91.4Very high4 Ų446.5 Ų46.52%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-83.8133174-169.80000109I409 E411 V474 R476 Q480 Y482I409-V504 HydrophobicContact CG2-CG2 4.26Å; I409-V504 CarbonylContact O-C 3.59Å; I409-V504 WeakPolarHBondContact O-CA 3.34Å; E411-V504 HydrophobicContact CB-CG1 3.71Å; V474-V504 HydrophobicContact CB-CG2 4.31Å; V474-V504 HydrophobicContact CG2-CG1 4.09Å; V474-V504 HydrophobicContact CG2-CG2 4.27Å; R476-V504 HydrophobicContact CB-CB 4.28Å; R476-V504 HydrophobicContact CB-CG1 3.81Å; R476-V504 HydrophobicContact CG-CB 4.17Å; R476-V504 HydrophobicContact CG-CG1 4.17Å; Q480-V504 PolarHBondContact O-N 3.19Å; Y482-V504 HydrophobicContact CD2-CG2 4.06Å; Y482-V504 HydrophobicContact CE2-CG2 3.73Å
505M90.1Very high91.4Very high50 Ų5044.4 Ų44.425%0.24624%0.239CC..EExtended strand (participates in β ladder)trans-101.8136.8-179.7-66.8-176.355.600110.3I409 L410 E411 L423 L425I409-M505 PolarHBondContact O-N 3.17Å; L410-M505 HydrophobicContact CD1-CB 3.96Å; E411-M505 PolarHBondContact N-O 3.48Å; L423-M505 WeakPolarHBondContact O-CE 3.27Å; L425-M505 HydrophobicContact CD1-SD 4.18Å; L425-M505 HydrophobicContact CD2-SD 3.8Å; L425-M505 HydrophobicContact CG-SD 4.01Å
506D89.4Confident91.3Very high30 Ų3049.4 Ų49.416%0.1626%0.262CS..PPolyproline II helixtrans-62.9135.4-178.2-169.886.7000112.6E411 R476 E543 N546E411-D506 VanDerWaalsContact OE1-CA 3.23Å; E411-D506 WeakPolarHBondContact OE1-CA 3.44Å; R476-D506 IonicContact CZ-OD1 3.69Å; R476-D506 IonicContact NE-OD1 2.69Å; R476-D506 PolarHBondContact NE-OD1 2.97Å; R476-D506 IonicContact NH2-OD1 2.88Å; R476-D506 PolarHBondContact NH2-OD1 3.18Å; R476-D506 VanDerWaalsContact NH2-OD1 3.16Å; D506-E543 HydrophobicContact CB-CB 3.95Å; D506-E543 VanDerWaalsContact CG-N 3.33Å; D506-E543 VanDerWaalsContact OD1-CB 3.31Å; D506-E543 WeakPolarHBondContact OD1-CB 3.25Å; D506-E543 PolarHBondContact OD1-N 3.05Å; D506-E543 PolarHBondContact OD2-N 3.01Å; D506-N546 PolarHBondContact OD2-ND2 2.63Å
507A88.5Confident91.2Very high12 Ų1248.6 Ų48.610%0.09926%0.261CS..  trans-124.8143.1167.200000108.8L410 E411 S412 D509L410-A507 HydrophobicContact CD1-CB 4.41Å; L410-A507 HydrophobicContact CD2-CB 4.49Å; L410-A507 HydrophobicContact CG-CB 4.21Å; E411-A507 HydrophobicContact CG-CB 3.88Å; E411-A507 PolarHBondContact OE1-N 3.47Å; S412-A507 WeakPolarHBondContact OG-CB 3.39Å; A507-D509 PolarHBondContact O-N 3.24Å
508N90.1Very high91Very high15 Ų1547.5 Ų47.58%0.0826%0.255CS..SBendtrans-70.178.6179.1-163.453.2000110.6D542 N546 D592 E598 R600N508-D542 VanDerWaalsContact CA-OD2 3.29Å; N508-D542 WeakPolarHBondContact CA-OD2 3.47Å; N508-D542 PolarHBondContact OD1-OD2 2.62Å; N508-D542 VanDerWaalsContact OD1-OD2 3.04Å; N508-N546 HydrophobicContact CB-CB 4.09Å; N508-N546 WeakPolarHBondContact OD1-CA 3.11Å; N508-N546 WeakPolarHBondContact OD1-CB 3.2Å; N508-N546 PolarHBondContact OD1-O 2.84Å; N508-D592 PolarHBondContact ND2-OD2 3.26Å; N508-D592 PolarHBondContact OD1-OD2 2.86Å; N508-E598 PolarHBondContact ND2-O 3.27Å; N508-R600 PolarHBondContact O-NE 2.68Å; N508-R600 PolarHBondContact O-NH2 2.88Å
509D88.9Confident90.9Very high69 Ų6949.1 Ų49.137%0.36926%0.261SS..  trans-118.6-11.6-17194.8-23000114.9A507 D542 R600A507-D509 PolarHBondContact O-N 3.24Å; D509-D542 PolarHBondContact N-OD2 3.17Å; D509-D542 VanDerWaalsContact N-OD2 3.14Å; D509-R600 PolarHBondContact O-NH1 2.94Å
510N89Confident90.6Very high53 Ų5352 Ų5228%0.28327%0.274SS..SBendtrans-85.6176.6162.7-68.2-82.7000110.3E477 D540 A541 D542 R600E477-N510 PolarHBondContact OE2-ND2 3.11Å; N510-D540 WeakPolarHBondContact CB-OD1 3.4Å; N510-A541 HydrophobicContact CB-CB 4.45Å; N510-D542 VanDerWaalsContact CB-OD1 3.28Å; N510-D542 WeakPolarHBondContact CB-OD1 3.27Å; N510-D542 PolarHBondContact N-OD1 3.37Å; N510-D542 VanDerWaalsContact N-OD1 3.16Å; N510-D542 PolarHBondContact N-OD2 3.25Å; N510-D542 VanDerWaalsContact N-OD2 3.16Å; N510-D542 PolarHBondContact ND2-OD1 2.86Å; N510-R600 WeakPolarHBondContact O-CD 3.49Å; N510-R600 PolarHBondContact O-NH1 3.41Å
511T90.1Very high90.3Very high49 Ų4952.9 Ų52.930%0.30128%0.28SS..  trans-140.5137.2176.5-64.60000106.8T513 R600T511-T513 PolarHBondContact O-N 2.81Å; T511-T513 PolarHBondContact O-OG1 3.42Å; T511-R600 HydrophobicContact CG2-CB 4.01Å; T511-R600 WeakPolarHBondContact OG1-CD 3.37Å
512P94.2Very high89.9Confident0 Ų056.5 Ų56.50%029%0.291CS..  trans-58.5117.9-179.4-21.329.5000108.8A538 D540 I549 A590 D592 S602P512-A538 HydrophobicContact CB-CB 4.41Å; P512-D540 HydrophobicContact CB-CB 4.39Å; P512-D540 WeakPolarHBondContact CD-OD2 3.31Å; P512-D540 HydrophobicContact CG-CB 4.35Å; P512-D540 WeakPolarHBondContact CG-OD2 3.46Å; P512-I549 HydrophobicContact CB-CD1 4.14Å; P512-I549 HydrophobicContact CB-CG1 4.09Å; P512-I549 HydrophobicContact CB-CG2 4.24Å; P512-I549 HydrophobicContact CG-CG1 4.42Å; P512-A590 HydrophobicContact CB-CB 4.07Å; P512-D592 HydrophobicContact CG-CB 3.95Å; P512-S602 WeakPolarHBondContact O-CB 3.24Å; P512-S602 PolarHBondContact O-OG 2.81Å
513T91Very high89.5Confident81 Ų8156.4 Ų56.450%0.49729%0.291SS..BIsolated β-bridgetrans-122.3129.1-170.3-61.50000111T511 A538 V539T511-T513 PolarHBondContact O-N 2.81Å; T511-T513 PolarHBondContact O-OG1 3.42Å; T513-A538 CarbonylContact O-C 3.6Å; T513-A538 VanDerWaalsContact O-CA 3.22Å; T513-A538 WeakPolarHBondContact O-CA 3.44Å; T513-V539 PolarHBondContact N-O 2.87Å; T513-V539 PolarHBondContact O-N 2.8Å
514F92.1Very high89Confident15 Ų1554 Ų547%0.06628%0.282CS..  trans-78.9139.1170.7-64.6-78.8000110.5E516 L536 A538 Y551 V588 A590 S602 C604F514-E516 VanDerWaalsContact C-N 3.28Å; F514-E516 PolarHBondContact O-N 2.83Å; F514-L536 HydrophobicContact CE1-CB 4.1Å; F514-A538 HydrophobicContact CD1-CB 3.9Å; F514-A538 HydrophobicContact CE1-CB 3.9Å; F514-A538 HydrophobicContact CG-CB 4.27Å; F514-A538 HydrophobicContact CZ-CB 4.28Å; F514-Y551 HydrophobicContact CE1-CD1 4.07Å; F514-Y551 AromaticContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CZ-CD1 4.09Å; F514-Y551 HydrophobicContact CZ-CE1 4.1Å; F514-V588 HydrophobicContact CZ-CG1 4.34Å; F514-A590 HydrophobicContact CE1-CB 4.18Å; F514-A590 HydrophobicContact CE2-CB 3.58Å; F514-A590 HydrophobicContact CZ-CB 3.38Å; F514-S602 WeakPolarHBondContact CD2-OG 3.35Å; F514-C604 HydrophobicContact CB-CB 4.14Å; F514-C604 HydrophobicContact CD1-CB 4.45Å; F514-C604 HydrophobicContact CD2-CB 3.69Å; F514-C604 HydrophobicContact CE2-CB 4.14Å; F514-C604 HydrophobicContact CG-CB 3.85Å
515P89Confident88.5Confident86 Ų8656.3 Ų56.356%0.55830%0.296SS*.SBendtrans-56.9-40.1175.4-27.133.1000113.6Y519 T537P515-Y519 WeakPolarHBondContact CD-OH 3.19Å; P515-T537 WeakPolarHBondContact CD-O 3.27Å
516E88Confident88Confident110 Ų11059 Ų5951%0.51431%0.311SS..  trans-115.8142176.7-55.2-68.6163.500111.2F514 S518 Y519F514-E516 VanDerWaalsContact C-N 3.28Å; F514-E516 PolarHBondContact O-N 2.83Å; E516-S518 VanDerWaalsContact C-N 3.28Å; E516-Y519 HydrophobicContact CB-CD1 4.14Å; E516-Y519 HydrophobicContact CB-CD2 4.45Å; E516-Y519 HydrophobicContact CB-CE1 3.63Å; E516-Y519 HydrophobicContact CB-CE2 3.96Å; E516-Y519 HydrophobicContact CG-CD1 4.26Å; E516-Y519 HydrophobicContact CG-CE1 3.67Å; E516-Y519 PolarHBondContact N-OH 3.42Å; E516-Y519 VanDerWaalsContact N-OH 3.15Å; E516-Y519 WeakPolarHBondContact O-CE2 3.4Å
517I86.5Confident87.6Confident147 Ų14759.8 Ų59.875%0.75432%0.315SS*.SBendtrans-69.9-26.4172.645.2168.3000112.5C604 T605I517-C604 WeakPolarHBondContact O-CA 3.05Å; I517-T605 PolarHBondContact O-N 3.22Å; I517-T605 VanDerWaalsContact O-N 3.07Å
518S90.4Very high87.2Confident45 Ų4562.2 Ų62.232%0.31533%0.331SS..EExtended strand (participates in β ladder)trans-149.2147.8174.957.90000112.4E516 T605E516-S518 VanDerWaalsContact C-N 3.28Å; S518-T605 CarbonylContact C-O 3.54Å; S518-T605 WeakPolarHBondContact CA-O 3.13Å; S518-T605 WeakPolarHBondContact CB-O 3.27Å
519Y90.3Very high86.9Confident41 Ų4165 Ų6516%0.16135%0.35CS..EExtended strand (participates in β ladder)trans-122.4129.6177.5-59.9-92.3000109.7P515 E516 I534 L536 C604 T605 V606 Y607P515-Y519 WeakPolarHBondContact CD-OH 3.19Å; E516-Y519 HydrophobicContact CB-CD1 4.14Å; E516-Y519 HydrophobicContact CB-CD2 4.45Å; E516-Y519 HydrophobicContact CB-CE1 3.63Å; E516-Y519 HydrophobicContact CB-CE2 3.96Å; E516-Y519 HydrophobicContact CG-CD1 4.26Å; E516-Y519 HydrophobicContact CG-CE1 3.67Å; E516-Y519 PolarHBondContact N-OH 3.42Å; E516-Y519 VanDerWaalsContact N-OH 3.15Å; E516-Y519 WeakPolarHBondContact O-CE2 3.4Å; Y519-I534 HydrophobicContact CD1-CD1 3.9Å; Y519-I534 HydrophobicContact CG-CD1 3.86Å; Y519-L536 HydrophobicContact CD2-CD2 3.71Å; Y519-L536 HydrophobicContact CE2-CD2 3.72Å; Y519-L536 HydrophobicContact CG-CD2 4.3Å; Y519-C604 HydrophobicContact CE2-CB 4.34Å; Y519-T605 PolarHBondContact N-O 3.03Å; Y519-V606 HydrophobicContact CD2-CG2 4.37Å; Y519-V606 CarbonylContact O-C 3.59Å; Y519-V606 WeakPolarHBondContact O-CA 3.49Å; Y519-Y607 PolarHBondContact O-N 2.86Å
520D87.3Confident86.6Confident115 Ų11564 Ų6462%0.61536%0.357SS*.EExtended strand (participates in β ladder)trans-96.6122.6170.9-64.7-65.3000109.5Y607D520-Y607 CarbonylContact C-O 3.48Å; D520-Y607 WeakPolarHBondContact CA-O 3.4Å; D520-Y607 WeakPolarHBondContact OD1-CB 3.5Å
521V88.8Confident86.4Confident20 Ų2064.6 Ų64.612%0.12136%0.36CS..EExtended strand (participates in β ladder)trans-127.3127.2-176.7-172.50000109.8V523 V533 I534 V606 Y607 I608 E609V521-V523 HydrophobicContact CG1-CG1 4.37Å; V521-V533 HydrophobicContact CB-CG1 4.39Å; V521-V533 HydrophobicContact CG1-CG1 3.73Å; V521-I534 HydrophobicContact CG2-CB 4.01Å; V521-I534 HydrophobicContact CG2-CD1 3.63Å; V521-I534 HydrophobicContact CG2-CG1 4.36Å; V521-I534 HydrophobicContact CG2-CG2 4.26Å; V521-V606 HydrophobicContact CG2-CG1 3.86Å; V521-Y607 PolarHBondContact N-O 3.34Å; V521-I608 HydrophobicContact CB-CG1 4.43Å; V521-I608 CarbonylContact O-C 3.6Å; V521-I608 VanDerWaalsContact O-CA 3.27Å; V521-I608 WeakPolarHBondContact O-CA 3.14Å; V521-E609 PolarHBondContact O-N 3.08Å
522Y84.6Confident86.1Confident124 Ų12466 Ų6649%0.48637%0.371SS..EExtended strand (participates in β ladder)trans-95.8119172.6-56.9-68.8000109.4E609 L611Y522-E609 WeakPolarHBondContact CA-O 3.44Å; Y522-E609 HydrophobicContact CD1-CB 3.95Å; Y522-E609 HydrophobicContact CD1-CG 4.46Å; Y522-E609 HydrophobicContact CE1-CB 4.16Å; Y522-E609 WeakPolarHBondContact CE1-OE2 3.18Å; Y522-L611 HydrophobicContact CD1-CD1 3.64Å; Y522-L611 HydrophobicContact CD1-CG 4.02Å; Y522-L611 HydrophobicContact CE1-CD1 4.45Å; Y522-L611 HydrophobicContact CG-CD1 3.79Å; Y522-L611 HydrophobicContact CG-CG 4.47Å
523V85.9Confident85.9Confident1 Ų166.9 Ų66.91%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-106148.3172.5-64.30000109.1V521 M527 V533 L578 I608 E609 V610 L611V521-V523 HydrophobicContact CG1-CG1 4.37Å; V523-M527 HydrophobicContact CB-SD 3.68Å; V523-M527 HydrophobicContact CG1-CE 4.45Å; V523-M527 HydrophobicContact CG1-SD 4.02Å; V523-V533 HydrophobicContact CG1-CB 4.36Å; V523-V533 HydrophobicContact CG1-CG1 3.69Å; V523-V533 HydrophobicContact CG1-CG2 4.05Å; V523-L578 HydrophobicContact CB-CD1 4.18Å; V523-L578 HydrophobicContact CG2-CD1 3.89Å; V523-I608 HydrophobicContact CB-CG2 4.21Å; V523-I608 HydrophobicContact CG1-CG2 3.78Å; V523-I608 HydrophobicContact CG2-CG2 3.42Å; V523-I608 VanDerWaalsContact CG2-CG2 3.42Å; V523-E609 PolarHBondContact N-O 3.19Å; V523-V610 HydrophobicContact CG2-CB 4.21Å; V523-V610 HydrophobicContact CG2-CG1 4.41Å; V523-V610 HydrophobicContact CG2-CG2 3.7Å; V523-V610 CarbonylContact O-C 3.58Å; V523-V610 VanDerWaalsContact O-CA 3.27Å; V523-V610 WeakPolarHBondContact O-CA 3.38Å; V523-L611 PolarHBondContact O-N 3.25Å
524Y83.2Confident85.8Confident68 Ų6864.5 Ų64.527%0.26736%0.361SS..EExtended strand (participates in β ladder)trans-110.3149.3-175.9-57.7-84.5000110.5D526 M527 L611 P612 N614Y524-D526 WeakPolarHBondContact CB-OD1 2.97Å; Y524-D526 PolarHBondContact O-N 3.03Å; Y524-D526 VanDerWaalsContact O-N 3.16Å; Y524-M527 PolarHBondContact N-SD 2.81Å; Y524-M527 VanDerWaalsContact O-CB 3.31Å; Y524-M527 WeakPolarHBondContact O-CB 3.14Å; Y524-M527 VanDerWaalsContact O-CG 3.29Å; Y524-M527 WeakPolarHBondContact O-CG 3.34Å; Y524-M527 PolarHBondContact O-N 2.97Å; Y524-L611 WeakPolarHBondContact CA-O 3.38Å; Y524-L611 HydrophobicContact CD1-CB 3.79Å; Y524-L611 HydrophobicContact CE1-CB 3.81Å; Y524-L611 HydrophobicContact CE1-CD1 4.17Å; Y524-P612 VanDerWaalsContact CD1-O 3.27Å; Y524-P612 WeakPolarHBondContact CD1-O 3.3Å; Y524-N614 HydrophobicContact CE1-CB 4.11Å
525T81.8Confident85.8Confident52 Ų5269.4 Ų69.432%0.31938%0.383SS..THydrogen-bonded Turntrans-68.5-11.3-177.250.90000115M527 V580 V610 L611T525-M527 VanDerWaalsContact C-N 3.34Å; T525-V580 HydrophobicContact CG2-CB 4.29Å; T525-V580 HydrophobicContact CG2-CG2 3.35Å; T525-V610 HydrophobicContact CG2-CG1 3.56Å; T525-L611 PolarHBondContact N-O 3.14Å
526D79.1Confident85.9Confident106 Ų10665.3 Ų65.357%0.56736%0.357SS*.THydrogen-bonded Turntrans-89.23.217360.6-24.4000113.4Y524Y524-D526 WeakPolarHBondContact CB-OD1 2.97Å; Y524-D526 PolarHBondContact O-N 3.03Å; Y524-D526 VanDerWaalsContact O-N 3.16Å
527M81.3Confident86.1Confident46 Ų4663.5 Ų63.523%0.22735%0.354CS..PPolyproline II helixtrans-73137.3171.8-64.6179.470.500111.7V523 Y524 T525 D531 I572V523-M527 HydrophobicContact CB-SD 3.68Å; V523-M527 HydrophobicContact CG1-CE 4.45Å; V523-M527 HydrophobicContact CG1-SD 4.02Å; Y524-M527 PolarHBondContact N-SD 2.81Å; Y524-M527 VanDerWaalsContact O-CB 3.31Å; Y524-M527 WeakPolarHBondContact O-CB 3.14Å; Y524-M527 VanDerWaalsContact O-CG 3.29Å; Y524-M527 WeakPolarHBondContact O-CG 3.34Å; Y524-M527 PolarHBondContact O-N 2.97Å; T525-M527 VanDerWaalsContact C-N 3.34Å; M527-D531 WeakPolarHBondContact CA-OD2 3.04Å; M527-D531 HydrophobicContact CB-CB 4.38Å; M527-D531 HydrophobicContact CE-CB 3.9Å; M527-I572 HydrophobicContact CB-CD1 3.66Å; M527-I572 HydrophobicContact CE-CD1 4.17Å
528S80.4Confident86.3Confident64 Ų6457 Ų5745%0.44832%0.321SS..PPolyproline II helixtrans-88.9152.5-178.6-55.60000111.9G530 D531S528-G530 PolarHBondContact O-N 2.98Å; S528-D531 PolarHBondContact N-OD2 2.79Å; S528-D531 WeakPolarHBondContact O-CB 3.48Å; S528-D531 VanDerWaalsContact O-CG 3.26Å; S528-D531 PolarHBondContact O-N 2.87Å
529P83.4Confident86.3Confident72 Ų7259.4 Ų59.447%0.46833%0.334SS..THydrogen-bonded Turntrans-56.4130.2171-2433.4000111.6
530G82.9Confident86.4Confident50 Ų5058.4 Ų58.452%0.51533%0.332SS..THydrogen-bonded Turntrans94-11.6-171.700000114.9S528 S532 I572S528-G530 PolarHBondContact O-N 2.98Å; G530-S532 PolarHBondContact O-N 2.75Å; G530-I572 PolarHBondContact N-O 3.01Å
531D83.9Confident86.5Confident65 Ų6555.3 Ų55.335%0.34832%0.322SS..  trans-62.7138.3173.4-73-8.1000110.2M527 S528 V533 S571 I572M527-D531 WeakPolarHBondContact CA-OD2 3.04Å; M527-D531 HydrophobicContact CB-CB 4.38Å; M527-D531 HydrophobicContact CE-CB 3.9Å; S528-D531 PolarHBondContact N-OD2 2.79Å; S528-D531 WeakPolarHBondContact O-CB 3.48Å; S528-D531 VanDerWaalsContact O-CG 3.26Å; S528-D531 PolarHBondContact O-N 2.87Å; D531-V533 PolarHBondContact O-N 2.74Å; D531-S571 WeakPolarHBondContact O-CA 3.34Å; D531-I572 HydrophobicContact CB-CD1 4.38Å; D531-I572 PolarHBondContact O-N 3.26Å
532S84.8Confident86.7Confident77 Ų7754.8 Ų54.854%0.53832%0.319SS..EExtended strand (participates in β ladder)trans-68.8128178.953.40000110.3G530G530-S532 PolarHBondContact O-N 2.75Å
533V88.6Confident86.9Confident20 Ų2053.5 Ų53.512%0.12132%0.317CS..EExtended strand (participates in β ladder)trans-90.7-57.8175.7174.90000109.5V521 V523 D531 F561 V570 I572 I608V521-V533 HydrophobicContact CB-CG1 4.39Å; V521-V533 HydrophobicContact CG1-CG1 3.73Å; V523-V533 HydrophobicContact CG1-CB 4.36Å; V523-V533 HydrophobicContact CG1-CG1 3.69Å; V523-V533 HydrophobicContact CG1-CG2 4.05Å; D531-V533 PolarHBondContact O-N 2.74Å; V533-F561 HydrophobicContact CG2-CD1 3.91Å; V533-F561 HydrophobicContact CG2-CE1 3.8Å; V533-V570 HydrophobicContact CB-CG1 4.44Å; V533-V570 WeakPolarHBondContact CB-O 3.22Å; V533-V570 PolarHBondContact N-O 3.2Å; V533-I572 HydrophobicContact CG2-CG1 3.82Å; V533-I608 HydrophobicContact CG1-CD1 3.83Å; V533-I608 HydrophobicContact CG1-CG1 4.34Å
534I90.6Very high86.9Confident31 Ų3156.2 Ų56.216%0.15935%0.345CS..EExtended strand (participates in β ladder)trans-155145.8178.7-174.6165.1000108.1Y519 V521 L536 V570 V606Y519-I534 HydrophobicContact CD1-CD1 3.9Å; Y519-I534 HydrophobicContact CG-CD1 3.86Å; V521-I534 HydrophobicContact CG2-CB 4.01Å; V521-I534 HydrophobicContact CG2-CD1 3.63Å; V521-I534 HydrophobicContact CG2-CG1 4.36Å; V521-I534 HydrophobicContact CG2-CG2 4.26Å; I534-L536 HydrophobicContact CD1-CD2 4.14Å; I534-L536 HydrophobicContact CG1-CD2 4.34Å; I534-L536 HydrophobicContact CG2-CD2 4.47Å; I534-L536 HydrophobicContact CG2-CG 4.48Å; I534-V570 HydrophobicContact CG2-CB 3.9Å; I534-V570 HydrophobicContact CG2-CG2 4.09Å; I534-V570 PolarHBondContact N-O 3.15Å; I534-V570 WeakPolarHBondContact O-CA 3.37Å; I534-V570 WeakPolarHBondContact O-CB 3.33Å; I534-V570 PolarHBondContact O-N 2.99Å; I534-V606 HydrophobicContact CG2-CG1 4.05Å
535Q91.6Very high87.1Confident117 Ų11755.9 Ų55.955%0.54735%0.353SS..EExtended strand (participates in β ladder)trans-103.5114168.6-172.5171.8-5.500108.3T567 L569Q535-T567 PolarHBondContact NE2-O 2.93Å; Q535-T567 VanDerWaalsContact NE2-O 3.15Å; Q535-L569 HydrophobicContact CB-CD1 3.89Å; Q535-L569 HydrophobicContact CG-CB 4.46Å; Q535-L569 HydrophobicContact CG-CD1 4.29Å
536L91.7Very high87.5Confident1 Ų154.5 Ų54.51%0.00534%0.343CS..  trans-84.1136.8175.9-62.6173.1000109.3F514 Y519 I534 I563 G568 V570 V588 V606F514-L536 HydrophobicContact CE1-CB 4.1Å; Y519-L536 HydrophobicContact CD2-CD2 3.71Å; Y519-L536 HydrophobicContact CE2-CD2 3.72Å; Y519-L536 HydrophobicContact CG-CD2 4.3Å; I534-L536 HydrophobicContact CD1-CD2 4.14Å; I534-L536 HydrophobicContact CG1-CD2 4.34Å; I534-L536 HydrophobicContact CG2-CD2 4.47Å; I534-L536 HydrophobicContact CG2-CG 4.48Å; L536-I563 HydrophobicContact CD1-CD1 4.17Å; L536-G568 PolarHBondContact N-O 2.79Å; L536-G568 WeakPolarHBondContact O-CA 3.43Å; L536-V570 HydrophobicContact CD1-CG2 3.96Å; L536-V570 HydrophobicContact CG-CG2 4.27Å; L536-V588 HydrophobicContact CD1-CB 3.85Å; L536-V588 HydrophobicContact CD1-CG1 3.72Å; L536-V588 HydrophobicContact CD1-CG2 3.7Å; L536-V606 HydrophobicContact CD1-CG2 3.93Å; L536-V606 HydrophobicContact CD2-CG2 3.89Å; L536-V606 HydrophobicContact CG-CG2 4.42Å
537T90.6Very high87.9Confident72 Ų7250.2 Ų50.244%0.44232%0.324SS..  trans-131.4113.217654.50000107.9P515P515-T537 WeakPolarHBondContact CD-O 3.27Å
538A91.7Very high88.4Confident9 Ų953.2 Ų53.27%0.07434%0.337CS..  trans-91.5154.6161.200000108.8P512 T513 F514 I549 Y551 A590P512-A538 HydrophobicContact CB-CB 4.41Å; T513-A538 CarbonylContact O-C 3.6Å; T513-A538 VanDerWaalsContact O-CA 3.22Å; T513-A538 WeakPolarHBondContact O-CA 3.44Å; F514-A538 HydrophobicContact CD1-CB 3.9Å; F514-A538 HydrophobicContact CE1-CB 3.9Å; F514-A538 HydrophobicContact CG-CB 4.27Å; F514-A538 HydrophobicContact CZ-CB 4.28Å; A538-I549 VanDerWaalsContact C-CD1 3.45Å; A538-I549 HydrophobicContact CB-CD1 3.96Å; A538-I549 HydrophobicContact CB-CG2 4.31Å; A538-I549 WeakPolarHBondContact O-CD1 3.49Å; A538-Y551 HydrophobicContact CB-CE1 3.91Å; A538-Y551 PolarHBondContact N-OH 3.23Å; A538-Y551 PolarHBondContact O-OH 3.01Å; A538-A590 HydrophobicContact CB-CB 3.59Å
539V90.5Very high88.9Confident97 Ų9751.4 Ų51.459%0.58832%0.323SS*.BIsolated β-bridgetrans-121.1134.8177.5-173.60000108T513T513-V539 PolarHBondContact N-O 2.87Å; T513-V539 PolarHBondContact O-N 2.8Å
540D92.2Very high89.4Confident20 Ų2048.9 Ų48.911%0.10731%0.307CS..  trans-133.2132.9171.7-159.6-38.3000106.7N510 P512 D542 I549N510-D540 WeakPolarHBondContact CB-OD1 3.4Å; P512-D540 HydrophobicContact CB-CB 4.39Å; P512-D540 WeakPolarHBondContact CD-OD2 3.31Å; P512-D540 HydrophobicContact CG-CB 4.35Å; P512-D540 WeakPolarHBondContact CG-OD2 3.46Å; D540-D542 PolarHBondContact OD1-N 2.82Å; D540-I549 HydrophobicContact CB-CD1 3.96Å; D540-I549 HydrophobicContact CB-CG1 4.04Å
541A89.7Confident90Very high49 Ų4947.5 Ų47.541%0.40529%0.286SS..  trans-93.9-11.2-172.100000112.8R476 E477 N510R476-A541 PolarHBondContact NH2-O 2.75Å; E477-A541 HydrophobicContact CG-CB 3.61Å; N510-A541 HydrophobicContact CB-CB 4.45Å
542D92.2Very high90.5Very high10 Ų1050.1 Ų50.15%0.05330%0.296CS..SBendtrans-66.7159.9-178.6-62.5-20.6000112.4N508 D509 N510 D540 N546 G547N508-D542 VanDerWaalsContact CA-OD2 3.29Å; N508-D542 WeakPolarHBondContact CA-OD2 3.47Å; N508-D542 PolarHBondContact OD1-OD2 2.62Å; N508-D542 VanDerWaalsContact OD1-OD2 3.04Å; D509-D542 PolarHBondContact N-OD2 3.17Å; D509-D542 VanDerWaalsContact N-OD2 3.14Å; N510-D542 VanDerWaalsContact CB-OD1 3.28Å; N510-D542 WeakPolarHBondContact CB-OD1 3.27Å; N510-D542 PolarHBondContact N-OD1 3.37Å; N510-D542 VanDerWaalsContact N-OD1 3.16Å; N510-D542 PolarHBondContact N-OD2 3.25Å; N510-D542 VanDerWaalsContact N-OD2 3.16Å; N510-D542 PolarHBondContact ND2-OD1 2.86Å; D540-D542 PolarHBondContact OD1-N 2.82Å; D542-N546 HydrophobicContact CB-CB 3.48Å; D542-N546 VanDerWaalsContact CB-CB 3.48Å; D542-G547 VanDerWaalsContact O-CA 3.25Å; D542-G547 WeakPolarHBondContact O-CA 3.35Å; D542-G547 PolarHBondContact O-N 3.48Å
543E88.1Confident90.9Very high97 Ų9748.1 Ų48.145%0.45328%0.279SS..SBendtrans-85.8142.5-177.1-161176.2169.900112.7R476 D506 S545 N546R476-E543 IonicContact CZ-OE2 3.51Å; R476-E543 IonicContact NH1-OE2 3.62Å; R476-E543 PolarHBondContact NH1-OE2 3.22Å; D506-E543 HydrophobicContact CB-CB 3.95Å; D506-E543 VanDerWaalsContact CG-N 3.33Å; D506-E543 VanDerWaalsContact OD1-CB 3.31Å; D506-E543 WeakPolarHBondContact OD1-CB 3.25Å; D506-E543 PolarHBondContact OD1-N 3.05Å; D506-E543 PolarHBondContact OD2-N 3.01Å; E543-S545 PolarHBondContact O-N 3Å; E543-N546 WeakPolarHBondContact O-CB 3.39Å; E543-N546 PolarHBondContact O-N 3.3Å
544G87.1Confident91Very high57 Ų5750.7 Ų50.759%0.58829%0.292SS*.THydrogen-bonded Turntrans63.7-128.5168.800000113N546 G547 E548G544-N546 PolarHBondContact O-N 3.3Å; G544-G547 PolarHBondContact O-N 3.27Å; G544-E548 WeakPolarHBondContact O-CB 3.33Å; G544-E548 PolarHBondContact O-N 2.97Å
545S87.6Confident91Very high62 Ų6254 Ų5443%0.43431%0.313SS..THydrogen-bonded Turntrans-68-20.3-178.151.70000113.9E543 N593 A594E543-S545 PolarHBondContact O-N 3Å; S545-N593 CarbonylContact O-C 3.46Å; S545-N593 WeakPolarHBondContact O-CA 3.46Å; S545-N593 WeakPolarHBondContact O-CB 2.99Å; S545-N593 PolarHBondContact O-N 3.45Å; S545-N593 VanDerWaalsContact O-N 3.15Å; S545-A594 PolarHBondContact O-N 2.8Å
546N88.9Confident90.7Very high22 Ų2249.7 Ų49.712%0.11830%0.3CS..THydrogen-bonded Turntrans-72.9-39.6177.3-66.2-10.5000110.2D506 N508 D542 E543 G544 D592D506-N546 PolarHBondContact OD2-ND2 2.63Å; N508-N546 HydrophobicContact CB-CB 4.09Å; N508-N546 WeakPolarHBondContact OD1-CA 3.11Å; N508-N546 WeakPolarHBondContact OD1-CB 3.2Å; N508-N546 PolarHBondContact OD1-O 2.84Å; D542-N546 HydrophobicContact CB-CB 3.48Å; D542-N546 VanDerWaalsContact CB-CB 3.48Å; E543-N546 WeakPolarHBondContact O-CB 3.39Å; E543-N546 PolarHBondContact O-N 3.3Å; G544-N546 PolarHBondContact O-N 3.3Å; N546-D592 WeakPolarHBondContact O-CB 3.26Å
547G88.3Confident89.8Confident16 Ų1649.9 Ų49.917%0.16530%0.303CS..THydrogen-bonded Turntrans-90.3-5.217400000116.2D542 G544 I549D542-G547 VanDerWaalsContact O-CA 3.25Å; D542-G547 WeakPolarHBondContact O-CA 3.35Å; D542-G547 PolarHBondContact O-N 3.48Å; G544-G547 PolarHBondContact O-N 3.27Å; G547-I549 WeakPolarHBondContact O-CG1 3.45Å; G547-I549 PolarHBondContact O-N 2.87Å
548E90.6Very high89.3Confident109 Ų10954.4 Ų54.451%0.50932%0.316SS..  trans-79.5112-177.4-169-173.3-163.400111.6G544 D592 N593G544-E548 WeakPolarHBondContact O-CB 3.33Å; G544-E548 PolarHBondContact O-N 2.97Å; E548-D592 CarbonylContact O-C 3.49Å; E548-D592 WeakPolarHBondContact O-CA 3.45Å; E548-N593 HydrophobicContact CB-CB 4.31Å; E548-N593 WeakPolarHBondContact CG-ND2 3.44Å; E548-N593 PolarHBondContact O-N 3.04Å; E548-N593 PolarHBondContact O-ND2 3.09Å; E548-N593 PolarHBondContact OE2-ND2 2.93Å
549I92.4Very high88.9Confident27 Ų2756.7 Ų56.714%0.13834%0.341CS..  trans-92.4141.2-170.9-52.9172.9000112.3P512 A538 D540 G547 Y551 A590P512-I549 HydrophobicContact CB-CD1 4.14Å; P512-I549 HydrophobicContact CB-CG1 4.09Å; P512-I549 HydrophobicContact CB-CG2 4.24Å; P512-I549 HydrophobicContact CG-CG1 4.42Å; A538-I549 VanDerWaalsContact C-CD1 3.45Å; A538-I549 HydrophobicContact CB-CD1 3.96Å; A538-I549 HydrophobicContact CB-CG2 4.31Å; A538-I549 WeakPolarHBondContact O-CD1 3.49Å; D540-I549 HydrophobicContact CB-CD1 3.96Å; D540-I549 HydrophobicContact CB-CG1 4.04Å; G547-I549 WeakPolarHBondContact O-CG1 3.45Å; G547-I549 PolarHBondContact O-N 2.87Å; I549-Y551 HydrophobicContact CG2-CE1 4.04Å; I549-Y551 HydrophobicContact CG2-CE2 4.07Å; I549-A590 HydrophobicContact CG2-CB 3.74Å
550S94.1Very high88.8Confident19 Ų1953.9 Ų53.913%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-124.5134.2169.865.30000112.7K565 A590 S591S550-K565 WeakPolarHBondContact CA-O 3.42Å; S550-K565 VanDerWaalsContact CB-CE 3.47Å; S550-A590 WeakPolarHBondContact O-CA 3.27Å; S550-S591 PolarHBondContact N-O 3.21Å; S550-S591 PolarHBondContact O-N 2.91Å; S550-S591 PolarHBondContact OG-O 3.39Å; S550-S591 VanDerWaalsContact OG-O 3.11Å
551Y94.9Very high88.8Confident20 Ų2053.3 Ų53.38%0.07832%0.319CS..EExtended strand (participates in β ladder)trans-104.6142.1-176.4-57.3-85000113F514 A538 I549 I563 K565 G568 Q589 A590F514-Y551 HydrophobicContact CE1-CD1 4.07Å; F514-Y551 AromaticContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CE1-CE1 3.74Å; F514-Y551 HydrophobicContact CZ-CD1 4.09Å; F514-Y551 HydrophobicContact CZ-CE1 4.1Å; A538-Y551 HydrophobicContact CB-CE1 3.91Å; A538-Y551 PolarHBondContact N-OH 3.23Å; A538-Y551 PolarHBondContact O-OH 3.01Å; I549-Y551 HydrophobicContact CG2-CE1 4.04Å; I549-Y551 HydrophobicContact CG2-CE2 4.07Å; Y551-I563 HydrophobicContact CG-CD1 4.46Å; Y551-K565 WeakPolarHBondContact CD2-O 3.42Å; Y551-K565 PolarHBondContact N-O 2.88Å; Y551-K565 WeakPolarHBondContact O-CA 3.12Å; Y551-G568 VanDerWaalsContact CD2-CA 3.49Å; Y551-Q589 CarbonylContact C-O 3.6Å; Y551-Q589 WeakPolarHBondContact CA-O 3.49Å; Y551-A590 HydrophobicContact CD1-CB 4.03Å; Y551-A590 HydrophobicContact CE1-CB 3.96Å
552E94.1Very high88.9Confident120 Ų12054.2 Ų54.256%0.56132%0.319SS*.EExtended strand (participates in β ladder)trans-147135.7176.7-177.3172.1-17300111.4L554 V588 Q589E552-L554 PolarHBondContact O-N 2.74Å; E552-V588 CarbonylContact O-C 3.6Å; E552-V588 WeakPolarHBondContact O-CA 3.38Å; E552-Q589 PolarHBondContact N-O 3.4Å; E552-Q589 PolarHBondContact O-N 2.97Å
553I93Very high88.9Confident35 Ų3555.2 Ų55.218%0.17932%0.324CS..EExtended strand (participates in β ladder)trans-81.5112.7168.1-67.6158.6000107.6I563 L586 V588I553-I563 HydrophobicContact CB-CG2 4.28Å; I553-I563 HydrophobicContact CD1-CB 3.66Å; I553-I563 HydrophobicContact CD1-CG2 3.78Å; I553-I563 HydrophobicContact CG1-CB 3.82Å; I553-I563 HydrophobicContact CG1-CG2 3.6Å; I553-L586 HydrophobicContact CD1-CD2 3.9Å; I553-L586 HydrophobicContact CG1-CD2 4.14Å; I553-L586 HydrophobicContact CG2-CD2 3.79Å; I553-V588 HydrophobicContact CG1-CG2 4Å
554L91.3Very high89.2Confident75 Ų7554.1 Ų54.139%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-74.8-49.7178.2-64.3179.6000111.7E552 T587 Q589 I603E552-L554 PolarHBondContact O-N 2.74Å; L554-T587 HydrophobicContact CD1-CG2 4.38Å; L554-T587 PolarHBondContact N-O 3.48Å; L554-Q589 HydrophobicContact CD1-CB 3.94Å; L554-Q589 HydrophobicContact CD2-CB 4.18Å; L554-Q589 HydrophobicContact CG-CB 3.92Å; L554-I603 HydrophobicContact CD1-CG2 3.99Å
555V89.8Confident89.4Confident99 Ų9957.7 Ų57.760%0.632%0.321SS*.EExtended strand (participates in β ladder)trans-151.5161.3-173.5-172.30000110.1L586 T587V555-L586 WeakPolarHBondContact O-CA 3.37Å; V555-T587 PolarHBondContact O-N 2.92Å
556G85.7Confident89.5Confident27 Ų2759.8 Ų59.828%0.27833%0.331SS..SBendtrans102.1-19.7165.200000115.7K558 A585G556-K558 VanDerWaalsContact C-N 3.33Å; G556-K558 PolarHBondContact O-N 3.37Å; G556-A585 VanDerWaalsContact CA-O 3.3Å; G556-A585 WeakPolarHBondContact CA-O 3.35Å
557G73.5Confident89.5Confident6 Ų661.6 Ų61.66%0.06234%0.343CS..  trans-71.8-18.2-177.600000115.7G559 D560G557-G559 PolarHBondContact O-N 2.77Å; G557-D560 PolarHBondContact O-N 3.23Å
558K79.5Confident89.6Confident166 Ų16660.8 Ų60.872%0.72234%0.335SS*.THydrogen-bonded Turntrans49.710.2-172.7-68.4-179.4-176.7166.50115.8G556 Y584G556-K558 VanDerWaalsContact C-N 3.33Å; G556-K558 PolarHBondContact O-N 3.37Å; K558-Y584 HydrophobicContact CD-CE1 4.44Å
559G83.4Confident89.6Confident57 Ų5758.3 Ų58.359%0.58833%0.325SS*.THydrogen-bonded Turntrans89.2-4.4-170.700000114.5G557 F561 A573G557-G559 PolarHBondContact O-N 2.77Å; G559-F561 VanDerWaalsContact C-N 3.35Å; G559-A573 WeakPolarHBondContact O-CB 3.24Å
560D88Confident89.6Confident38 Ų3857 Ų5720%0.20332%0.319CS..THydrogen-bonded Turntrans-81.2-16.6-175.5-65.9-16.9000113.2G557 A573 V576 Y584G557-D560 PolarHBondContact O-N 3.23Å; D560-A573 WeakPolarHBondContact O-CB 3.14Å; D560-A573 PolarHBondContact O-N 2.91Å; D560-V576 HydrophobicContact CB-CG1 3.97Å; D560-V576 HydrophobicContact CB-CG2 4.35Å; D560-Y584 HydrophobicContact CB-CE1 3.97Å; D560-Y584 WeakPolarHBondContact OD2-CE1 3.35Å; D560-Y584 VanDerWaalsContact OD2-CZ 3.25Å; D560-Y584 PolarHBondContact OD2-OH 2.86Å
561F92.1Very high89.4Confident8 Ų857.2 Ų57.24%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-132.2143.9178.5-55.8-79.9000110.9V533 G559 V570 S571 I572 L578 Y584 L586 I608V533-F561 HydrophobicContact CG2-CD1 3.91Å; V533-F561 HydrophobicContact CG2-CE1 3.8Å; G559-F561 VanDerWaalsContact C-N 3.35Å; F561-V570 HydrophobicContact CB-CG1 4.07Å; F561-V570 HydrophobicContact CD1-CG1 4.48Å; F561-S571 WeakPolarHBondContact CA-O 3.31Å; F561-I572 HydrophobicContact CE1-CG1 4.26Å; F561-L578 HydrophobicContact CZ-CD2 4.28Å; F561-Y584 HydrophobicContact CD2-CD1 4.29Å; F561-Y584 HydrophobicContact CD2-CG 4.41Å; F561-Y584 AromaticContact CE2-CD1 3.67Å; F561-Y584 HydrophobicContact CE2-CD1 3.67Å; F561-Y584 AromaticContact CE2-CD2 3.61Å; F561-Y584 HydrophobicContact CE2-CD2 3.61Å; F561-Y584 AromaticContact CE2-CE1 3.85Å; F561-Y584 HydrophobicContact CE2-CE1 3.85Å; F561-Y584 AromaticContact CE2-CE2 3.81Å; F561-Y584 HydrophobicContact CE2-CE2 3.81Å; F561-Y584 AromaticContact CE2-CG 3.54Å; F561-Y584 HydrophobicContact CE2-CG 3.54Å; F561-Y584 AromaticContact CE2-CZ 3.92Å; F561-Y584 AromaticContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CE2 4.05Å; F561-Y584 HydrophobicContact CZ-CG 4.35Å; F561-L586 HydrophobicContact CB-CD1 4.49Å; F561-L586 HydrophobicContact CB-CD2 4.07Å; F561-L586 HydrophobicContact CD2-CD1 4.06Å; F561-L586 HydrophobicContact CD2-CD2 4.33Å; F561-L586 HydrophobicContact CG-CD1 4.26Å; F561-I608 HydrophobicContact CD1-CD1 4.06Å; F561-I608 HydrophobicContact CD2-CD1 4.12Å; F561-I608 HydrophobicContact CE1-CD1 3.73Å; F561-I608 HydrophobicContact CE2-CD1 3.8Å; F561-I608 HydrophobicContact CG-CD1 4.25Å; F561-I608 HydrophobicContact CZ-CD1 3.58Å; F561-I608 HydrophobicContact CZ-CG2 4.14Å
562V91.8Very high89.2Confident68 Ų6856.3 Ų56.341%0.41232%0.316SS..EExtended strand (participates in β ladder)trans-123.3144.4173.9-68.40000109.8V570 S571 A573V562-V570 WeakPolarHBondContact O-CA 3.33Å; V562-S571 WeakPolarHBondContact CG2-OG 3.41Å; V562-S571 PolarHBondContact N-O 3.28Å; V562-S571 PolarHBondContact O-N 3.13Å; V562-A573 HydrophobicContact CG1-CB 4.03Å
563I93.6Very high88.9Confident32 Ų3250.9 Ų50.916%0.16429%0.292CS..EExtended strand (participates in β ladder)trans-111.5138.4174.4-166164.3000110.4L536 Y551 I553 L569 V570 V588L536-I563 HydrophobicContact CD1-CD1 4.17Å; Y551-I563 HydrophobicContact CG-CD1 4.46Å; I553-I563 HydrophobicContact CB-CG2 4.28Å; I553-I563 HydrophobicContact CD1-CB 3.66Å; I553-I563 HydrophobicContact CD1-CG2 3.78Å; I553-I563 HydrophobicContact CG1-CB 3.82Å; I553-I563 HydrophobicContact CG1-CG2 3.6Å; I563-L569 WeakPolarHBondContact CA-O 3.21Å; I563-V570 HydrophobicContact CB-CG2 4.35Å; I563-V570 HydrophobicContact CD1-CG2 3.88Å; I563-V570 HydrophobicContact CG1-CG2 4.03Å; I563-V588 HydrophobicContact CD1-CG1 3.53Å; I563-V588 HydrophobicContact CD1-CG2 4.47Å
564N93.2Very high88.4Confident74 Ų7454.7 Ų54.740%0.39632%0.319SS..  trans-81124.4170.2-178.4-51.6000110.3T566 T567 G568 L569N564-T566 VanDerWaalsContact C-N 3.27Å; N564-T566 PolarHBondContact O-N 3.21Å; N564-T566 PolarHBondContact OD1-N 3.26Å; N564-T566 PolarHBondContact OD1-OG1 3.31Å; N564-T566 VanDerWaalsContact OD1-OG1 3.13Å; N564-T567 WeakPolarHBondContact CB-OG1 3.45Å; N564-T567 PolarHBondContact ND2-OG1 3.49Å; N564-T567 PolarHBondContact OD1-N 3.24Å; N564-T567 VanDerWaalsContact OD1-N 3.15Å; N564-T567 PolarHBondContact OD1-OG1 3.15Å; N564-G568 PolarHBondContact O-N 2.64Å; N564-L569 HydrophobicContact CB-CB 4.43Å; N564-L569 PolarHBondContact N-O 2.98Å
565K92.1Very high87.9Confident132 Ų13254.7 Ų54.757%0.57434%0.337SS*.THydrogen-bonded Turntrans-58.4-31.2-173.8-174.3175.1179.1-178.60114.4S550 Y551S550-K565 WeakPolarHBondContact CA-O 3.42Å; S550-K565 VanDerWaalsContact CB-CE 3.47Å; Y551-K565 WeakPolarHBondContact CD2-O 3.42Å; Y551-K565 PolarHBondContact N-O 2.88Å; Y551-K565 WeakPolarHBondContact O-CA 3.12Å
566T89.2Confident87.6Confident106 Ų10651.1 Ų51.165%0.6532%0.315SS*.THydrogen-bonded Turntrans-102.7-32.7-176.353.60000113.3N564N564-T566 VanDerWaalsContact C-N 3.27Å; N564-T566 PolarHBondContact O-N 3.21Å; N564-T566 PolarHBondContact OD1-N 3.26Å; N564-T566 PolarHBondContact OD1-OG1 3.31Å; N564-T566 VanDerWaalsContact OD1-OG1 3.13Å
567T88.6Confident87.3Confident59 Ų5958.4 Ų58.436%0.36234%0.342SS..THydrogen-bonded Turntrans-95.7-12.2-175.758.90000114.2Q535 N564 L569Q535-T567 PolarHBondContact NE2-O 2.93Å; Q535-T567 VanDerWaalsContact NE2-O 3.15Å; N564-T567 WeakPolarHBondContact CB-OG1 3.45Å; N564-T567 PolarHBondContact ND2-OG1 3.49Å; N564-T567 PolarHBondContact OD1-N 3.24Å; N564-T567 VanDerWaalsContact OD1-N 3.15Å; N564-T567 PolarHBondContact OD1-OG1 3.15Å; T567-L569 PolarHBondContact O-N 2.89Å; T567-L569 VanDerWaalsContact O-N 3.16Å
568G90Very high87.7Confident0 Ų059.1 Ų59.10%034%0.344CS..  trans67.18.2-176.200000114.2L536 Y551 N564 V570L536-G568 PolarHBondContact N-O 2.79Å; L536-G568 WeakPolarHBondContact O-CA 3.43Å; Y551-G568 VanDerWaalsContact CD2-CA 3.49Å; N564-G568 PolarHBondContact O-N 2.64Å; G568-V570 PolarHBondContact O-N 3.47Å
569L91.5Very high87.8Confident57 Ų5756.2 Ų56.230%0.29834%0.336SS..EExtended strand (participates in β ladder)trans-70.8116.4-179.7-175.168.1000110.9Q535 I563 N564 T567Q535-L569 HydrophobicContact CB-CD1 3.89Å; Q535-L569 HydrophobicContact CG-CB 4.46Å; Q535-L569 HydrophobicContact CG-CD1 4.29Å; I563-L569 WeakPolarHBondContact CA-O 3.21Å; N564-L569 HydrophobicContact CB-CB 4.43Å; N564-L569 PolarHBondContact N-O 2.98Å; T567-L569 PolarHBondContact O-N 2.89Å; T567-L569 VanDerWaalsContact O-N 3.16Å
570V91.7Very high87.5Confident0 Ų057.5 Ų57.50%033%0.332CS..EExtended strand (participates in β ladder)trans-90.5125.1170.2-175.70000108.4V533 I534 L536 F561 V562 I563 G568V533-V570 HydrophobicContact CB-CG1 4.44Å; V533-V570 WeakPolarHBondContact CB-O 3.22Å; V533-V570 PolarHBondContact N-O 3.2Å; I534-V570 HydrophobicContact CG2-CB 3.9Å; I534-V570 HydrophobicContact CG2-CG2 4.09Å; I534-V570 PolarHBondContact N-O 3.15Å; I534-V570 WeakPolarHBondContact O-CA 3.37Å; I534-V570 WeakPolarHBondContact O-CB 3.33Å; I534-V570 PolarHBondContact O-N 2.99Å; L536-V570 HydrophobicContact CD1-CG2 3.96Å; L536-V570 HydrophobicContact CG-CG2 4.27Å; F561-V570 HydrophobicContact CB-CG1 4.07Å; F561-V570 HydrophobicContact CD1-CG1 4.48Å; V562-V570 WeakPolarHBondContact O-CA 3.33Å; I563-V570 HydrophobicContact CB-CG2 4.35Å; I563-V570 HydrophobicContact CD1-CG2 3.88Å; I563-V570 HydrophobicContact CG1-CG2 4.03Å; G568-V570 PolarHBondContact O-N 3.47Å
571S91.2Very high87.2Confident22 Ų2258.3 Ų58.315%0.15435%0.349CS..EExtended strand (participates in β ladder)trans-133.5158-178.654.90000111.2D531 F561 V562 A573D531-S571 WeakPolarHBondContact O-CA 3.34Å; F561-S571 WeakPolarHBondContact CA-O 3.31Å; V562-S571 WeakPolarHBondContact CG2-OG 3.41Å; V562-S571 PolarHBondContact N-O 3.28Å; V562-S571 PolarHBondContact O-N 3.13Å; S571-A573 PolarHBondContact O-N 3.31Å
572I90.2Very high86.9Confident2 Ų261 Ų611%0.0136%0.362CS..EExtended strand (participates in β ladder)trans-65.5126.3175.8-59169.2000108.5M527 G530 D531 V533 F561 V576 L578M527-I572 HydrophobicContact CB-CD1 3.66Å; M527-I572 HydrophobicContact CE-CD1 4.17Å; G530-I572 PolarHBondContact N-O 3.01Å; D531-I572 HydrophobicContact CB-CD1 4.38Å; D531-I572 PolarHBondContact O-N 3.26Å; V533-I572 HydrophobicContact CG2-CG1 3.82Å; F561-I572 HydrophobicContact CE1-CG1 4.26Å; I572-V576 HydrophobicContact CG2-CB 4.01Å; I572-V576 HydrophobicContact CG2-CG1 4.33Å; I572-L578 HydrophobicContact CD1-CD1 3.61Å; I572-L578 HydrophobicContact CD1-CG 4.46Å; I572-L578 HydrophobicContact CG1-CD1 4.27Å
573A87.4Confident86.8Confident6 Ų662.3 Ų62.35%0.0537%0.37CS..PPolyproline II helixtrans-64.6146.7-178.100000111.2G559 D560 V562 S571 G575 V576G559-A573 WeakPolarHBondContact O-CB 3.24Å; D560-A573 WeakPolarHBondContact O-CB 3.14Å; D560-A573 PolarHBondContact O-N 2.91Å; V562-A573 HydrophobicContact CG1-CB 4.03Å; S571-A573 PolarHBondContact O-N 3.31Å; A573-G575 PolarHBondContact O-N 3.28Å; A573-V576 HydrophobicContact CB-CG2 3.87Å; A573-V576 WeakPolarHBondContact O-CB 3.43Å; A573-V576 VanDerWaalsContact O-CG2 3.28Å; A573-V576 WeakPolarHBondContact O-CG2 3.21Å; A573-V576 PolarHBondContact O-N 3.24Å
574P83Confident86.7Confident114 Ų11461.4 Ų61.474%0.7437%0.365SS*.THydrogen-bonded Turntrans-57.6129.1-179.7-24.733.8000112.7
575G81.1Confident86.6Confident75 Ų7559.9 Ų59.977%0.77336%0.362SS*.THydrogen-bonded Turntrans86.39.6175.900000115.7A573A573-G575 PolarHBondContact O-N 3.28Å
576V82.7Confident86.7Confident24 Ų2453.6 Ų53.615%0.14534%0.335CS..  trans-89.2136.1177178.30000110.5D560 I572 A573 L578D560-V576 HydrophobicContact CB-CG1 3.97Å; D560-V576 HydrophobicContact CB-CG2 4.35Å; I572-V576 HydrophobicContact CG2-CB 4.01Å; I572-V576 HydrophobicContact CG2-CG1 4.33Å; A573-V576 HydrophobicContact CB-CG2 3.87Å; A573-V576 WeakPolarHBondContact O-CB 3.43Å; A573-V576 VanDerWaalsContact O-CG2 3.28Å; A573-V576 WeakPolarHBondContact O-CG2 3.21Å; A573-V576 PolarHBondContact O-N 3.24Å; V576-L578 HydrophobicContact CG1-CD2 4.21Å
577E80.3Confident86.9Confident181 Ų18150.4 Ų50.485%0.84632%0.315SS*.  trans-109.8120.7168.1-71.7-176.2173.300109.3
578L82Confident87.1Confident21 Ų2147.6 Ų47.611%0.1130%0.299CS..  trans-79.5134.2-179.1-63.1177.1000111V523 F561 I572 V576 V610V523-L578 HydrophobicContact CB-CD1 4.18Å; V523-L578 HydrophobicContact CG2-CD1 3.89Å; F561-L578 HydrophobicContact CZ-CD2 4.28Å; I572-L578 HydrophobicContact CD1-CD1 3.61Å; I572-L578 HydrophobicContact CD1-CG 4.46Å; I572-L578 HydrophobicContact CG1-CD1 4.27Å; V576-L578 HydrophobicContact CG1-CD2 4.21Å; L578-V610 HydrophobicContact CB-CG1 3.94Å; L578-V610 HydrophobicContact CB-CG2 4.45Å
579I81Confident87.3Confident105 Ų10549.5 Ų49.554%0.53831%0.307SS..  trans-108.6125.2-177.2-59.8169.2000109.2G581 Q582 V610I579-G581 PolarHBondContact O-N 3.02Å; I579-Q582 HydrophobicContact CB-CG 4.19Å; I579-Q582 WeakPolarHBondContact O-CB 3.44Å; I579-Q582 PolarHBondContact O-N 2.92Å; I579-Q582 VanDerWaalsContact O-N 3.1Å; I579-V610 WeakPolarHBondContact O-CB 3.06Å
580V77.6Confident87.5Confident84 Ų8446.8 Ų46.851%0.50929%0.293SS..THydrogen-bonded Turntrans-50.2130.6178.5-1740000110.8T525T525-V580 HydrophobicContact CG2-CB 4.29Å; T525-V580 HydrophobicContact CG2-CG2 3.35Å
581G81.1Confident87.6Confident55 Ų5547.5 Ų47.557%0.56730%0.298SS*.THydrogen-bonded Turntrans84.90.5178.600000115.3I579 V610I579-G581 PolarHBondContact O-N 3.02Å; G581-V610 PolarHBondContact N-O 3.36Å
582Q86.7Confident87.7Confident64 Ų6446.4 Ų46.430%0.29929%0.291SS..  trans-72.5147.5165.6-79-148.836.200111.6I579 Y584 V610I579-Q582 HydrophobicContact CB-CG 4.19Å; I579-Q582 WeakPolarHBondContact O-CB 3.44Å; I579-Q582 PolarHBondContact O-N 2.92Å; I579-Q582 VanDerWaalsContact O-N 3.1Å; Q582-Y584 HydrophobicContact CB-CE2 4.19Å; Q582-Y584 PolarHBondContact OE1-OH 2.84Å; Q582-V610 HydrophobicContact CB-CG2 4.21Å; Q582-V610 WeakPolarHBondContact O-CG2 3.35Å; Q582-V610 PolarHBondContact O-N 2.85Å; Q582-V610 VanDerWaalsContact O-N 3.09Å
583T89.2Confident87.8Confident96 Ų9648.9 Ų48.959%0.58930%0.304SS*.EExtended strand (participates in β ladder)trans-130.3140.2177.659.80000111.4I608 E609T583-I608 CarbonylContact C-O 3.54Å; T583-I608 WeakPolarHBondContact CA-O 3.43Å; T583-E609 HydrophobicContact CG2-CB 4.48Å; T583-E609 HydrophobicContact CG2-CG 4.38Å
584Y90.6Very high87.8Confident12 Ų1248.6 Ų48.65%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-123.5154.2177-56.6-99.1000110.9K558 D560 F561 Q582 Y607 I608 V610K558-Y584 HydrophobicContact CD-CE1 4.44Å; D560-Y584 HydrophobicContact CB-CE1 3.97Å; D560-Y584 WeakPolarHBondContact OD2-CE1 3.35Å; D560-Y584 VanDerWaalsContact OD2-CZ 3.25Å; D560-Y584 PolarHBondContact OD2-OH 2.86Å; F561-Y584 HydrophobicContact CD2-CD1 4.29Å; F561-Y584 HydrophobicContact CD2-CG 4.41Å; F561-Y584 AromaticContact CE2-CD1 3.67Å; F561-Y584 HydrophobicContact CE2-CD1 3.67Å; F561-Y584 AromaticContact CE2-CD2 3.61Å; F561-Y584 HydrophobicContact CE2-CD2 3.61Å; F561-Y584 AromaticContact CE2-CE1 3.85Å; F561-Y584 HydrophobicContact CE2-CE1 3.85Å; F561-Y584 AromaticContact CE2-CE2 3.81Å; F561-Y584 HydrophobicContact CE2-CE2 3.81Å; F561-Y584 AromaticContact CE2-CG 3.54Å; F561-Y584 HydrophobicContact CE2-CG 3.54Å; F561-Y584 AromaticContact CE2-CZ 3.92Å; F561-Y584 AromaticContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CD2 3.98Å; F561-Y584 HydrophobicContact CZ-CE2 4.05Å; F561-Y584 HydrophobicContact CZ-CG 4.35Å; Q582-Y584 HydrophobicContact CB-CE2 4.19Å; Q582-Y584 PolarHBondContact OE1-OH 2.84Å; Y584-Y607 CarbonylContact O-C 3.6Å; Y584-Y607 VanDerWaalsContact O-CA 3.3Å; Y584-Y607 WeakPolarHBondContact O-CA 3.26Å; Y584-I608 HydrophobicContact CD2-CB 4.32Å; Y584-I608 HydrophobicContact CD2-CG2 4.44Å; Y584-I608 PolarHBondContact N-O 2.85Å; Y584-I608 PolarHBondContact O-N 3.15Å; Y584-V610 HydrophobicContact CE2-CG2 4.31Å
585A91.7Very high88Confident42 Ų4246.5 Ų46.535%0.34729%0.288SS..EExtended strand (participates in β ladder)trans-135.691173.400000108.2G556 T605 V606 Y607G556-A585 VanDerWaalsContact CA-O 3.3Å; G556-A585 WeakPolarHBondContact CA-O 3.35Å; A585-T605 HydrophobicContact CB-CG2 4.35Å; A585-V606 CarbonylContact C-O 3.54Å; A585-V606 WeakPolarHBondContact CA-O 3.4Å; A585-Y607 HydrophobicContact CB-CD1 3.8Å; A585-Y607 HydrophobicContact CB-CE1 3.74Å
586L93Very high88.1Confident0 Ų048.1 Ų48.10%029%0.285CS..EExtended strand (participates in β ladder)trans-82.6123.3-178.9-68.2133.3000110.2I553 V555 F561 V588 T605 V606 I608I553-L586 HydrophobicContact CD1-CD2 3.9Å; I553-L586 HydrophobicContact CG1-CD2 4.14Å; I553-L586 HydrophobicContact CG2-CD2 3.79Å; V555-L586 WeakPolarHBondContact O-CA 3.37Å; F561-L586 HydrophobicContact CB-CD1 4.49Å; F561-L586 HydrophobicContact CB-CD2 4.07Å; F561-L586 HydrophobicContact CD2-CD1 4.06Å; F561-L586 HydrophobicContact CD2-CD2 4.33Å; F561-L586 HydrophobicContact CG-CD1 4.26Å; L586-V588 HydrophobicContact CB-CG2 4.37Å; L586-T605 CarbonylContact O-C 3.29Å; L586-T605 VanDerWaalsContact O-CA 3.24Å; L586-T605 WeakPolarHBondContact O-CA 3.45Å; L586-V606 HydrophobicContact CB-CB 4.22Å; L586-V606 HydrophobicContact CD1-CB 4.3Å; L586-V606 PolarHBondContact N-O 2.76Å; L586-V606 PolarHBondContact O-N 2.55Å; L586-I608 HydrophobicContact CD1-CD1 3.24Å; L586-I608 HydrophobicContact CD1-CG1 4.04Å
587T93.6Very high88.3Confident39 Ų3951.8 Ų51.824%0.23932%0.318CS..EExtended strand (participates in β ladder)trans-92.4114.6168.6-50.50000108.7L554 V555 I603 C604L554-T587 HydrophobicContact CD1-CG2 4.38Å; L554-T587 PolarHBondContact N-O 3.48Å; V555-T587 PolarHBondContact O-N 2.92Å; T587-I603 HydrophobicContact CG2-CB 4.41Å; T587-C604 WeakPolarHBondContact CA-O 3.01Å
588V94.2Very high88.6Confident1 Ų148.7 Ų48.71%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-111.5134.9-177.8-177.60000109.6F514 L536 E552 I553 I563 L586 I603 C604F514-V588 HydrophobicContact CZ-CG1 4.34Å; L536-V588 HydrophobicContact CD1-CB 3.85Å; L536-V588 HydrophobicContact CD1-CG1 3.72Å; L536-V588 HydrophobicContact CD1-CG2 3.7Å; E552-V588 CarbonylContact O-C 3.6Å; E552-V588 WeakPolarHBondContact O-CA 3.38Å; I553-V588 HydrophobicContact CG1-CG2 4Å; I563-V588 HydrophobicContact CD1-CG1 3.53Å; I563-V588 HydrophobicContact CD1-CG2 4.47Å; L586-V588 HydrophobicContact CB-CG2 4.37Å; V588-I603 CarbonylContact O-C 3.48Å; V588-I603 WeakPolarHBondContact O-CA 3.42Å; V588-C604 PolarHBondContact N-O 2.82Å; V588-C604 PolarHBondContact O-N 2.83Å
589Q94.2Very high88.9Confident39 Ų3953.7 Ų53.718%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-105.1136.8174.3-176.1177.3-42.400110.6Y551 E552 L554 H601 S602 I603Y551-Q589 CarbonylContact C-O 3.6Å; Y551-Q589 WeakPolarHBondContact CA-O 3.49Å; E552-Q589 PolarHBondContact N-O 3.4Å; E552-Q589 PolarHBondContact O-N 2.97Å; L554-Q589 HydrophobicContact CD1-CB 3.94Å; L554-Q589 HydrophobicContact CD2-CB 4.18Å; L554-Q589 HydrophobicContact CG-CB 3.92Å; Q589-H601 HydrophobicContact CG-CB 4.02Å; Q589-S602 VanDerWaalsContact CA-O 3.31Å; Q589-S602 WeakPolarHBondContact CA-O 3.24Å; Q589-I603 HydrophobicContact CB-CG2 3.96Å; Q589-I603 HydrophobicContact CG-CG2 4.12Å
590A95Very high89.5Confident0 Ų053 Ų530%031%0.311CS..EExtended strand (participates in β ladder)trans-108.9126.3162.100000108.5P512 F514 A538 I549 S550 Y551 H601 S602P512-A590 HydrophobicContact CB-CB 4.07Å; F514-A590 HydrophobicContact CE1-CB 4.18Å; F514-A590 HydrophobicContact CE2-CB 3.58Å; F514-A590 HydrophobicContact CZ-CB 3.38Å; A538-A590 HydrophobicContact CB-CB 3.59Å; I549-A590 HydrophobicContact CG2-CB 3.74Å; S550-A590 WeakPolarHBondContact O-CA 3.27Å; Y551-A590 HydrophobicContact CD1-CB 4.03Å; Y551-A590 HydrophobicContact CE1-CB 3.96Å; A590-H601 CarbonylContact O-C 3.59Å; A590-H601 WeakPolarHBondContact O-CA 3.34Å; A590-H601 VanDerWaalsContact O-CB 3.26Å; A590-H601 WeakPolarHBondContact O-CB 3.36Å; A590-S602 PolarHBondContact N-O 2.96Å; A590-S602 PolarHBondContact O-N 3.22Å
591S94.1Very high90.2Very high15 Ų1554 Ų5411%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-126.4140.1177.5-174.10000110S550 R600S550-S591 PolarHBondContact N-O 3.21Å; S550-S591 PolarHBondContact O-N 2.91Å; S550-S591 PolarHBondContact OG-O 3.39Å; S550-S591 VanDerWaalsContact OG-O 3.11Å; S591-R600 WeakPolarHBondContact CA-O 3.3Å; S591-R600 PolarHBondContact OG-O 2.86Å
592D94Very high90.9Very high0 Ų052.6 Ų52.60%029%0.292CS..  trans-66.1169.9167.962.630000111.1N508 P512 N546 E548 A594 R599 R600N508-D592 PolarHBondContact ND2-OD2 3.26Å; N508-D592 PolarHBondContact OD1-OD2 2.86Å; P512-D592 HydrophobicContact CG-CB 3.95Å; N546-D592 WeakPolarHBondContact O-CB 3.26Å; E548-D592 CarbonylContact O-C 3.49Å; E548-D592 WeakPolarHBondContact O-CA 3.45Å; D592-A594 PolarHBondContact OD1-N 2.95Å; D592-R599 WeakPolarHBondContact OD1-CA 3.18Å; D592-R599 VanDerWaalsContact OD1-CB 3.32Å; D592-R599 WeakPolarHBondContact OD1-CB 3.32Å; D592-R599 VanDerWaalsContact OD1-CG 3.31Å; D592-R599 WeakPolarHBondContact OD1-CG 3.27Å; D592-R600 VanDerWaalsContact CG-N 3.28Å; D592-R600 PolarHBondContact N-O 3.25Å; D592-R600 VanDerWaalsContact N-O 3.08Å; D592-R600 PolarHBondContact OD1-N 3.43Å; D592-R600 VanDerWaalsContact OD1-N 3.14Å; D592-R600 WeakPolarHBondContact OD2-CA 3.41Å; D592-R600 VanDerWaalsContact OD2-CB 3.28Å; D592-R600 WeakPolarHBondContact OD2-CB 3.3Å; D592-R600 PolarHBondContact OD2-N 3.34Å
593N91Very high91.2Very high53 Ų5354.3 Ų54.328%0.28330%0.302SS..  trans-102.518.6177-76.1-27.4000112.9S545 E548S545-N593 CarbonylContact O-C 3.46Å; S545-N593 WeakPolarHBondContact O-CA 3.46Å; S545-N593 WeakPolarHBondContact O-CB 2.99Å; S545-N593 PolarHBondContact O-N 3.45Å; S545-N593 VanDerWaalsContact O-N 3.15Å; E548-N593 HydrophobicContact CB-CB 4.31Å; E548-N593 WeakPolarHBondContact CG-ND2 3.44Å; E548-N593 PolarHBondContact O-N 3.04Å; E548-N593 PolarHBondContact O-ND2 3.09Å; E548-N593 PolarHBondContact OE2-ND2 2.93Å
594A88.6Confident91.4Very high0 Ų049.8 Ų49.80%027%0.274CS..SBendtrans-58164.8177.700000112.1S545 D592 R599S545-A594 PolarHBondContact O-N 2.8Å; D592-A594 PolarHBondContact OD1-N 2.95Å; A594-R599 HydrophobicContact CB-CG 4.16Å; A594-R599 WeakPolarHBondContact O-CG 3.48Å; A594-R599 PolarHBondContact O-NE 2.81Å
595P86.5Confident91.5Very high70 Ų7051 Ų5146%0.45528%0.283SS..  trans-53.3144.3172.4-25.335000111.2A597 E598 R599P595-A597 PolarHBondContact O-N 2.89Å; P595-E598 PolarHBondContact O-N 2.93Å; P595-R599 PolarHBondContact O-N 2.89Å
596P84.1Confident91.5Very high109 Ų10949 Ų4971%0.70827%0.267SS*.THydrogen-bonded Turntrans-54.4-22.7-170-2834000116.4
597A84.8Confident91.4Very high102 Ų10254.2 Ų54.284%0.84329%0.287SS*.THydrogen-bonded Turntrans-78.1-21.3177.500000113.8P595P595-A597 PolarHBondContact O-N 2.89Å
598E87Confident91.2Very high116 Ų11652.5 Ų52.554%0.54228%0.276SS..THydrogen-bonded Turntrans-115.9-2.7-172.9-68.1176-162.300112.9N508 P595N508-E598 PolarHBondContact ND2-O 3.27Å; P595-E598 PolarHBondContact O-N 2.93Å
599R89.8Confident90.9Very high126 Ų12656.4 Ų56.448%0.47529%0.294SS..  trans-60.7136.4-177.8-73.1-171.5-167.6167.90.1113.9D592 A594 P595D592-R599 WeakPolarHBondContact OD1-CA 3.18Å; D592-R599 VanDerWaalsContact OD1-CB 3.32Å; D592-R599 WeakPolarHBondContact OD1-CB 3.32Å; D592-R599 VanDerWaalsContact OD1-CG 3.31Å; D592-R599 WeakPolarHBondContact OD1-CG 3.27Å; A594-R599 HydrophobicContact CB-CG 4.16Å; A594-R599 WeakPolarHBondContact O-CG 3.48Å; A594-R599 PolarHBondContact O-NE 2.81Å; P595-R599 PolarHBondContact O-N 2.89Å
600R91.6Very high90.5Very high89 Ų8954.6 Ų54.634%0.33629%0.286SS..  trans-119.5150.6176.7-57.3175171.4-149.95110.1N508 D509 N510 T511 S591 D592N508-R600 PolarHBondContact O-NE 2.68Å; N508-R600 PolarHBondContact O-NH2 2.88Å; D509-R600 PolarHBondContact O-NH1 2.94Å; N510-R600 WeakPolarHBondContact O-CD 3.49Å; N510-R600 PolarHBondContact O-NH1 3.41Å; T511-R600 HydrophobicContact CG2-CB 4.01Å; T511-R600 WeakPolarHBondContact OG1-CD 3.37Å; S591-R600 WeakPolarHBondContact CA-O 3.3Å; S591-R600 PolarHBondContact OG-O 2.86Å; D592-R600 VanDerWaalsContact CG-N 3.28Å; D592-R600 PolarHBondContact N-O 3.25Å; D592-R600 VanDerWaalsContact N-O 3.08Å; D592-R600 PolarHBondContact OD1-N 3.43Å; D592-R600 VanDerWaalsContact OD1-N 3.14Å; D592-R600 WeakPolarHBondContact OD2-CA 3.41Å; D592-R600 VanDerWaalsContact OD2-CB 3.28Å; D592-R600 WeakPolarHBondContact OD2-CB 3.3Å; D592-R600 PolarHBondContact OD2-N 3.34Å
601H94Very high89.7Confident106 Ų10656.8 Ų56.849%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-152.1153.1-177.162-80.9000112.1Q589 A590Q589-H601 HydrophobicContact CG-CB 4.02Å; A590-H601 CarbonylContact O-C 3.59Å; A590-H601 WeakPolarHBondContact O-CA 3.34Å; A590-H601 VanDerWaalsContact O-CB 3.26Å; A590-H601 WeakPolarHBondContact O-CB 3.36Å
602S94.2Very high88.8Confident25 Ų2559.8 Ų59.818%0.17532%0.316CS..EExtended strand (participates in β ladder)trans-128.6165.2168.274.30000111.2P512 F514 Q589 A590P512-S602 WeakPolarHBondContact O-CB 3.24Å; P512-S602 PolarHBondContact O-OG 2.81Å; F514-S602 WeakPolarHBondContact CD2-OG 3.35Å; Q589-S602 VanDerWaalsContact CA-O 3.31Å; Q589-S602 WeakPolarHBondContact CA-O 3.24Å; A590-S602 PolarHBondContact N-O 2.96Å; A590-S602 PolarHBondContact O-N 3.22Å
603I93.7Very high87.5Confident100 Ų10063.8 Ų63.851%0.51334%0.343SS..EExtended strand (participates in β ladder)trans-129.2144178.957.4172.7000110.9L554 T587 V588 Q589L554-I603 HydrophobicContact CD1-CG2 3.99Å; T587-I603 HydrophobicContact CG2-CB 4.41Å; V588-I603 CarbonylContact O-C 3.48Å; V588-I603 WeakPolarHBondContact O-CA 3.42Å; Q589-I603 HydrophobicContact CB-CG2 3.96Å; Q589-I603 HydrophobicContact CG-CG2 4.12Å
604C92.9Very high85.7Confident1 Ų165.5 Ų65.51%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-129.6162.3170740000110.9F514 I517 Y519 T587 V588F514-C604 HydrophobicContact CB-CB 4.14Å; F514-C604 HydrophobicContact CD1-CB 4.45Å; F514-C604 HydrophobicContact CD2-CB 3.69Å; F514-C604 HydrophobicContact CE2-CB 4.14Å; F514-C604 HydrophobicContact CG-CB 3.85Å; I517-C604 WeakPolarHBondContact O-CA 3.05Å; Y519-C604 HydrophobicContact CE2-CB 4.34Å; T587-C604 WeakPolarHBondContact CA-O 3.01Å; V588-C604 PolarHBondContact N-O 2.82Å; V588-C604 PolarHBondContact O-N 2.83Å
605T92.9Very high83.7Confident39 Ų3971.9 Ų71.924%0.23939%0.386CS..EExtended strand (participates in β ladder)trans-115.8123.5178.1-37.60000111.6I517 S518 Y519 A585 L586 Y607I517-T605 PolarHBondContact O-N 3.22Å; I517-T605 VanDerWaalsContact O-N 3.07Å; S518-T605 CarbonylContact C-O 3.54Å; S518-T605 WeakPolarHBondContact CA-O 3.13Å; S518-T605 WeakPolarHBondContact CB-O 3.27Å; Y519-T605 PolarHBondContact N-O 3.03Å; A585-T605 HydrophobicContact CB-CG2 4.35Å; L586-T605 CarbonylContact O-C 3.29Å; L586-T605 VanDerWaalsContact O-CA 3.24Å; L586-T605 WeakPolarHBondContact O-CA 3.45Å; T605-Y607 HydrophobicContact CG2-CE1 4.34Å; T605-Y607 HydrophobicContact CG2-CE2 4.44Å
606V92.1Very high82.5Confident0 Ų074.8 Ų74.80%039%0.393CS..EExtended strand (participates in β ladder)trans-101.1112.4174.7-173.40000109.4Y519 V521 I534 L536 A585 L586 I608Y519-V606 HydrophobicContact CD2-CG2 4.37Å; Y519-V606 CarbonylContact O-C 3.59Å; Y519-V606 WeakPolarHBondContact O-CA 3.49Å; V521-V606 HydrophobicContact CG2-CG1 3.86Å; I534-V606 HydrophobicContact CG2-CG1 4.05Å; L536-V606 HydrophobicContact CD1-CG2 3.93Å; L536-V606 HydrophobicContact CD2-CG2 3.89Å; L536-V606 HydrophobicContact CG-CG2 4.42Å; A585-V606 CarbonylContact C-O 3.54Å; A585-V606 WeakPolarHBondContact CA-O 3.4Å; L586-V606 HydrophobicContact CB-CB 4.22Å; L586-V606 HydrophobicContact CD1-CB 4.3Å; L586-V606 PolarHBondContact N-O 2.76Å; L586-V606 PolarHBondContact O-N 2.55Å; V606-I608 HydrophobicContact CG1-CD1 4.44Å; V606-I608 HydrophobicContact CG1-CG1 3.94Å
607Y91.3Very high81.7Confident109 Ų10971.8 Ų71.843%0.42738%0.375SS..EExtended strand (participates in β ladder)trans-86.1123171.2-64.7-70.1000109.4Y519 D520 V521 Y584 A585 T605Y519-Y607 PolarHBondContact O-N 2.86Å; D520-Y607 CarbonylContact C-O 3.48Å; D520-Y607 WeakPolarHBondContact CA-O 3.4Å; D520-Y607 WeakPolarHBondContact OD1-CB 3.5Å; V521-Y607 PolarHBondContact N-O 3.34Å; Y584-Y607 CarbonylContact O-C 3.6Å; Y584-Y607 VanDerWaalsContact O-CA 3.3Å; Y584-Y607 WeakPolarHBondContact O-CA 3.26Å; A585-Y607 HydrophobicContact CB-CD1 3.8Å; A585-Y607 HydrophobicContact CB-CE1 3.74Å; T605-Y607 HydrophobicContact CG2-CE1 4.34Å; T605-Y607 HydrophobicContact CG2-CE2 4.44Å
608I89.7Confident81.4Confident3 Ų370.4 Ų70.42%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-117127179-57174.8000109.1V521 V523 V533 F561 T583 Y584 L586 V606V521-I608 HydrophobicContact CB-CG1 4.43Å; V521-I608 CarbonylContact O-C 3.6Å; V521-I608 VanDerWaalsContact O-CA 3.27Å; V521-I608 WeakPolarHBondContact O-CA 3.14Å; V523-I608 HydrophobicContact CB-CG2 4.21Å; V523-I608 HydrophobicContact CG1-CG2 3.78Å; V523-I608 HydrophobicContact CG2-CG2 3.42Å; V523-I608 VanDerWaalsContact CG2-CG2 3.42Å; V533-I608 HydrophobicContact CG1-CD1 3.83Å; V533-I608 HydrophobicContact CG1-CG1 4.34Å; F561-I608 HydrophobicContact CD1-CD1 4.06Å; F561-I608 HydrophobicContact CD2-CD1 4.12Å; F561-I608 HydrophobicContact CE1-CD1 3.73Å; F561-I608 HydrophobicContact CE2-CD1 3.8Å; F561-I608 HydrophobicContact CG-CD1 4.25Å; F561-I608 HydrophobicContact CZ-CD1 3.58Å; F561-I608 HydrophobicContact CZ-CG2 4.14Å; T583-I608 CarbonylContact C-O 3.54Å; T583-I608 WeakPolarHBondContact CA-O 3.43Å; Y584-I608 HydrophobicContact CD2-CB 4.32Å; Y584-I608 HydrophobicContact CD2-CG2 4.44Å; Y584-I608 PolarHBondContact N-O 2.85Å; Y584-I608 PolarHBondContact O-N 3.15Å; L586-I608 HydrophobicContact CD1-CD1 3.24Å; L586-I608 HydrophobicContact CD1-CG1 4.04Å; V606-I608 HydrophobicContact CG1-CD1 4.44Å; V606-I608 HydrophobicContact CG1-CG1 3.94Å
609E86.8Confident81.4Confident83 Ų8364.9 Ų64.939%0.38833%0.332SS..EExtended strand (participates in β ladder)trans-116.7132.5172.1-179.7176.8-175.300110.8V521 Y522 V523 T583 L611V521-E609 PolarHBondContact O-N 3.08Å; Y522-E609 WeakPolarHBondContact CA-O 3.44Å; Y522-E609 HydrophobicContact CD1-CB 3.95Å; Y522-E609 HydrophobicContact CD1-CG 4.46Å; Y522-E609 HydrophobicContact CE1-CB 4.16Å; Y522-E609 WeakPolarHBondContact CE1-OE2 3.18Å; V523-E609 PolarHBondContact N-O 3.19Å; T583-E609 HydrophobicContact CG2-CB 4.48Å; T583-E609 HydrophobicContact CG2-CG 4.38Å; E609-L611 HydrophobicContact CG-CD2 4.15Å
610V85.9Confident81.1Confident1 Ų167.3 Ų67.31%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-92.9112.6-178.1-172.40000111.3V523 T525 L578 I579 G581 Q582 Y584V523-V610 HydrophobicContact CG2-CB 4.21Å; V523-V610 HydrophobicContact CG2-CG1 4.41Å; V523-V610 HydrophobicContact CG2-CG2 3.7Å; V523-V610 CarbonylContact O-C 3.58Å; V523-V610 VanDerWaalsContact O-CA 3.27Å; V523-V610 WeakPolarHBondContact O-CA 3.38Å; T525-V610 HydrophobicContact CG2-CG1 3.56Å; L578-V610 HydrophobicContact CB-CG1 3.94Å; L578-V610 HydrophobicContact CB-CG2 4.45Å; I579-V610 WeakPolarHBondContact O-CB 3.06Å; G581-V610 PolarHBondContact N-O 3.36Å; Q582-V610 HydrophobicContact CB-CG2 4.21Å; Q582-V610 WeakPolarHBondContact O-CG2 3.35Å; Q582-V610 PolarHBondContact O-N 2.85Å; Q582-V610 VanDerWaalsContact O-N 3.09Å; Y584-V610 HydrophobicContact CE2-CG2 4.31Å
611L78.2Confident80.9Confident46 Ų4663.2 Ų63.224%0.24133%0.325CS..EExtended strand (participates in β ladder)trans-105.9159.4-176.6-65.1-173.3000113.9Y522 V523 Y524 T525 E609Y522-L611 HydrophobicContact CD1-CD1 3.64Å; Y522-L611 HydrophobicContact CD1-CG 4.02Å; Y522-L611 HydrophobicContact CE1-CD1 4.45Å; Y522-L611 HydrophobicContact CG-CD1 3.79Å; Y522-L611 HydrophobicContact CG-CG 4.47Å; V523-L611 PolarHBondContact O-N 3.25Å; Y524-L611 WeakPolarHBondContact CA-O 3.38Å; Y524-L611 HydrophobicContact CD1-CB 3.79Å; Y524-L611 HydrophobicContact CE1-CB 3.81Å; Y524-L611 HydrophobicContact CE1-CD1 4.17Å; T525-L611 PolarHBondContact N-O 3.14Å; E609-L611 HydrophobicContact CG-CD2 4.15Å
612P75.4Confident80.4Confident77 Ų7762.1 Ų62.150%0.533%0.328SS..PPolyproline II helixtrans-74.5163.2169.730.9-34000112.6Y524Y524-P612 VanDerWaalsContact CD1-O 3.27Å; Y524-P612 WeakPolarHBondContact CD1-O 3.3Å
613P67.8Low79.9Confident85 Ų8566.2 Ų66.255%0.55234%0.344SS*.PPolyproline II helixtrans-58.5142.8-171.5-23.833.4000115.8
614N52Low79.3Confident88 Ų8867.5 Ų67.547%0.47135%0.351SS..PPolyproline II helixtrans-102.9138.3-173.5-179.713.1000114.9Y524Y524-N614 HydrophobicContact CE1-CB 4.11Å
615N47.9Very low79.1Confident135 Ų13574 Ų7472%0.72238%0.383SS*.  trans-138.720.6-168.2-104.62.3000120.2
616Q61.2Low78.9Confident130 Ų13073.2 Ų73.261%0.60738%0.376SS*.  trans-149.5143.9170.5-77.8-65.3-81.700112.8
617S66.6Low78.8Confident46 Ų4677.7 Ų77.732%0.32241%0.408SS..  trans-154.5143.4-176.5-54.20000114.5
618P79Confident78.8Confident73 Ų7373.9 Ų73.947%0.47439%0.394SS..  trans-77.4165.5176.231.6-35.9000113.7R620P618-R620 PolarHBondContact O-N 3.28Å
619P85.8Confident78.8Confident1 Ų180.9 Ų80.91%0.00643%0.427CS..  trans-57.7130.7176.8-22.632000111.3A645 D647 I653 D697 G702 S704P619-A645 HydrophobicContact CB-CB 4.47Å; P619-D647 HydrophobicContact CB-CB 4.38Å; P619-D647 HydrophobicContact CG-CB 4.36Å; P619-I653 HydrophobicContact CB-CD1 4.16Å; P619-I653 HydrophobicContact CB-CG1 4.39Å; P619-D697 HydrophobicContact CG-CB 3.77Å; P619-G702 WeakPolarHBondContact CD-O 3.48Å; P619-S704 WeakPolarHBondContact O-CB 3.35Å; P619-S704 PolarHBondContact O-OG 2.91Å
620R83.3Confident79.1Confident176 Ų17677.1 Ų77.166%0.66441%0.41SS*.BIsolated β-bridgetrans-110.3121-173.9-157.7177.8-173.1-95.43.1110.6P618 A645 T646P618-R620 PolarHBondContact O-N 3.28Å; R620-A645 WeakPolarHBondContact O-CA 3.33Å; R620-T646 PolarHBondContact N-O 2.94Å; R620-T646 PolarHBondContact O-N 2.88Å
621F87.5Confident79.3Confident3 Ų378.8 Ų78.81%0.01342%0.421CS..  trans-67.3134.6161.4-72.4-75.5000109.1Q623 Y626 L643 A645 Y655 V693 A695 A706F621-Q623 WeakPolarHBondContact CB-O 3.34Å; F621-Q623 PolarHBondContact O-N 2.81Å; F621-Y626 HydrophobicContact CD1-CE2 4.48Å; F621-L643 HydrophobicContact CE1-CB 4.27Å; F621-A645 HydrophobicContact CD1-CB 3.89Å; F621-A645 HydrophobicContact CE1-CB 4.03Å; F621-A645 HydrophobicContact CG-CB 4.22Å; F621-A645 HydrophobicContact CZ-CB 4.48Å; F621-Y655 HydrophobicContact CE1-CD1 4.24Å; F621-Y655 AromaticContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CZ-CD1 4.29Å; F621-Y655 HydrophobicContact CZ-CE1 4.25Å; F621-V693 HydrophobicContact CZ-CG1 4.48Å; F621-A695 HydrophobicContact CD2-CB 4.42Å; F621-A695 HydrophobicContact CE1-CB 4.02Å; F621-A695 HydrophobicContact CE2-CB 3.54Å; F621-A695 HydrophobicContact CZ-CB 3.3Å; F621-A706 HydrophobicContact CB-CB 4.28Å; F621-A706 HydrophobicContact CD1-CB 4.12Å; F621-A706 HydrophobicContact CD2-CB 3.56Å; F621-A706 HydrophobicContact CE1-CB 4.31Å; F621-A706 HydrophobicContact CE2-CB 3.76Å; F621-A706 HydrophobicContact CG-CB 3.74Å; F621-A706 HydrophobicContact CZ-CB 4.12Å
622P84.2Confident80Confident84 Ų8477.1 Ų77.155%0.54541%0.412SS..SBendtrans-56.4-33.3174.1-2633.7000112.5Q644P622-Q644 WeakPolarHBondContact CD-O 3.44Å
623Q83.1Confident80.6Confident111 Ų11177 Ų7752%0.51942%0.418SS..  trans-129.1136.1176.5-58.9176.5-28.200109.5F621 M625 Y626F621-Q623 WeakPolarHBondContact CB-O 3.34Å; F621-Q623 PolarHBondContact O-N 2.81Å; Q623-M625 VanDerWaalsContact C-N 3.34Å; Q623-Y626 HydrophobicContact CB-CD1 4.39Å; Q623-Y626 HydrophobicContact CB-CE1 3.86Å; Q623-Y626 HydrophobicContact CB-CE2 4.18Å; Q623-Y626 HydrophobicContact CG-CE1 4.33Å; Q623-Y626 PolarHBondContact N-OH 2.85Å; Q623-Y626 WeakPolarHBondContact O-CE2 3.32Å; Q623-Y626 PolarHBondContact O-OH 3.13Å; Q623-Y626 VanDerWaalsContact OE1-CD1 3.28Å; Q623-Y626 VanDerWaalsContact OE1-CE1 3.23Å
624L82.5Confident81.7Confident126 Ų12676.2 Ų76.266%0.6641%0.408SS*.SBendtrans-80.3-20.8175.8-63.9174.4000112.3A706 T707L624-A706 WeakPolarHBondContact O-CA 3.39Å; L624-T707 PolarHBondContact O-N 2.96Å
625M87.6Confident83.5Confident138 Ų13882.1 Ų82.168%0.6842%0.423SS*.EExtended strand (participates in β ladder)trans-134.1128.6179.1-62-177.876.500109.1Q623 T707Q623-M625 VanDerWaalsContact C-N 3.34Å; M625-T707 CarbonylContact C-O 3.55Å; M625-T707 VanDerWaalsContact CA-O 3.29Å; M625-T707 WeakPolarHBondContact CA-O 3.48Å
626Y89.2Confident85.5Confident23 Ų2380.4 Ų80.49%0.0941%0.413CS..EExtended strand (participates in β ladder)trans-112.2130.9171.5-60.9-92.5000107.4F621 Q623 L641 L643 A706 T707 V708 N709F621-Y626 HydrophobicContact CD1-CE2 4.48Å; Q623-Y626 HydrophobicContact CB-CD1 4.39Å; Q623-Y626 HydrophobicContact CB-CE1 3.86Å; Q623-Y626 HydrophobicContact CB-CE2 4.18Å; Q623-Y626 HydrophobicContact CG-CE1 4.33Å; Q623-Y626 PolarHBondContact N-OH 2.85Å; Q623-Y626 WeakPolarHBondContact O-CE2 3.32Å; Q623-Y626 PolarHBondContact O-OH 3.13Å; Q623-Y626 VanDerWaalsContact OE1-CD1 3.28Å; Q623-Y626 VanDerWaalsContact OE1-CE1 3.23Å; Y626-L641 HydrophobicContact CD1-CD2 4.42Å; Y626-L641 HydrophobicContact CG-CD1 4.49Å; Y626-L643 HydrophobicContact CD1-CD2 4.17Å; Y626-L643 HydrophobicContact CD2-CD2 3.56Å; Y626-L643 HydrophobicContact CE1-CD2 4.15Å; Y626-L643 HydrophobicContact CE2-CD2 3.55Å; Y626-L643 HydrophobicContact CG-CD2 3.89Å; Y626-A706 HydrophobicContact CD2-CB 4.18Å; Y626-A706 HydrophobicContact CE2-CB 3.83Å; Y626-T707 PolarHBondContact N-O 2.87Å; Y626-V708 HydrophobicContact CD2-CG2 4.27Å; Y626-V708 CarbonylContact O-C 3.54Å; Y626-V708 WeakPolarHBondContact O-CA 3.46Å; Y626-N709 PolarHBondContact O-N 2.85Å
627S90.6Very high86.8Confident94 Ų9476.8 Ų76.866%0.65741%0.41SS*.EExtended strand (participates in β ladder)trans-122.7130.6174.2-163.70000108.4N709S627-N709 WeakPolarHBondContact CA-O 3.28Å
628L90.7Very high88Confident28 Ų2875.8 Ų75.815%0.14741%0.405CS..EExtended strand (participates in β ladder)trans-141.9151.7173.265.6161.1000111V630 L640 L641 V708 N709 I710 V711L628-V630 HydrophobicContact CD1-CG2 3.55Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; L628-L640 HydrophobicContact CD1-CB 3.9Å; L628-L641 HydrophobicContact CD1-CD1 4.38Å; L628-L641 HydrophobicContact CD1-CG 4.15Å; L628-L641 HydrophobicContact CD2-CD1 3.46Å; L628-L641 VanDerWaalsContact CD2-CD1 3.46Å; L628-L641 HydrophobicContact CD2-CG 4.08Å; L628-V708 HydrophobicContact CD2-CG1 3.73Å; L628-N709 PolarHBondContact N-O 2.88Å; L628-I710 HydrophobicContact CD2-CG1 3.69Å; L628-I710 HydrophobicContact CG-CG1 4.23Å; L628-I710 WeakPolarHBondContact O-CA 3.4Å; L628-V711 PolarHBondContact O-N 2.82Å
629E90.9Very high88.6Confident151 Ų15177.9 Ų77.971%0.70641%0.411SS*.EExtended strand (participates in β ladder)trans-102.4128172.2-73.7175.6-168.600108.6V711 T713E629-V711 WeakPolarHBondContact CA-O 3.46Å; E629-V711 HydrophobicContact CG-CB 4.34Å; E629-T713 HydrophobicContact CB-CG2 3.75Å; E629-T713 HydrophobicContact CG-CG2 4Å
630V91.2Very high88.8Confident3 Ų379 Ų792%0.01842%0.417CS..EExtended strand (participates in β ladder)trans-126.7118.9-179.2-1770000108.1L628 M634 L640 L681 I710 V711 V712 T713L628-V630 HydrophobicContact CD1-CG2 3.55Å; L628-V630 HydrophobicContact CG-CG2 4.01Å; V630-M634 HydrophobicContact CG1-CB 3.72Å; V630-M634 HydrophobicContact CG1-CE 4Å; V630-M634 HydrophobicContact CG1-CG 3.89Å; V630-L640 HydrophobicContact CG1-CD2 3.95Å; V630-L640 HydrophobicContact CG2-CD1 4.46Å; V630-L640 HydrophobicContact CG2-CD2 3.94Å; V630-L681 HydrophobicContact CB-CD1 4.22Å; V630-L681 HydrophobicContact CG1-CD1 3.57Å; V630-I710 HydrophobicContact CB-CG2 4.1Å; V630-I710 HydrophobicContact CG2-CG2 3.74Å; V630-V711 PolarHBondContact N-O 2.95Å; V630-V712 CarbonylContact O-C 3.54Å; V630-V712 VanDerWaalsContact O-CA 3.25Å; V630-V712 WeakPolarHBondContact O-CA 3.49Å; V630-T713 PolarHBondContact O-N 3.32Å
631S90.8Very high89.2Confident36 Ų3672.4 Ų72.425%0.25240%0.395SS..EExtended strand (participates in β ladder)trans-60.9140.1174.7174.40000110.7A633 M634 T713 V715S631-A633 PolarHBondContact O-N 2.63Å; S631-A633 PolarHBondContact OG-N 3.34Å; S631-M634 WeakPolarHBondContact O-CB 3.35Å; S631-M634 PolarHBondContact O-N 3.21Å; S631-T713 WeakPolarHBondContact CA-OG1 3.38Å; S631-T713 PolarHBondContact N-OG1 2.79Å; S631-V715 WeakPolarHBondContact OG-CG2 3.35Å
632E92.3Very high89.3Confident12 Ų1276.2 Ų76.26%0.05642%0.415CS..THydrogen-bonded Turntrans-62.8-26.1175.273.1-167.1120.700113.2M634 L681 R683 V712 T713 V715E632-M634 PolarHBondContact O-N 2.64Å; E632-M634 VanDerWaalsContact O-N 3.1Å; E632-L681 HydrophobicContact CB-CB 4.18Å; E632-R683 HydrophobicContact CB-CB 4.44Å; E632-R683 WeakPolarHBondContact OE2-CB 3.33Å; E632-R683 PolarHBondContact OE2-N 3.41Å; E632-V712 HydrophobicContact CB-CG1 3.76Å; E632-T713 PolarHBondContact N-O 3.23Å; E632-T713 VanDerWaalsContact N-O 3.15Å; E632-V715 HydrophobicContact CG-CB 3.91Å; E632-V715 HydrophobicContact CG-CG2 3.91Å; E632-V715 PolarHBondContact OE1-N 3.08Å
633A88.7Confident89.5Confident74 Ų7472.2 Ų72.261%0.61239%0.389SS*.THydrogen-bonded Turntrans-72.35.5171.400000113.6S631 R635 V715S631-A633 PolarHBondContact O-N 2.63Å; S631-A633 PolarHBondContact OG-N 3.34Å; A633-R635 PolarHBondContact O-N 2.85Å; A633-V715 HydrophobicContact CB-CG2 4.02Å
634M91.3Very high89.7Confident69 Ų6972.1 Ų72.134%0.3439%0.389SS..PPolyproline II helixtrans-61.4130.7178.4-174.664.47500111.1V630 S631 E632 I636 A638 L640 L677V630-M634 HydrophobicContact CG1-CB 3.72Å; V630-M634 HydrophobicContact CG1-CE 4Å; V630-M634 HydrophobicContact CG1-CG 3.89Å; S631-M634 WeakPolarHBondContact O-CB 3.35Å; S631-M634 PolarHBondContact O-N 3.21Å; E632-M634 PolarHBondContact O-N 2.64Å; E632-M634 VanDerWaalsContact O-N 3.1Å; M634-I636 PolarHBondContact O-N 3.47Å; M634-A638 HydrophobicContact CG-CB 3.82Å; M634-A638 HydrophobicContact SD-CB 3.63Å; M634-L640 HydrophobicContact CG-CD2 4.37Å; M634-L677 HydrophobicContact CB-CD2 3.94Å; M634-L677 HydrophobicContact CG-CD2 3.85Å; M634-L677 WeakPolarHBondContact O-CD2 3.25Å
635R90.3Very high89.9Confident212 Ų21266.5 Ų66.580%0.836%0.36SS*.PPolyproline II helixtrans-68.8134.2-178.5-172.9179.7175.2-173-0.4111.2A633 G637 A638A633-R635 PolarHBondContact O-N 2.85Å; R635-G637 PolarHBondContact O-N 3.04Å; R635-A638 VanDerWaalsContact O-CB 3.24Å; R635-A638 WeakPolarHBondContact O-CB 3.19Å; R635-A638 PolarHBondContact O-N 2.89Å; R635-A638 VanDerWaalsContact O-N 3.09Å
636I89.4Confident89.6Confident98 Ų9864.2 Ų64.250%0.50335%0.354SS..THydrogen-bonded Turntrans-52.9131.7170.4-56.5173.9000110.3M634 A680M634-I636 PolarHBondContact O-N 3.47Å; I636-A680 HydrophobicContact CD1-CB 4.33Å; I636-A680 HydrophobicContact CG1-CB 4.49Å
637G89.1Confident89.3Confident54 Ų5464.1 Ų64.156%0.55736%0.355SS*.THydrogen-bonded Turntrans92.1-2.4-176.500000114.9R635 L677R635-G637 PolarHBondContact O-N 3.04Å; G637-L677 WeakPolarHBondContact CA-O 3.49Å; G637-L677 PolarHBondContact N-O 3.49Å
638A90.7Very high88.5Confident25 Ų2567.6 Ų67.621%0.20735%0.354CS..  trans-62.7138.9173.600000111.2M634 R635 S676 L677M634-A638 HydrophobicContact CG-CB 3.82Å; M634-A638 HydrophobicContact SD-CB 3.63Å; R635-A638 VanDerWaalsContact O-CB 3.24Å; R635-A638 WeakPolarHBondContact O-CB 3.19Å; R635-A638 PolarHBondContact O-N 2.89Å; R635-A638 VanDerWaalsContact O-N 3.09Å; A638-S676 CarbonylContact O-C 3.46Å; A638-S676 WeakPolarHBondContact O-CA 3.47Å; A638-S676 WeakPolarHBondContact O-CB 3.34Å; A638-L677 PolarHBondContact O-N 2.64Å
639I91.2Very high87.9Confident118 Ų11870 Ų7061%0.60536%0.364SS*.EExtended strand (participates in β ladder)trans-82.1122173.3-63.6169.6000107.7I674I639-I674 HydrophobicContact CB-CG2 4.4Å; I639-I674 HydrophobicContact CD1-CG2 4.28Å; I639-I674 HydrophobicContact CG1-CG2 3.98Å; I639-I674 HydrophobicContact CG2-CG2 3.69Å
640L91.2Very high87.3Confident25 Ų2565.8 Ų65.813%0.13136%0.362CS..EExtended strand (participates in β ladder)trans-95.3-46.1-176.4-58.6-178.5000111.6L628 V630 M634 F666 L675 L677 I710L628-L640 HydrophobicContact CD1-CB 3.9Å; V630-L640 HydrophobicContact CG1-CD2 3.95Å; V630-L640 HydrophobicContact CG2-CD1 4.46Å; V630-L640 HydrophobicContact CG2-CD2 3.94Å; M634-L640 HydrophobicContact CG-CD2 4.37Å; L640-F666 HydrophobicContact CD1-CD1 3.61Å; L640-F666 HydrophobicContact CD1-CE1 3.59Å; L640-L675 PolarHBondContact N-O 2.85Å; L640-L677 HydrophobicContact CD1-CB 4.36Å; L640-I710 HydrophobicContact CD1-CD1 4.48Å
641L90.9Very high86.8Confident37 Ų3767.9 Ų67.919%0.19437%0.373CS..EExtended strand (participates in β ladder)trans-146.5154.8-178-84170.8000111.9Y626 L628 L643 L675 V708Y626-L641 HydrophobicContact CD1-CD2 4.42Å; Y626-L641 HydrophobicContact CG-CD1 4.49Å; L628-L641 HydrophobicContact CD1-CD1 4.38Å; L628-L641 HydrophobicContact CD1-CG 4.15Å; L628-L641 HydrophobicContact CD2-CD1 3.46Å; L628-L641 VanDerWaalsContact CD2-CD1 3.46Å; L628-L641 HydrophobicContact CD2-CG 4.08Å; L641-L643 HydrophobicContact CB-CG 4.48Å; L641-L643 HydrophobicContact CD1-CD2 4.44Å; L641-L675 HydrophobicContact CB-CB 4.19Å; L641-L675 HydrophobicContact CB-CD2 4.48Å; L641-L675 HydrophobicContact CD1-CD2 4.47Å; L641-L675 PolarHBondContact N-O 3.42Å; L641-L675 PolarHBondContact O-N 3.2Å; L641-V708 HydrophobicContact CD1-CG1 3.41Å; L641-V708 VanDerWaalsContact CD1-CG1 3.41Å; L641-V708 HydrophobicContact CD1-CG2 4.38Å
642N90.3Very high86.6Confident83 Ų8371.5 Ų71.544%0.44440%0.396SS..EExtended strand (participates in β ladder)trans-117.596.4169.5-176.722.4000109.1Q644 T672N642-Q644 PolarHBondContact ND2-NE2 2.88Å; N642-Q644 VanDerWaalsContact ND2-NE2 3.2Å; N642-Q644 PolarHBondContact O-N 3.4Å; N642-Q644 VanDerWaalsContact OD1-CG 3.32Å; N642-Q644 WeakPolarHBondContact OD1-CG 3.36Å; N642-Q644 PolarHBondContact OD1-NE2 3.25Å; N642-T672 PolarHBondContact OD1-O 2.8Å
643L88.7Confident86.4Confident0 Ų072.4 Ų72.40%040%0.401CS..  trans-85.796.3-177.6-62.4169.6000108.8F621 Y626 L641 Y655 L668 G673 V693 V708F621-L643 HydrophobicContact CE1-CB 4.27Å; Y626-L643 HydrophobicContact CD1-CD2 4.17Å; Y626-L643 HydrophobicContact CD2-CD2 3.56Å; Y626-L643 HydrophobicContact CE1-CD2 4.15Å; Y626-L643 HydrophobicContact CE2-CD2 3.55Å; Y626-L643 HydrophobicContact CG-CD2 3.89Å; L641-L643 HydrophobicContact CB-CG 4.48Å; L641-L643 HydrophobicContact CD1-CD2 4.44Å; L643-Y655 WeakPolarHBondContact O-CE1 3.38Å; L643-Y655 VanDerWaalsContact O-CZ 3.24Å; L643-L668 HydrophobicContact CD1-CD1 4.26Å; L643-G673 WeakPolarHBondContact CB-O 3.4Å; L643-G673 PolarHBondContact N-O 2.64Å; L643-G673 WeakPolarHBondContact O-CA 3.17Å; L643-V693 HydrophobicContact CD1-CB 4.08Å; L643-V693 HydrophobicContact CD1-CG1 3.78Å; L643-V693 HydrophobicContact CD1-CG2 3.85Å; L643-V708 HydrophobicContact CD1-CG2 4.01Å; L643-V708 HydrophobicContact CD2-CG2 4.08Å
644Q85.9Confident86.5Confident108 Ų10872.7 Ų72.751%0.50540%0.395SS..  trans-111.2103.7178-61.7-162.8-20.400110.5P622 N642P622-Q644 WeakPolarHBondContact CD-O 3.44Å; N642-Q644 PolarHBondContact ND2-NE2 2.88Å; N642-Q644 VanDerWaalsContact ND2-NE2 3.2Å; N642-Q644 PolarHBondContact O-N 3.4Å; N642-Q644 VanDerWaalsContact OD1-CG 3.32Å; N642-Q644 WeakPolarHBondContact OD1-CG 3.36Å; N642-Q644 PolarHBondContact OD1-NE2 3.25Å
645A86.3Confident86.6Confident8 Ų870.2 Ų70.27%0.06638%0.382CS..  trans-78.2149.1164.800000109.9P619 R620 F621 I653 Y655 A695P619-A645 HydrophobicContact CB-CB 4.47Å; R620-A645 WeakPolarHBondContact O-CA 3.33Å; F621-A645 HydrophobicContact CD1-CB 3.89Å; F621-A645 HydrophobicContact CE1-CB 4.03Å; F621-A645 HydrophobicContact CG-CB 4.22Å; F621-A645 HydrophobicContact CZ-CB 4.48Å; A645-I653 HydrophobicContact CB-CD1 4.11Å; A645-I653 HydrophobicContact CB-CG2 4.43Å; A645-I653 WeakPolarHBondContact O-CD1 3.43Å; A645-Y655 HydrophobicContact CB-CE1 4.14Å; A645-Y655 PolarHBondContact N-OH 2.87Å; A645-Y655 PolarHBondContact O-OH 2.8Å; A645-A695 HydrophobicContact CB-CB 3.67Å
646T83Confident86.7Confident90 Ų9062.4 Ų62.455%0.55236%0.362SS*.BIsolated β-bridgetrans-116.8129.2175.755.20000109.6R620R620-T646 PolarHBondContact N-O 2.94Å; R620-T646 PolarHBondContact O-N 2.88Å
647D81.4Confident86.9Confident21 Ų2160 Ų6011%0.11235%0.35CS..  trans-98.1136.7171.6-177.952000110.2P619 E649 G650 D651 I653P619-D647 HydrophobicContact CB-CB 4.38Å; P619-D647 HydrophobicContact CG-CB 4.36Å; D647-E649 PolarHBondContact OD2-N 2.87Å; D647-G650 PolarHBondContact OD2-N 3.35Å; D647-D651 WeakPolarHBondContact OD2-CB 3.32Å; D647-D651 PolarHBondContact OD2-N 2.9Å; D647-I653 HydrophobicContact CB-CD1 4.09Å; D647-I653 HydrophobicContact CB-CG1 4.4Å
648R74.4Confident87Confident168 Ų16863.7 Ų63.763%0.63435%0.353SS*.SBendtrans-73.9-33.8-174.6179.2-177.2-178-179.8-2111
649E78.5Confident86.9Confident77 Ų7767.6 Ų67.636%0.3637%0.37SS..SBendtrans-83.6-16.1179.5-71.666-148.500112.4D647D647-E649 PolarHBondContact OD2-N 2.87Å
650G77.1Confident86.7Confident63 Ų6362.8 Ų62.865%0.64935%0.35SS*.  trans87.923.3174.100000113.9D647D647-G650 PolarHBondContact OD2-N 3.35Å
651D81.6Confident86.7Confident48 Ų4862.7 Ų62.726%0.25735%0.35SS..  trans-68.8150.6177.9-70.7-25.2000111.8D647 D697 R699D647-D651 WeakPolarHBondContact OD2-CB 3.32Å; D647-D651 PolarHBondContact OD2-N 2.9Å; D651-D697 HydrophobicContact CB-CB 4.05Å; D651-R699 IonicContact OD1-NH2 2.79Å; D651-R699 IonicContact OD2-CZ 3.89Å; D651-R699 IonicContact OD2-NE 2.7Å; D651-R699 PolarHBondContact OD2-NE 2.94Å; D651-R699 IonicContact OD2-NH2 3.49Å; D651-R699 PolarHBondContact OD2-NH2 2.77Å
652P86Confident86.4Confident112 Ų11266.5 Ų66.573%0.72738%0.377SS*.  trans-68132.7177.7-15.629.5000112.2
653I89.3Confident86.3Confident31 Ų3167.9 Ų67.916%0.15938%0.381CS..  trans-106.5133.8-175.1-56.8168.5000111.1P619 A645 D647 Y655 A695 S696P619-I653 HydrophobicContact CB-CD1 4.16Å; P619-I653 HydrophobicContact CB-CG1 4.39Å; A645-I653 HydrophobicContact CB-CD1 4.11Å; A645-I653 HydrophobicContact CB-CG2 4.43Å; A645-I653 WeakPolarHBondContact O-CD1 3.43Å; D647-I653 HydrophobicContact CB-CD1 4.09Å; D647-I653 HydrophobicContact CB-CG1 4.4Å; I653-Y655 HydrophobicContact CB-CE2 4.49Å; I653-Y655 HydrophobicContact CG2-CE1 4.09Å; I653-Y655 HydrophobicContact CG2-CE2 4.04Å; I653-A695 HydrophobicContact CG2-CB 3.68Å; I653-S696 CarbonylContact C-O 3.58Å; I653-S696 WeakPolarHBondContact CA-O 3.46Å
654T90.9Very high86.3Confident80 Ų8077.3 Ų77.349%0.49142%0.416SS..EExtended strand (participates in β ladder)trans-110.6136.3172.456.70000111.9E670 A695 S696T654-E670 WeakPolarHBondContact CA-O 3.39Å; T654-A695 WeakPolarHBondContact O-CA 3.41Å; T654-S696 PolarHBondContact N-O 2.83Å; T654-S696 PolarHBondContact O-N 2.82Å; T654-S696 PolarHBondContact OG1-O 2.88Å
655Y93.3Very high86.6Confident16 Ų1672.3 Ų72.36%0.06339%0.393CS..EExtended strand (participates in β ladder)trans-108.6141.9-178.7-58.2-86.2000112.6F621 L643 A645 I653 E670 T694 A695F621-Y655 HydrophobicContact CE1-CD1 4.24Å; F621-Y655 AromaticContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CE1-CE1 3.88Å; F621-Y655 HydrophobicContact CZ-CD1 4.29Å; F621-Y655 HydrophobicContact CZ-CE1 4.25Å; L643-Y655 WeakPolarHBondContact O-CE1 3.38Å; L643-Y655 VanDerWaalsContact O-CZ 3.24Å; A645-Y655 HydrophobicContact CB-CE1 4.14Å; A645-Y655 PolarHBondContact N-OH 2.87Å; A645-Y655 PolarHBondContact O-OH 2.8Å; I653-Y655 HydrophobicContact CB-CE2 4.49Å; I653-Y655 HydrophobicContact CG2-CE1 4.09Å; I653-Y655 HydrophobicContact CG2-CE2 4.04Å; Y655-E670 PolarHBondContact N-O 3.28Å; Y655-E670 WeakPolarHBondContact O-CA 3.42Å; Y655-T694 VanDerWaalsContact CA-O 3.29Å; Y655-T694 WeakPolarHBondContact CA-O 3.33Å; Y655-A695 HydrophobicContact CD1-CB 4Å; Y655-A695 HydrophobicContact CE1-CB 3.82Å
656A92.4Very high87Confident48 Ų4872.3 Ų72.340%0.39739%0.391SS..EExtended strand (participates in β ladder)trans-149.7148.4174.300000111.8V693 T694A656-V693 CarbonylContact O-C 3.59Å; A656-V693 VanDerWaalsContact O-CA 3.32Å; A656-V693 WeakPolarHBondContact O-CA 3.39Å; A656-V693 WeakPolarHBondContact O-CG1 3.4Å; A656-T694 PolarHBondContact N-O 2.81Å; A656-T694 VanDerWaalsContact N-O 3.11Å; A656-T694 PolarHBondContact O-N 2.88Å; A656-T694 PolarHBondContact O-OG1 2.75Å
657I92.4Very high87.4Confident48 Ų4872.2 Ų72.225%0.24639%0.388CS..EExtended strand (participates in β ladder)trans-84.8109.5166.6-55.8174.3000106.7N659 F666 L668 L675 L691 I692 V693I657-N659 WeakPolarHBondContact CG2-O 3.42Å; I657-F666 HydrophobicContact CD1-CB 4.33Å; I657-L668 HydrophobicContact CD1-CB 3.92Å; I657-L668 HydrophobicContact CG1-CB 3.83Å; I657-L668 HydrophobicContact CG1-CD2 3.73Å; I657-L668 HydrophobicContact CG1-CG 4.44Å; I657-L675 HydrophobicContact CD1-CD1 3.97Å; I657-L691 HydrophobicContact CD1-CD1 4.4Å; I657-L691 HydrophobicContact CG2-CB 4.4Å; I657-I692 CarbonylContact C-O 3.45Å; I657-V693 HydrophobicContact CG1-CG2 4.42Å
658E90.6Very high88Confident131 Ų13172.6 Ų72.661%0.61239%0.39SS*.EExtended strand (participates in β ladder)trans-76.4-43.1178.5-178178.8-146.500111.1I692 T694E658-I692 HydrophobicContact CB-CB 4.44Å; E658-I692 HydrophobicContact CB-CG2 4.29Å; E658-I692 PolarHBondContact N-O 2.86Å; E658-I692 WeakPolarHBondContact OE2-CG2 3.47Å; E658-T694 HydrophobicContact CB-CG2 4.15Å
659N90.1Very high88.9Confident107 Ų10766.6 Ų66.657%0.57237%0.373SS*.EExtended strand (participates in β ladder)trans-152.9166.6-176.8-158.40.8000111.6I657 L691 I692I657-N659 WeakPolarHBondContact CG2-O 3.42Å; N659-L691 CarbonylContact O-C 3.6Å; N659-L691 WeakPolarHBondContact O-CA 3.48Å; N659-I692 HydrophobicContact CB-CB 4.34Å; N659-I692 HydrophobicContact CB-CD1 4.17Å; N659-I692 HydrophobicContact CB-CG1 4.39Å; N659-I692 PolarHBondContact O-N 3.39Å
660G87.5Confident89.4Confident18 Ų1869.7 Ų69.719%0.18639%0.388CS..SBendtrans104.1-9172.500000116.6I690 L691G660-I690 WeakPolarHBondContact CA-O 3.25Å; G660-L691 WeakPolarHBondContact O-CD2 3.41Å
661D89.6Confident89.9Confident22 Ų2272.1 Ų72.112%0.11839%0.39CS..  trans-131.472.8179-175.613.8000112.4Q663 R664 V665 F666 L691D661-Q663 VanDerWaalsContact C-N 3.28Å; D661-Q663 PolarHBondContact O-N 2.88Å; D661-R664 PolarHBondContact O-N 3.2Å; D661-R664 WeakPolarHBondContact OD1-CA 3.25Å; D661-R664 PolarHBondContact OD1-N 3.38Å; D661-R664 VanDerWaalsContact OD2-CA 3.3Å; D661-R664 WeakPolarHBondContact OD2-CA 3.18Å; D661-V665 VanDerWaalsContact CG-N 3.29Å; D661-V665 PolarHBondContact OD1-N 2.75Å; D661-V665 PolarHBondContact OD2-N 3.02Å; D661-F666 HydrophobicContact CB-CD2 4.25Å; D661-F666 PolarHBondContact OD2-N 2.86Å; D661-L691 HydrophobicContact CB-CD2 3.75Å
662P85.4Confident90.3Very high118 Ų11872.7 Ų72.777%0.76640%0.396SS*.THydrogen-bonded Turntrans-67.3-28.8-177.327.2-34.4000113
663Q87.5Confident90.4Very high112 Ų11267.4 Ų67.452%0.52336%0.361SS..THydrogen-bonded Turntrans-88.9-2.7-177.4-64.6-174.6700113.3D661 V665 K679D661-Q663 VanDerWaalsContact C-N 3.28Å; D661-Q663 PolarHBondContact O-N 2.88Å; Q663-V665 HydrophobicContact CB-CG2 3.89Å; Q663-K679 PolarHBondContact O-NZ 2.85Å
664R89.6Confident90.6Very high198 Ų19868.6 Ų68.675%0.74737%0.367SS*.  trans54.352.5-175.2-57.8-176.4-179.6-174.3-2.1111.3D661D661-R664 PolarHBondContact O-N 3.2Å; D661-R664 WeakPolarHBondContact OD1-CA 3.25Å; D661-R664 PolarHBondContact OD1-N 3.38Å; D661-R664 VanDerWaalsContact OD2-CA 3.3Å; D661-R664 WeakPolarHBondContact OD2-CA 3.18Å
665V91.9Very high90.8Very high3 Ų364.8 Ų64.82%0.01834%0.344CS..  trans-75.2-33.4176.1-179.40000110.4D661 Q663 L677 G678 K679 L681 Y689D661-V665 VanDerWaalsContact CG-N 3.29Å; D661-V665 PolarHBondContact OD1-N 2.75Å; D661-V665 PolarHBondContact OD2-N 3.02Å; Q663-V665 HydrophobicContact CB-CG2 3.89Å; V665-L677 HydrophobicContact CG1-CD1 3.97Å; V665-G678 CarbonylContact O-C 3.51Å; V665-G678 WeakPolarHBondContact O-CA 3.29Å; V665-G678 PolarHBondContact O-N 3.09Å; V665-K679 HydrophobicContact CG1-CB 4.4Å; V665-K679 PolarHBondContact O-N 3.02Å; V665-K679 VanDerWaalsContact O-N 3.12Å; V665-L681 HydrophobicContact CG1-CD2 3.67Å; V665-Y689 HydrophobicContact CG2-CE1 4.18Å
666F94.2Very high90.8Very high7 Ų765.2 Ų65.23%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-108146.2-177.3-52.9-77.8000112L640 I657 D661 L675 S676 L677 L681 Y689 L691 I710L640-F666 HydrophobicContact CD1-CD1 3.61Å; L640-F666 HydrophobicContact CD1-CE1 3.59Å; I657-F666 HydrophobicContact CD1-CB 4.33Å; D661-F666 HydrophobicContact CB-CD2 4.25Å; D661-F666 PolarHBondContact OD2-N 2.86Å; F666-L675 HydrophobicContact CB-CD1 3.9Å; F666-S676 WeakPolarHBondContact CA-O 3.27Å; F666-L677 HydrophobicContact CD1-CD1 4.1Å; F666-L677 HydrophobicContact CE1-CD1 3.88Å; F666-L681 HydrophobicContact CE1-CD2 4.47Å; F666-L681 HydrophobicContact CZ-CD2 4.22Å; F666-Y689 AromaticContact CE2-CD1 3.74Å; F666-Y689 HydrophobicContact CE2-CD1 3.74Å; F666-Y689 AromaticContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CE1 4.25Å; F666-Y689 HydrophobicContact CE2-CE2 4.38Å; F666-Y689 AromaticContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CZ-CD1 4.47Å; F666-Y689 AromaticContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CE2 4.24Å; F666-Y689 AromaticContact CZ-CG 3.91Å; F666-Y689 HydrophobicContact CZ-CG 3.91Å; F666-L691 HydrophobicContact CB-CD1 4.44Å; F666-L691 HydrophobicContact CD2-CD1 3.88Å; F666-L691 HydrophobicContact CD2-CD2 4.02Å; F666-L691 HydrophobicContact CE2-CD1 4.39Å; F666-L691 HydrophobicContact CE2-CD2 4.25Å; F666-L691 HydrophobicContact CG-CD1 4.15Å; F666-I710 HydrophobicContact CD1-CD1 4Å; F666-I710 HydrophobicContact CD2-CD1 4.38Å; F666-I710 HydrophobicContact CE1-CD1 3.5Å; F666-I710 VanDerWaalsContact CE1-CD1 3.5Å; F666-I710 HydrophobicContact CE2-CD1 3.94Å; F666-I710 HydrophobicContact CG-CD1 4.42Å; F666-I710 HydrophobicContact CZ-CD1 3.47Å; F666-I710 VanDerWaalsContact CZ-CD1 3.47Å; F666-I710 HydrophobicContact CZ-CG2 4.29Å
667N92.8Very high90.8Very high89 Ų8963 Ų6348%0.47633%0.33SS..EExtended strand (participates in β ladder)trans-113.6119.8174.2-70-32.3000109.1S676N667-S676 PolarHBondContact N-O 2.79Å; N667-S676 PolarHBondContact O-N 3.41Å; N667-S676 PolarHBondContact O-OG 2.83Å
668L93.5Very high90.7Very high29 Ų2961.8 Ų61.815%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-106.2126173.8-179.365.3000110.3L643 I657 E670 I674 L675 V693L643-L668 HydrophobicContact CD1-CD1 4.26Å; I657-L668 HydrophobicContact CD1-CB 3.92Å; I657-L668 HydrophobicContact CG1-CB 3.83Å; I657-L668 HydrophobicContact CG1-CD2 3.73Å; I657-L668 HydrophobicContact CG1-CG 4.44Å; L668-E670 PolarHBondContact O-N 3.06Å; L668-I674 WeakPolarHBondContact CA-O 3.31Å; L668-L675 HydrophobicContact CB-CD1 4.09Å; L668-L675 HydrophobicContact CD1-CB 4.2Å; L668-L675 HydrophobicContact CD1-CD1 4.29Å; L668-V693 HydrophobicContact CD2-CG1 3.68Å; L668-V693 HydrophobicContact CD2-CG2 4.48Å
669S92.3Very high90.8Very high41 Ų4160.6 Ų60.629%0.28732%0.323SS..  trans-75.6117.3173.6174.80000110.9T671 T672 G673 I674S669-T671 PolarHBondContact O-N 3.43Å; S669-T671 VanDerWaalsContact O-N 3.15Å; S669-T672 WeakPolarHBondContact CB-OG1 3.23Å; S669-T672 PolarHBondContact OG-N 3.14Å; S669-T672 PolarHBondContact OG-OG1 2.81Å; S669-G673 PolarHBondContact O-N 2.99Å; S669-I674 PolarHBondContact N-O 2.89Å
670E89.5Confident90.8Very high142 Ų14258.8 Ų58.866%0.66432%0.323SS*.THydrogen-bonded Turntrans-59.4-27.5-176.1-65.3178.6-173.200114.2T654 Y655 L668T654-E670 WeakPolarHBondContact CA-O 3.39Å; Y655-E670 PolarHBondContact N-O 3.28Å; Y655-E670 WeakPolarHBondContact O-CA 3.42Å; L668-E670 PolarHBondContact O-N 3.06Å
671T88.1Confident91Very high114 Ų11458.5 Ų58.570%0.69932%0.317SS*.THydrogen-bonded Turntrans-104.6-29.7-174.752.10000113.7S669S669-T671 PolarHBondContact O-N 3.43Å; S669-T671 VanDerWaalsContact O-N 3.15Å
672T88.8Confident91Very high61 Ų6161.2 Ų61.237%0.37433%0.331SS..THydrogen-bonded Turntrans-104.2-13.5-175.267.40000113.3N642 S669 I674N642-T672 PolarHBondContact OD1-O 2.8Å; S669-T672 WeakPolarHBondContact CB-OG1 3.23Å; S669-T672 PolarHBondContact OG-N 3.14Å; S669-T672 PolarHBondContact OG-OG1 2.81Å; T672-I674 PolarHBondContact O-N 3.16Å; T672-I674 WeakPolarHBondContact OG1-CD1 3.45Å; T672-I674 WeakPolarHBondContact OG1-CG1 3.29Å
673G89.9Confident91.4Very high0 Ų057.1 Ų57.10%030%0.301CS..  trans70.813.2-177.400000114.2L643 S669 L675L643-G673 WeakPolarHBondContact CB-O 3.4Å; L643-G673 PolarHBondContact N-O 2.64Å; L643-G673 WeakPolarHBondContact O-CA 3.17Å; S669-G673 PolarHBondContact O-N 2.99Å; G673-L675 PolarHBondContact O-N 3.43Å
674I93.2Very high91.5Very high56 Ų5654.5 Ų54.529%0.28729%0.288SS..EExtended strand (participates in β ladder)trans-79.8118.2-179.1-63.8173.4000109.4I639 L668 S669 T672I639-I674 HydrophobicContact CB-CG2 4.4Å; I639-I674 HydrophobicContact CD1-CG2 4.28Å; I639-I674 HydrophobicContact CG1-CG2 3.98Å; I639-I674 HydrophobicContact CG2-CG2 3.69Å; L668-I674 WeakPolarHBondContact CA-O 3.31Å; S669-I674 PolarHBondContact N-O 2.89Å; T672-I674 PolarHBondContact O-N 3.16Å; T672-I674 WeakPolarHBondContact OG1-CD1 3.45Å; T672-I674 WeakPolarHBondContact OG1-CG1 3.29Å
675L93.7Very high91.5Very high0 Ų048.4 Ų48.40%028%0.276CS..EExtended strand (participates in β ladder)trans-93.2125.4172.3-172.870.7000109.2L640 L641 I657 F666 L668 G673 L691 V708 I710L640-L675 PolarHBondContact N-O 2.85Å; L641-L675 HydrophobicContact CB-CB 4.19Å; L641-L675 HydrophobicContact CB-CD2 4.48Å; L641-L675 HydrophobicContact CD1-CD2 4.47Å; L641-L675 PolarHBondContact N-O 3.42Å; L641-L675 PolarHBondContact O-N 3.2Å; I657-L675 HydrophobicContact CD1-CD1 3.97Å; F666-L675 HydrophobicContact CB-CD1 3.9Å; L668-L675 HydrophobicContact CB-CD1 4.09Å; L668-L675 HydrophobicContact CD1-CB 4.2Å; L668-L675 HydrophobicContact CD1-CD1 4.29Å; G673-L675 PolarHBondContact O-N 3.43Å; L675-L691 HydrophobicContact CD1-CD1 4.17Å; L675-L691 HydrophobicContact CD2-CD1 3.93Å; L675-V708 HydrophobicContact CD2-CG1 4.28Å; L675-I710 HydrophobicContact CD2-CD1 4.18Å
676S93.8Very high91.4Very high25 Ų2550.1 Ų50.118%0.17529%0.287CS..EExtended strand (participates in β ladder)trans-133.5155.7-177.859.90000112A638 F666 N667 G678A638-S676 CarbonylContact O-C 3.46Å; A638-S676 WeakPolarHBondContact O-CA 3.47Å; A638-S676 WeakPolarHBondContact O-CB 3.34Å; F666-S676 WeakPolarHBondContact CA-O 3.27Å; N667-S676 PolarHBondContact N-O 2.79Å; N667-S676 PolarHBondContact O-N 3.41Å; N667-S676 PolarHBondContact O-OG 2.83Å; S676-G678 PolarHBondContact O-N 3.09Å
677L93.5Very high91.1Very high1 Ų154.5 Ų54.51%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-78.6119.5179.2-172.764.2000111M634 G637 A638 L640 V665 F666 K679 L681M634-L677 HydrophobicContact CB-CD2 3.94Å; M634-L677 HydrophobicContact CG-CD2 3.85Å; M634-L677 WeakPolarHBondContact O-CD2 3.25Å; G637-L677 WeakPolarHBondContact CA-O 3.49Å; G637-L677 PolarHBondContact N-O 3.49Å; A638-L677 PolarHBondContact O-N 2.64Å; L640-L677 HydrophobicContact CD1-CB 4.36Å; V665-L677 HydrophobicContact CG1-CD1 3.97Å; F666-L677 HydrophobicContact CD1-CD1 4.1Å; F666-L677 HydrophobicContact CE1-CD1 3.88Å; L677-K679 WeakPolarHBondContact CD1-O 3.48Å; L677-K679 WeakPolarHBondContact CG-O 3.46Å; L677-L681 HydrophobicContact CD1-CD1 4.13Å; L677-L681 HydrophobicContact CD1-CD2 3.9Å; L677-L681 HydrophobicContact CD1-CG 3.81Å; L677-L681 HydrophobicContact CD2-CD1 4.32Å; L677-L681 HydrophobicContact CD2-CG 4.26Å
678G89.7Confident91.1Very high23 Ų2357 Ų5724%0.23731%0.313CS..  trans-95.8-27.1-178.400000114.9V665 S676V665-G678 CarbonylContact O-C 3.51Å; V665-G678 WeakPolarHBondContact O-CA 3.29Å; V665-G678 PolarHBondContact O-N 3.09Å; S676-G678 PolarHBondContact O-N 3.09Å
679K91.7Very high91Very high107 Ų10756.2 Ų56.247%0.46531%0.308SS..SBendtrans-134161.1176.5-66.8179.3-178170.60110.7Q663 V665 L677Q663-K679 PolarHBondContact O-NZ 2.85Å; V665-K679 HydrophobicContact CG1-CB 4.4Å; V665-K679 PolarHBondContact O-N 3.02Å; V665-K679 VanDerWaalsContact O-N 3.12Å; L677-K679 WeakPolarHBondContact CD1-O 3.48Å; L677-K679 WeakPolarHBondContact CG-O 3.46Å
680A90.6Very high91Very high69 Ų6958.2 Ų58.257%0.5732%0.315SS*.  trans-61.5145.3171.900000110I636I636-A680 HydrophobicContact CD1-CB 4.33Å; I636-A680 HydrophobicContact CG1-CB 4.49Å
681L91.6Very high91.2Very high12 Ų1251.4 Ų51.46%0.06328%0.283CS..  trans-89.7150.1172.5-64.4171.3000108.5V630 E632 V665 F666 L677 Y689 V712V630-L681 HydrophobicContact CB-CD1 4.22Å; V630-L681 HydrophobicContact CG1-CD1 3.57Å; E632-L681 HydrophobicContact CB-CB 4.18Å; V665-L681 HydrophobicContact CG1-CD2 3.67Å; F666-L681 HydrophobicContact CE1-CD2 4.47Å; F666-L681 HydrophobicContact CZ-CD2 4.22Å; L677-L681 HydrophobicContact CD1-CD1 4.13Å; L677-L681 HydrophobicContact CD1-CD2 3.9Å; L677-L681 HydrophobicContact CD1-CG 3.81Å; L677-L681 HydrophobicContact CD2-CD1 4.32Å; L677-L681 HydrophobicContact CD2-CG 4.26Å; L681-Y689 HydrophobicContact CD2-CE2 3.9Å; L681-V712 HydrophobicContact CB-CG1 4.27Å; L681-V712 HydrophobicContact CD1-CG1 4.41Å; L681-V712 HydrophobicContact CD1-CG2 4.39Å; L681-V712 HydrophobicContact CD2-CG2 4.42Å
682D90.6Very high91.4Very high78 Ų7848.5 Ų48.542%0.41726%0.263SS..  trans-142.4103.7177.2166.1-11.4000104.8E684 S685 T686D682-E684 VanDerWaalsContact C-N 3.32Å; D682-E684 PolarHBondContact OD1-N 2.73Å; D682-S685 PolarHBondContact O-N 2.84Å; D682-S685 PolarHBondContact O-OG 3.2Å; D682-S685 PolarHBondContact OD1-N 3.27Å; D682-T686 PolarHBondContact O-N 3.2Å; D682-T686 VanDerWaalsContact O-N 3.14Å
683R92.2Very high91.6Very high33 Ų3345.6 Ų45.613%0.12525%0.245CC..THydrogen-bonded Turntrans-69.3-34.3-171.9-168.1-154.157.669.5-8.9111.2E632 S685 T686 D687 V712 D714 P749 D750E632-R683 HydrophobicContact CB-CB 4.44Å; E632-R683 WeakPolarHBondContact OE2-CB 3.33Å; E632-R683 PolarHBondContact OE2-N 3.41Å; R683-S685 PolarHBondContact O-N 2.68Å; R683-T686 CarbonylContact O-C 3.54Å; R683-T686 PolarHBondContact O-N 3.32Å; R683-D687 HydrophobicContact CG-CB 4.2Å; R683-D687 PolarHBondContact O-N 2.78Å; R683-V712 HydrophobicContact CB-CB 4.39Å; R683-V712 HydrophobicContact CB-CG1 3.79Å; R683-V712 HydrophobicContact CG-CB 4.06Å; R683-V712 HydrophobicContact CG-CG1 3.97Å; R683-D714 IonicContact CZ-OD1 3.84Å; R683-D714 IonicContact NE-OD1 3.28Å; R683-D714 PolarHBondContact NE-OD1 3.29Å; R683-D714 IonicContact NH2-OD1 3.47Å; R683-D714 PolarHBondContact NH2-OD1 3.3Å; R683-P749 PolarHBondContact NH2-O 2.8Å; R683-P749 VanDerWaalsContact NH2-O 3.17Å; R683-D750 VanDerWaalsContact NH2-C 3.29Å
684E91.2Very high91.7Very high56 Ų5646.7 Ų46.726%0.26225%0.251SS..THydrogen-bonded Turntrans-60.7-29.2178.3-73.557.3-110.100111.2D682 P749D682-E684 VanDerWaalsContact C-N 3.32Å; D682-E684 PolarHBondContact OD1-N 2.73Å; E684-P749 HydrophobicContact CG-CB 3.78Å; E684-P749 HydrophobicContact CG-CG 4.14Å
685S89.1Confident91.6Very high70 Ų7044 Ų4449%0.4924%0.238SC..THydrogen-bonded Turntrans-85-42.4174.879.90000114D682 R683D682-S685 PolarHBondContact O-N 2.84Å; D682-S685 PolarHBondContact O-OG 3.2Å; D682-S685 PolarHBondContact OD1-N 3.27Å; R683-S685 PolarHBondContact O-N 2.68Å
686T89Confident91.4Very high40 Ų4045 Ų4525%0.24525%0.245CC..  trans-153.2108.9-178.1-57.90000110.2D682 R683 Y689D682-T686 PolarHBondContact O-N 3.2Å; D682-T686 VanDerWaalsContact O-N 3.14Å; R683-T686 CarbonylContact O-C 3.54Å; R683-T686 PolarHBondContact O-N 3.32Å; T686-Y689 HydrophobicContact CG2-CD1 4.29Å; T686-Y689 HydrophobicContact CG2-CD2 4.37Å; T686-Y689 HydrophobicContact CG2-CE1 3.79Å; T686-Y689 HydrophobicContact CG2-CE2 3.87Å
687D89.2Confident91Very high99 Ų9945 Ų4553%0.52924%0.243SC..SBendtrans-83.4-20.5-174.365.5-22000114.2R683 V712R683-D687 HydrophobicContact CG-CB 4.2Å; R683-D687 PolarHBondContact O-N 2.78Å; D687-V712 PolarHBondContact O-N 2.82Å
688R91.8Very high90.4Very high140 Ų14048.1 Ų48.153%0.52828%0.276SS..EExtended strand (participates in β ladder)trans-148.8137.4-176.1-175.9174.761.3-174.1-2.8113I690 N709 I710R688-I690 HydrophobicContact CG-CG1 4.32Å; R688-N709 WeakPolarHBondContact CD-OD1 3.43Å; R688-N709 WeakPolarHBondContact CG-OD1 3.1Å; R688-I710 WeakPolarHBondContact CA-O 3.13Å
689Y92Very high89.8Confident14 Ų1453.1 Ų53.16%0.05529%0.287CS..EExtended strand (participates in β ladder)trans-118.3128.2171.1-61.2-93.5000110.7V665 F666 L681 T686 I710 V712V665-Y689 HydrophobicContact CG2-CE1 4.18Å; F666-Y689 AromaticContact CE2-CD1 3.74Å; F666-Y689 HydrophobicContact CE2-CD1 3.74Å; F666-Y689 AromaticContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CD2 3.88Å; F666-Y689 HydrophobicContact CE2-CE1 4.25Å; F666-Y689 HydrophobicContact CE2-CE2 4.38Å; F666-Y689 AromaticContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CE2-CG 3.52Å; F666-Y689 HydrophobicContact CZ-CD1 4.47Å; F666-Y689 AromaticContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CD2 3.78Å; F666-Y689 HydrophobicContact CZ-CE2 4.24Å; F666-Y689 AromaticContact CZ-CG 3.91Å; F666-Y689 HydrophobicContact CZ-CG 3.91Å; L681-Y689 HydrophobicContact CD2-CE2 3.9Å; T686-Y689 HydrophobicContact CG2-CD1 4.29Å; T686-Y689 HydrophobicContact CG2-CD2 4.37Å; T686-Y689 HydrophobicContact CG2-CE1 3.79Å; T686-Y689 HydrophobicContact CG2-CE2 3.87Å; Y689-I710 PolarHBondContact N-O 2.76Å; Y689-I710 PolarHBondContact O-N 2.92Å; Y689-V712 HydrophobicContact CD2-CG2 4.06Å; Y689-V712 HydrophobicContact CE2-CG2 3.94Å
690I92.3Very high88.9Confident82 Ų8254 Ų5442%0.42130%0.304SS..EExtended strand (participates in β ladder)trans-11394.8175.9-57.5174.4000108G660 R688 T707 V708G660-I690 WeakPolarHBondContact CA-O 3.25Å; R688-I690 HydrophobicContact CG-CG1 4.32Å; I690-T707 HydrophobicContact CG2-CG2 3.56Å; I690-V708 CarbonylContact C-O 3.53Å
691L92.9Very high88.1Confident0 Ų058.1 Ų58.10%032%0.317CS..EExtended strand (participates in β ladder)trans-85.7133.3-178.7-43.9-178.6000110.3I657 N659 G660 D661 F666 L675 V693 T707 V708 I710I657-L691 HydrophobicContact CD1-CD1 4.4Å; I657-L691 HydrophobicContact CG2-CB 4.4Å; N659-L691 CarbonylContact O-C 3.6Å; N659-L691 WeakPolarHBondContact O-CA 3.48Å; G660-L691 WeakPolarHBondContact O-CD2 3.41Å; D661-L691 HydrophobicContact CB-CD2 3.75Å; F666-L691 HydrophobicContact CB-CD1 4.44Å; F666-L691 HydrophobicContact CD2-CD1 3.88Å; F666-L691 HydrophobicContact CD2-CD2 4.02Å; F666-L691 HydrophobicContact CE2-CD1 4.39Å; F666-L691 HydrophobicContact CE2-CD2 4.25Å; F666-L691 HydrophobicContact CG-CD1 4.15Å; L675-L691 HydrophobicContact CD1-CD1 4.17Å; L675-L691 HydrophobicContact CD2-CD1 3.93Å; L691-V693 HydrophobicContact CB-CG2 4.37Å; L691-T707 CarbonylContact O-C 3.59Å; L691-T707 WeakPolarHBondContact O-CA 3.36Å; L691-V708 HydrophobicContact CB-CB 4.15Å; L691-V708 PolarHBondContact N-O 2.89Å; L691-V708 PolarHBondContact O-N 3.32Å; L691-I710 HydrophobicContact CD1-CD1 3.75Å; L691-I710 HydrophobicContact CG-CD1 4.29Å
692I92.5Very high87.6Confident53 Ų5357.7 Ų57.727%0.27232%0.315SS..EExtended strand (participates in β ladder)trans-99.2113.4168.6-57.4-179.7000106.9I657 E658 N659I657-I692 CarbonylContact C-O 3.45Å; E658-I692 HydrophobicContact CB-CB 4.44Å; E658-I692 HydrophobicContact CB-CG2 4.29Å; E658-I692 PolarHBondContact N-O 2.86Å; E658-I692 WeakPolarHBondContact OE2-CG2 3.47Å; N659-I692 HydrophobicContact CB-CB 4.34Å; N659-I692 HydrophobicContact CB-CD1 4.17Å; N659-I692 HydrophobicContact CB-CG1 4.39Å; N659-I692 PolarHBondContact O-N 3.39Å
693V93.3Very high87.5Confident0 Ų057.2 Ų57.20%032%0.315CS..EExtended strand (participates in β ladder)trans-109.4128.8-178.9-177.40000109.8F621 L643 A656 I657 L668 L691 T705 A706 V708F621-V693 HydrophobicContact CZ-CG1 4.48Å; L643-V693 HydrophobicContact CD1-CB 4.08Å; L643-V693 HydrophobicContact CD1-CG1 3.78Å; L643-V693 HydrophobicContact CD1-CG2 3.85Å; A656-V693 CarbonylContact O-C 3.59Å; A656-V693 VanDerWaalsContact O-CA 3.32Å; A656-V693 WeakPolarHBondContact O-CA 3.39Å; A656-V693 WeakPolarHBondContact O-CG1 3.4Å; I657-V693 HydrophobicContact CG1-CG2 4.42Å; L668-V693 HydrophobicContact CD2-CG1 3.68Å; L668-V693 HydrophobicContact CD2-CG2 4.48Å; L691-V693 HydrophobicContact CB-CG2 4.37Å; V693-T705 CarbonylContact O-C 3.59Å; V693-T705 WeakPolarHBondContact O-CA 3.34Å; V693-A706 PolarHBondContact N-O 2.81Å; V693-A706 PolarHBondContact O-N 2.95Å; V693-V708 HydrophobicContact CG2-CG2 3.95Å
694T91.4Very high87.2Confident22 Ų2256.6 Ų56.614%0.13532%0.316CS..EExtended strand (participates in β ladder)trans-102.7140.2177.354.80000110.7Y655 A656 E658 T703 S704 T705Y655-T694 VanDerWaalsContact CA-O 3.29Å; Y655-T694 WeakPolarHBondContact CA-O 3.33Å; A656-T694 PolarHBondContact N-O 2.81Å; A656-T694 VanDerWaalsContact N-O 3.11Å; A656-T694 PolarHBondContact O-N 2.88Å; A656-T694 PolarHBondContact O-OG1 2.75Å; E658-T694 HydrophobicContact CB-CG2 4.15Å; T694-T703 HydrophobicContact CG2-CG2 4.29Å; T694-S704 CarbonylContact C-O 3.57Å; T694-S704 WeakPolarHBondContact CA-O 3.48Å; T694-T705 HydrophobicContact CG2-CG2 3.95Å
695A90.8Very high87.2Confident0 Ų057.6 Ų57.60%033%0.326CS..EExtended strand (participates in β ladder)trans-115.3125.8163.800000108.9F621 A645 I653 T654 Y655 T703 S704F621-A695 HydrophobicContact CD2-CB 4.42Å; F621-A695 HydrophobicContact CE1-CB 4.02Å; F621-A695 HydrophobicContact CE2-CB 3.54Å; F621-A695 HydrophobicContact CZ-CB 3.3Å; A645-A695 HydrophobicContact CB-CB 3.67Å; I653-A695 HydrophobicContact CG2-CB 3.68Å; T654-A695 WeakPolarHBondContact O-CA 3.41Å; Y655-A695 HydrophobicContact CD1-CB 4Å; Y655-A695 HydrophobicContact CE1-CB 3.82Å; A695-T703 CarbonylContact O-C 3.51Å; A695-T703 WeakPolarHBondContact O-CA 3.4Å; A695-S704 PolarHBondContact N-O 2.82Å; A695-S704 PolarHBondContact O-N 2.81Å
696S89.6Confident87.3Confident21 Ų2154.3 Ų54.315%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-127.3136.8-177.6-172.30000111.5I653 T654 G698 G702 T703I653-S696 CarbonylContact C-O 3.58Å; I653-S696 WeakPolarHBondContact CA-O 3.46Å; T654-S696 PolarHBondContact N-O 2.83Å; T654-S696 PolarHBondContact O-N 2.82Å; T654-S696 PolarHBondContact OG1-O 2.88Å; S696-G698 PolarHBondContact OG-N 2.86Å; S696-G702 WeakPolarHBondContact CA-O 3.26Å; S696-T703 PolarHBondContact OG-OG1 3.4Å
697D86.1Confident87.4Confident24 Ų2454.5 Ų54.513%0.12830%0.304CS..  trans-82.30.5169.368.31.4000113.1P619 D651 R699 G702P619-D697 HydrophobicContact CG-CB 3.77Å; D651-D697 HydrophobicContact CB-CB 4.05Å; D697-R699 VanDerWaalsContact OD1-CB 3.26Å; D697-R699 WeakPolarHBondContact OD1-CB 3.43Å; D697-R699 WeakPolarHBondContact OD1-CG 3.36Å; D697-R699 PolarHBondContact OD1-N 3.44Å; D697-R699 IonicContact OD2-NE 3.49Å; D697-G702 PolarHBondContact N-O 2.88Å; D697-G702 VanDerWaalsContact OD1-CA 3.28Å; D697-G702 WeakPolarHBondContact OD1-CA 3.43Å
698G80.8Confident87.6Confident68 Ų6849.8 Ų49.870%0.70128%0.279SS*.SBendtrans89.6-0-176.500000115.4S696S696-G698 PolarHBondContact OG-N 2.86Å
699R76.3Confident87.6Confident127 Ų12745 Ų4548%0.47926%0.263SS..SBendtrans-96.3155.2176.2-55.3-179.3-160.2-1406.4111.7D651 D697 D701 G702D651-R699 IonicContact OD1-NH2 2.79Å; D651-R699 IonicContact OD2-CZ 3.89Å; D651-R699 IonicContact OD2-NE 2.7Å; D651-R699 PolarHBondContact OD2-NE 2.94Å; D651-R699 IonicContact OD2-NH2 3.49Å; D651-R699 PolarHBondContact OD2-NH2 2.77Å; D697-R699 VanDerWaalsContact OD1-CB 3.26Å; D697-R699 WeakPolarHBondContact OD1-CB 3.43Å; D697-R699 WeakPolarHBondContact OD1-CG 3.36Å; D697-R699 PolarHBondContact OD1-N 3.44Å; D697-R699 IonicContact OD2-NE 3.49Å; R699-D701 VanDerWaalsContact C-N 3.28Å; R699-D701 PolarHBondContact O-N 2.6Å; R699-G702 PolarHBondContact O-N 2.83Å
700P74.3Confident87.6Confident127 Ų12744.3 Ų44.383%0.82526%0.261SS*.THydrogen-bonded Turntrans-58.7-38-178.7-21.631.7000113.6
701D73.6Confident87.6Confident155 Ų15542.8 Ų42.883%0.82926%0.255SS*.THydrogen-bonded Turntrans-101.64.8-177.7-53.1-33.1000112.4R699R699-D701 VanDerWaalsContact C-N 3.28Å; R699-D701 PolarHBondContact O-N 2.6Å
702G81.4Confident87.5Confident3 Ų343 Ų433%0.03126%0.257CS..  trans-10436.6-173.800000113.4P619 S696 D697 R699P619-G702 WeakPolarHBondContact CD-O 3.48Å; S696-G702 WeakPolarHBondContact CA-O 3.26Å; D697-G702 PolarHBondContact N-O 2.88Å; D697-G702 VanDerWaalsContact OD1-CA 3.28Å; D697-G702 WeakPolarHBondContact OD1-CA 3.43Å; R699-G702 PolarHBondContact O-N 2.83Å
703T87.1Confident87.4Confident68 Ų6842.6 Ų42.642%0.41726%0.257SS..EExtended strand (participates in β ladder)trans-114.9128.4177-53.70000110.1T694 A695 S696T694-T703 HydrophobicContact CG2-CG2 4.29Å; A695-T703 CarbonylContact O-C 3.51Å; A695-T703 WeakPolarHBondContact O-CA 3.4Å; S696-T703 PolarHBondContact OG-OG1 3.4Å
704S87.5Confident87.3Confident20 Ų2044.3 Ų44.314%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-115.2152.6170.461.40000110.8P619 T694 A695P619-S704 WeakPolarHBondContact O-CB 3.35Å; P619-S704 PolarHBondContact O-OG 2.91Å; T694-S704 CarbonylContact C-O 3.57Å; T694-S704 WeakPolarHBondContact CA-O 3.48Å; A695-S704 PolarHBondContact N-O 2.82Å; A695-S704 PolarHBondContact O-N 2.81Å
705T90.8Very high87.2Confident77 Ų7745.5 Ų45.547%0.47227%0.273SS..EExtended strand (participates in β ladder)trans-118.2140.4-17851.90000109.9V693 T694V693-T705 CarbonylContact O-C 3.59Å; V693-T705 WeakPolarHBondContact O-CA 3.34Å; T694-T705 HydrophobicContact CG2-CG2 3.95Å
706A90.5Very high87.3Confident0 Ų047 Ų470%028%0.281CS..EExtended strand (participates in β ladder)trans-129.1143166.800000110.1F621 L624 Y626 V693F621-A706 HydrophobicContact CB-CB 4.28Å; F621-A706 HydrophobicContact CD1-CB 4.12Å; F621-A706 HydrophobicContact CD2-CB 3.56Å; F621-A706 HydrophobicContact CE1-CB 4.31Å; F621-A706 HydrophobicContact CE2-CB 3.76Å; F621-A706 HydrophobicContact CG-CB 3.74Å; F621-A706 HydrophobicContact CZ-CB 4.12Å; L624-A706 WeakPolarHBondContact O-CA 3.39Å; Y626-A706 HydrophobicContact CD2-CB 4.18Å; Y626-A706 HydrophobicContact CE2-CB 3.83Å; V693-A706 PolarHBondContact N-O 2.81Å; V693-A706 PolarHBondContact O-N 2.95Å
707T91.6Very high87.3Confident45 Ų4549.7 Ų49.728%0.27629%0.294SS..EExtended strand (participates in β ladder)trans-97.1129.8177.6-45.70000109.2L624 M625 Y626 I690 L691L624-T707 PolarHBondContact O-N 2.96Å; M625-T707 CarbonylContact C-O 3.55Å; M625-T707 VanDerWaalsContact CA-O 3.29Å; M625-T707 WeakPolarHBondContact CA-O 3.48Å; Y626-T707 PolarHBondContact N-O 2.87Å; I690-T707 HydrophobicContact CG2-CG2 3.56Å; L691-T707 CarbonylContact O-C 3.59Å; L691-T707 WeakPolarHBondContact O-CA 3.36Å
708V92.7Very high87.5Confident0 Ų051.2 Ų51.20%030%0.302CS..EExtended strand (participates in β ladder)trans-112.8109.3175.3-175.40000108.6Y626 L628 L641 L643 L675 I690 L691 V693 I710Y626-V708 HydrophobicContact CD2-CG2 4.27Å; Y626-V708 CarbonylContact O-C 3.54Å; Y626-V708 WeakPolarHBondContact O-CA 3.46Å; L628-V708 HydrophobicContact CD2-CG1 3.73Å; L641-V708 HydrophobicContact CD1-CG1 3.41Å; L641-V708 VanDerWaalsContact CD1-CG1 3.41Å; L641-V708 HydrophobicContact CD1-CG2 4.38Å; L643-V708 HydrophobicContact CD1-CG2 4.01Å; L643-V708 HydrophobicContact CD2-CG2 4.08Å; L675-V708 HydrophobicContact CD2-CG1 4.28Å; I690-V708 CarbonylContact C-O 3.53Å; L691-V708 HydrophobicContact CB-CB 4.15Å; L691-V708 PolarHBondContact N-O 2.89Å; L691-V708 PolarHBondContact O-N 3.32Å; V693-V708 HydrophobicContact CG2-CG2 3.95Å; V708-I710 HydrophobicContact CG1-CD1 4.41Å; V708-I710 HydrophobicContact CG1-CG1 3.99Å
709N92.3Very high88Confident38 Ų3849.6 Ų49.620%0.20328%0.282CS..EExtended strand (participates in β ladder)trans-93.7111.3175.5-175.840.9000109.6Y626 S627 L628 R688Y626-N709 PolarHBondContact O-N 2.85Å; S627-N709 WeakPolarHBondContact CA-O 3.28Å; L628-N709 PolarHBondContact N-O 2.88Å; R688-N709 WeakPolarHBondContact CD-OD1 3.43Å; R688-N709 WeakPolarHBondContact CG-OD1 3.1Å
710I92.7Very high88.9Confident0 Ų043.6 Ų43.60%026%0.259CS..EExtended strand (participates in β ladder)trans-105.3111.3177-55.6173.7000107.4L628 V630 L640 F666 L675 R688 Y689 L691 V708L628-I710 HydrophobicContact CD2-CG1 3.69Å; L628-I710 HydrophobicContact CG-CG1 4.23Å; L628-I710 WeakPolarHBondContact O-CA 3.4Å; V630-I710 HydrophobicContact CB-CG2 4.1Å; V630-I710 HydrophobicContact CG2-CG2 3.74Å; L640-I710 HydrophobicContact CD1-CD1 4.48Å; F666-I710 HydrophobicContact CD1-CD1 4Å; F666-I710 HydrophobicContact CD2-CD1 4.38Å; F666-I710 HydrophobicContact CE1-CD1 3.5Å; F666-I710 VanDerWaalsContact CE1-CD1 3.5Å; F666-I710 HydrophobicContact CE2-CD1 3.94Å; F666-I710 HydrophobicContact CG-CD1 4.42Å; F666-I710 HydrophobicContact CZ-CD1 3.47Å; F666-I710 VanDerWaalsContact CZ-CD1 3.47Å; F666-I710 HydrophobicContact CZ-CG2 4.29Å; L675-I710 HydrophobicContact CD2-CD1 4.18Å; R688-I710 WeakPolarHBondContact CA-O 3.13Å; Y689-I710 PolarHBondContact N-O 2.76Å; Y689-I710 PolarHBondContact O-N 2.92Å; L691-I710 HydrophobicContact CD1-CD1 3.75Å; L691-I710 HydrophobicContact CG-CD1 4.29Å; V708-I710 HydrophobicContact CG1-CD1 4.41Å; V708-I710 HydrophobicContact CG1-CG1 3.99Å
711V91.3Very high89.8Confident50 Ų5041.9 Ų41.930%0.30325%0.247SC..EExtended strand (participates in β ladder)trans-93124.5171.4-179.70000107.6L628 E629 V630L628-V711 PolarHBondContact O-N 2.82Å; E629-V711 WeakPolarHBondContact CA-O 3.46Å; E629-V711 HydrophobicContact CG-CB 4.34Å; V630-V711 PolarHBondContact N-O 2.95Å
712V92Very high90.7Very high6 Ų635.6 Ų35.64%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-83.5118177-174.60000108V630 E632 L681 R683 D687 Y689V630-V712 CarbonylContact O-C 3.54Å; V630-V712 VanDerWaalsContact O-CA 3.25Å; V630-V712 WeakPolarHBondContact O-CA 3.49Å; E632-V712 HydrophobicContact CB-CG1 3.76Å; L681-V712 HydrophobicContact CB-CG1 4.27Å; L681-V712 HydrophobicContact CD1-CG1 4.41Å; L681-V712 HydrophobicContact CD1-CG2 4.39Å; L681-V712 HydrophobicContact CD2-CG2 4.42Å; R683-V712 HydrophobicContact CB-CB 4.39Å; R683-V712 HydrophobicContact CB-CG1 3.79Å; R683-V712 HydrophobicContact CG-CB 4.06Å; R683-V712 HydrophobicContact CG-CG1 3.97Å; D687-V712 PolarHBondContact O-N 2.82Å; Y689-V712 HydrophobicContact CD2-CG2 4.06Å; Y689-V712 HydrophobicContact CE2-CG2 3.94Å
713T89.8Confident91.2Very high44 Ų4438.8 Ų38.827%0.2723%0.228SC..EExtended strand (participates in β ladder)trans-8713317953.40000110.8E629 V630 S631 E632E629-T713 HydrophobicContact CB-CG2 3.75Å; E629-T713 HydrophobicContact CG-CG2 4Å; V630-T713 PolarHBondContact O-N 3.32Å; S631-T713 WeakPolarHBondContact CA-OG1 3.38Å; S631-T713 PolarHBondContact N-OG1 2.79Å; E632-T713 PolarHBondContact N-O 3.23Å; E632-T713 VanDerWaalsContact N-O 3.15Å
714D90.9Very high91.2Very high36 Ų3640.3 Ų40.319%0.19324%0.239CC..PPolyproline II helixtrans-64139.3-176.9-173.685000112.2R683 A751 N754R683-D714 IonicContact CZ-OD1 3.84Å; R683-D714 IonicContact NE-OD1 3.28Å; R683-D714 PolarHBondContact NE-OD1 3.29Å; R683-D714 IonicContact NH2-OD1 3.47Å; R683-D714 PolarHBondContact NH2-OD1 3.3Å; D714-A751 HydrophobicContact CB-CB 3.96Å; D714-A751 VanDerWaalsContact CG-N 3.33Å; D714-A751 PolarHBondContact OD1-N 2.91Å; D714-A751 PolarHBondContact OD2-N 3.47Å; D714-N754 WeakPolarHBondContact OD2-CB 3.44Å; D714-N754 PolarHBondContact OD2-ND2 3.32Å
715V89.2Confident91.1Very high47 Ų4749.3 Ų49.329%0.28527%0.272SS..  trans-125.8130.9171.3175.40000106.7S631 E632 A633 D717S631-V715 WeakPolarHBondContact OG-CG2 3.35Å; E632-V715 HydrophobicContact CG-CB 3.91Å; E632-V715 HydrophobicContact CG-CG2 3.91Å; E632-V715 PolarHBondContact OE1-N 3.08Å; A633-V715 HydrophobicContact CB-CG2 4.02Å; V715-D717 VanDerWaalsContact C-N 3.28Å; V715-D717 PolarHBondContact O-N 3.35Å
716N91.8Very high90.9Very high30 Ų3047.3 Ų47.316%0.1626%0.258CS..  trans-64.685.7177-177.1-10.7000111.4N718 D750 N754 D798 A800 R804N716-N718 PolarHBondContact OD1-O 3.19Å; N716-N718 VanDerWaalsContact OD1-O 3.06Å; N716-D750 VanDerWaalsContact CA-OD2 3.31Å; N716-D750 WeakPolarHBondContact CA-OD2 3.48Å; N716-D750 PolarHBondContact OD1-OD2 2.87Å; N716-N754 HydrophobicContact CB-CB 4.02Å; N716-D798 VanDerWaalsContact ND2-CG 3.34Å; N716-D798 PolarHBondContact ND2-OD1 2.7Å; N716-D798 PolarHBondContact ND2-OD2 2.67Å; N716-A800 HydrophobicContact CB-CB 4.44Å; N716-A800 WeakPolarHBondContact ND2-CB 3.41Å; N716-R804 WeakPolarHBondContact OD1-CD 3.34Å
717D90Very high90.8Very high79 Ų7951.2 Ų51.242%0.42228%0.283SS..  trans-121.3-3.4-17692.1-25000113.4V715 D750 R804V715-D717 VanDerWaalsContact C-N 3.28Å; V715-D717 PolarHBondContact O-N 3.35Å; D717-D750 PolarHBondContact N-OD2 3.36Å; D717-R804 VanDerWaalsContact CA-NH1 3.3Å; D717-R804 PolarHBondContact O-NH1 2.93Å
718N90.7Very high90.7Very high55 Ų5555.8 Ų55.829%0.29430%0.295SS..  trans-103.8171.7163.4-62.4-76.2000111.3N716 P749 D750 R804N716-N718 PolarHBondContact OD1-O 3.19Å; N716-N718 VanDerWaalsContact OD1-O 3.06Å; N718-P749 HydrophobicContact CB-CG 3.59Å; N718-D750 WeakPolarHBondContact CB-OD1 3.49Å; N718-D750 PolarHBondContact N-OD2 3.26Å; N718-D750 PolarHBondContact ND2-OD1 2.89Å; N718-R804 VanDerWaalsContact C-NH1 3.34Å; N718-R804 VanDerWaalsContact O-CD 3.31Å; N718-R804 WeakPolarHBondContact O-CD 3.48Å; N718-R804 PolarHBondContact O-NH1 2.98Å
719A91.3Very high90.6Very high34 Ų3461.8 Ų61.828%0.28133%0.327SS..  trans-136.1154174.100000107.7V721 D748 R804A719-V721 WeakPolarHBondContact O-CG2 3.33Å; A719-V721 PolarHBondContact O-N 2.97Å; A719-D748 WeakPolarHBondContact CA-OD2 3.14Å; A719-R804 HydrophobicContact CB-CB 3.85Å
720P95.6Very high90.7Very high1 Ų161.3 Ų61.31%0.00633%0.325CS..  trans-59.9132.2-175.1-25.833.8000111.2A746 D748 V757 A796 D798 S806P720-A746 HydrophobicContact CB-CB 4.49Å; P720-D748 HydrophobicContact CB-CB 4.42Å; P720-D748 WeakPolarHBondContact CD-OD2 3.27Å; P720-D748 HydrophobicContact CG-CB 4.29Å; P720-D748 WeakPolarHBondContact CG-OD2 3.45Å; P720-V757 HydrophobicContact CB-CG1 4.36Å; P720-V757 HydrophobicContact CB-CG2 4.06Å; P720-V757 HydrophobicContact CG-CG2 4.33Å; P720-A796 HydrophobicContact CB-CB 3.94Å; P720-D798 HydrophobicContact CG-CB 4.15Å; P720-S806 WeakPolarHBondContact O-CB 3.28Å; P720-S806 PolarHBondContact O-OG 2.77Å
721V92.7Very high90.7Very high92 Ų9264.4 Ų64.456%0.55835%0.346SS*.EExtended strand (participates in β ladder)trans-114.4122.2-179.5-175.10000110.3A719 A746 T747A719-V721 WeakPolarHBondContact O-CG2 3.33Å; A719-V721 PolarHBondContact O-N 2.97Å; V721-A746 CarbonylContact O-C 3.54Å; V721-A746 WeakPolarHBondContact O-CA 3.4Å; V721-A746 WeakPolarHBondContact O-CB 3.24Å; V721-T747 PolarHBondContact N-O 2.89Å; V721-T747 PolarHBondContact O-N 3.45Å
722F93.8Very high90.7Very high23 Ų2362.3 Ų62.310%0.10133%0.334CS..EExtended strand (participates in β ladder)trans-67.5143.6172.4-74-78.8000112V744 R745 A746 Y759 V794 A796 S806 L808F722-V744 HydrophobicContact CD1-CB 4.28Å; F722-V744 HydrophobicContact CE1-CB 4.07Å; F722-V744 HydrophobicContact CE1-CG2 4Å; F722-R745 WeakPolarHBondContact CA-O 3.43Å; F722-A746 HydrophobicContact CD1-CB 3.83Å; F722-A746 HydrophobicContact CE1-CB 4.11Å; F722-A746 HydrophobicContact CG-CB 4.11Å; F722-Y759 HydrophobicContact CE1-CD1 4.31Å; F722-Y759 HydrophobicContact CE1-CE1 4.05Å; F722-V794 HydrophobicContact CE1-CG1 4.35Å; F722-V794 HydrophobicContact CZ-CB 4.41Å; F722-V794 HydrophobicContact CZ-CG1 4.14Å; F722-A796 HydrophobicContact CE1-CB 4.11Å; F722-A796 HydrophobicContact CE2-CB 3.73Å; F722-A796 HydrophobicContact CZ-CB 3.47Å; F722-A796 VanDerWaalsContact CZ-CB 3.47Å; F722-S806 WeakPolarHBondContact CD2-OG 3.46Å; F722-S806 WeakPolarHBondContact CE2-OG 3.38Å; F722-L808 HydrophobicContact CB-CD2 4.41Å; F722-L808 HydrophobicContact CD1-CB 4.31Å; F722-L808 HydrophobicContact CD1-CD2 3.96Å; F722-L808 HydrophobicContact CD2-CB 3.74Å; F722-L808 HydrophobicContact CE1-CB 4.34Å; F722-L808 HydrophobicContact CE1-CD2 4.39Å; F722-L808 HydrophobicContact CE2-CB 3.76Å; F722-L808 HydrophobicContact CG-CB 4.02Å; F722-L808 HydrophobicContact CG-CD2 4.11Å; F722-L808 HydrophobicContact CZ-CB 4.06Å
723D90.4Very high90.6Very high70 Ų7064.6 Ų64.637%0.37435%0.348SS..  trans-59.9121.3175.2179.2-8.5000110.7Y725 L726 R745D723-Y725 PolarHBondContact O-N 2.6Å; D723-Y725 VanDerWaalsContact O-N 3.15Å; D723-Y725 WeakPolarHBondContact OD1-CD2 3.5Å; D723-Y725 PolarHBondContact OD1-N 2.8Å; D723-L726 HydrophobicContact CB-CD1 3.94Å; D723-L726 HydrophobicContact CB-CG 3.91Å; D723-L726 WeakPolarHBondContact O-CD1 3.29Å; D723-L726 WeakPolarHBondContact O-CG 3.44Å; D723-L726 PolarHBondContact O-N 3.33Å; D723-R745 PolarHBondContact N-O 3.44Å
724P87.1Confident90.7Very high100 Ų10062.5 Ų62.565%0.64934%0.335SS*.THydrogen-bonded Turntrans-65.5-16-17626-35.1000114.4
725Y86.4Confident90.4Very high209 Ų20963.6 Ų63.682%0.8234%0.339SS*.THydrogen-bonded Turntrans-93.54-177-57.3-73.2000114.3D723D723-Y725 PolarHBondContact O-N 2.6Å; D723-Y725 VanDerWaalsContact O-N 3.15Å; D723-Y725 WeakPolarHBondContact OD1-CD2 3.5Å; D723-Y725 PolarHBondContact OD1-N 2.8Å
726L86.1Confident90.1Very high34 Ų3466.5 Ų66.518%0.17835%0.349CS..SBendtrans-67.3138.1179.4-67.4166.5000112.3D723 R728 V744 L808D723-L726 HydrophobicContact CB-CD1 3.94Å; D723-L726 HydrophobicContact CB-CG 3.91Å; D723-L726 WeakPolarHBondContact O-CD1 3.29Å; D723-L726 WeakPolarHBondContact O-CG 3.44Å; D723-L726 PolarHBondContact O-N 3.33Å; L726-R728 PolarHBondContact O-N 3.47Å; L726-V744 HydrophobicContact CD1-CB 4.26Å; L726-L808 HydrophobicContact CD1-CD2 4.41Å
727P87.4Confident89.7Confident82 Ų8267.4 Ų67.453%0.53236%0.36SS..  trans-67.1124.4174.627.4-32.3000110.4L730P727-L730 HydrophobicContact CB-CD2 4.29Å; P727-L730 HydrophobicContact CG-CD2 4.07Å
728R89.6Confident89.6Confident142 Ų14267.8 Ų67.854%0.53636%0.363SS..SBendtrans-88-20.9179.1-61.3-173.8-176.5-137.1-1.1113.7L726 L810 Y811L726-R728 PolarHBondContact O-N 3.47Å; R728-L810 CarbonylContact O-C 3.53Å; R728-L810 WeakPolarHBondContact O-CA 3.37Å; R728-Y811 PolarHBondContact O-N 2.89Å
729N92.3Very high89.5Confident125 Ų12565.6 Ų65.667%0.66835%0.352SS*.EExtended strand (participates in β ladder)trans-103.3114.9177.2-62.9-14.5000108Y811N729-Y811 CarbonylContact C-O 3.58Å; N729-Y811 WeakPolarHBondContact CA-O 3.33Å
730L93.2Very high89.6Confident29 Ų2969.5 Ų69.515%0.15236%0.363CS..EExtended strand (participates in β ladder)trans-118.4162.5-180-57177.3000109P727 V741 L810 Y811 I812 K813P727-L730 HydrophobicContact CB-CD2 4.29Å; P727-L730 HydrophobicContact CG-CD2 4.07Å; L730-V741 HydrophobicContact CB-CG1 4.16Å; L730-V741 HydrophobicContact CD1-CG1 4.15Å; L730-L810 HydrophobicContact CD1-CD1 3.99Å; L730-Y811 PolarHBondContact N-O 3.23Å; L730-I812 HydrophobicContact CB-CG1 4.39Å; L730-I812 WeakPolarHBondContact O-CA 3.43Å; L730-K813 PolarHBondContact O-N 2.75Å
731S92.2Very high89.4Confident65 Ų6569.9 Ų69.946%0.45537%0.365SS..EExtended strand (participates in β ladder)trans-138.1143.9174.757.10000110.3K813S731-K813 CarbonylContact C-O 3.5Å; S731-K813 WeakPolarHBondContact CA-O 3.3Å
732V93.3Very high89.4Confident6 Ų665.9 Ų65.94%0.03634%0.342CS..EExtended strand (participates in β ladder)trans-134.9144.3176.766.90000108.7A739 V741 T778 L782 I812 K813 V814 L815V732-A739 HydrophobicContact CG2-CB 3.78Å; V732-V741 HydrophobicContact CB-CG2 4.17Å; V732-V741 HydrophobicContact CG2-CG2 4.03Å; V732-T778 HydrophobicContact CG2-CG2 3.91Å; V732-L782 HydrophobicContact CG1-CD1 3.75Å; V732-I812 HydrophobicContact CB-CG2 4.46Å; V732-I812 HydrophobicContact CG1-CG2 3.75Å; V732-K813 PolarHBondContact N-O 2.98Å; V732-V814 CarbonylContact O-C 3.57Å; V732-V814 WeakPolarHBondContact O-CA 3.09Å; V732-L815 PolarHBondContact O-N 2.87Å
733V89.4Confident89.3Confident54 Ų5469.5 Ų69.533%0.32736%0.36SS..EExtended strand (participates in β ladder)trans-77.1144.1175-157.10000108.8L815 I817V733-L815 HydrophobicContact CG2-CD1 4.46Å; V733-I817 HydrophobicContact CG1-CD1 3.48Å; V733-I817 VanDerWaalsContact CG1-CD1 3.48Å; V733-I817 HydrophobicContact CG1-CG1 3.47Å; V733-I817 VanDerWaalsContact CG1-CG1 3.47Å
734E91Very high89.5Confident0 Ų066.4 Ų66.40%034%0.343CS..SBendtrans-71175.5174.275.8-174.2115.800113.2E736 L782 R784 V814 L815 D816 I817E734-E736 PolarHBondContact O-N 3.18Å; E734-L782 WeakPolarHBondContact CB-O 3.26Å; E734-R784 HydrophobicContact CB-CB 4.41Å; E734-R784 VanDerWaalsContact CD-CB 3.49Å; E734-R784 WeakPolarHBondContact OE1-CB 3.49Å; E734-R784 IonicContact OE1-NE 3.2Å; E734-R784 WeakPolarHBondContact OE2-CB 3.42Å; E734-R784 PolarHBondContact OE2-N 2.79Å; E734-V814 HydrophobicContact CB-CG1 3.67Å; E734-L815 PolarHBondContact N-O 3.2Å; E734-D816 WeakPolarHBondContact OE1-CA 3.42Å; E734-I817 HydrophobicContact CG-CB 3.84Å; E734-I817 HydrophobicContact CG-CD1 4.11Å; E734-I817 HydrophobicContact CG-CG1 3.9Å; E734-I817 WeakPolarHBondContact O-CD1 3.13Å; E734-I817 PolarHBondContact OE1-N 3.47Å
735E84.7Confident89.7Confident59 Ų5969.6 Ų69.628%0.27634%0.342SS..SBendtrans59.4-1.2177-75.1-59.8117.500118K781 L782 I817 D819E735-K781 WeakPolarHBondContact O-CD 3.49Å; E735-K781 WeakPolarHBondContact O-CE 3.48Å; E735-K781 WeakPolarHBondContact O-CG 3.49Å; E735-K781 PolarHBondContact O-NZ 2.89Å; E735-K781 WeakPolarHBondContact OE2-CD 3.48Å; E735-K781 IonicContact OE2-NZ 3.28Å; E735-K781 PolarHBondContact OE2-NZ 2.83Å; E735-L782 PolarHBondContact N-O 3.33Å; E735-I817 HydrophobicContact CB-CD1 4.3Å; E735-D819 WeakPolarHBondContact CG-OD2 3.49Å
736E82.5Confident90Very high108 Ų10860 Ų6051%0.50531%0.306SS..  trans-99.6114.5173.9-69.7-169.5177.100112.2E734 A739 T778E734-E736 PolarHBondContact O-N 3.18Å; E736-A739 HydrophobicContact CB-CB 3.82Å; E736-T778 PolarHBondContact O-OG1 3.34Å
737A84.3Confident90.3Very high48 Ų4862.6 Ų62.640%0.39732%0.324SS..THydrogen-bonded Turntrans-77.2144.4165.400000109.8A739 K781A737-A739 PolarHBondContact O-N 2.92Å; A737-K781 HydrophobicContact CB-CG 4.06Å
738N87.6Confident90.6Very high88 Ų8859.6 Ų59.647%0.47130%0.303SS..THydrogen-bonded Turntrans63.322.4-177.4-55.7-55.5000114.8R769 Y777 T778N738-R769 PolarHBondContact OD1-NE 3.41Å; N738-R769 PolarHBondContact OD1-NH2 3.29Å; N738-Y777 WeakPolarHBondContact O-CD1 3.38Å; N738-T778 WeakPolarHBondContact CA-O 2.92Å; N738-T778 PolarHBondContact N-O 3.39Å; N738-T778 PolarHBondContact N-OG1 3.25Å; N738-T778 VanDerWaalsContact N-OG1 3.16Å
739A89.6Confident90.7Very high9 Ų956.1 Ų56.17%0.07430%0.299CS..  trans-69.1135.5175.100000110.9V732 E736 A737 V741 Y777 T778V732-A739 HydrophobicContact CG2-CB 3.78Å; E736-A739 HydrophobicContact CB-CB 3.82Å; A737-A739 PolarHBondContact O-N 2.92Å; A739-V741 PolarHBondContact O-N 2.88Å; A739-Y777 CarbonylContact O-C 3.56Å; A739-Y777 WeakPolarHBondContact O-CA 3.47Å; A739-T778 HydrophobicContact CB-CG2 4.32Å; A739-T778 PolarHBondContact N-OG1 3.27Å; A739-T778 PolarHBondContact O-N 3.04Å
740F92.3Very high90.7Very high116 Ų11650.7 Ų50.751%0.50927%0.27SS..EExtended strand (participates in β ladder)trans-74.5119.2176.5177.6-108000110.5G742 Q743 Y777F740-G742 WeakPolarHBondContact CE2-O 3.24Å; F740-G742 VanDerWaalsContact CZ-C 3.5Å; F740-Q743 HydrophobicContact CE2-CB 4.37Å; F740-Q743 HydrophobicContact CZ-CB 4.17Å; F740-Y777 HydrophobicContact CB-CD1 4.14Å; F740-Y777 HydrophobicContact CB-CE1 3.85Å; F740-Y777 HydrophobicContact CD2-CD1 4.38Å; F740-Y777 AromaticContact CD2-CE1 3.78Å; F740-Y777 HydrophobicContact CD2-CE1 3.78Å; F740-Y777 AromaticContact CD2-CZ 3.87Å; F740-Y777 HydrophobicContact CG-CE1 4.3Å
741V92Very high90.4Very high9 Ų951.2 Ų51.26%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-93.2-41-179.2-174.80000111.1L730 V732 A739 F768 I776 T778 I812L730-V741 HydrophobicContact CB-CG1 4.16Å; L730-V741 HydrophobicContact CD1-CG1 4.15Å; V732-V741 HydrophobicContact CB-CG2 4.17Å; V732-V741 HydrophobicContact CG2-CG2 4.03Å; A739-V741 PolarHBondContact O-N 2.88Å; V741-F768 HydrophobicContact CG2-CD1 4.18Å; V741-F768 HydrophobicContact CG2-CE1 4.1Å; V741-I776 HydrophobicContact CB-CB 4.39Å; V741-I776 HydrophobicContact CB-CG2 4.16Å; V741-I776 HydrophobicContact CG2-CG2 4.37Å; V741-I776 PolarHBondContact N-O 3.17Å; V741-T778 HydrophobicContact CG2-CG2 4.09Å; V741-I812 HydrophobicContact CG1-CD1 3.87Å; V741-I812 HydrophobicContact CG1-CG1 3.96Å; V741-I812 HydrophobicContact CG1-CG2 3.98Å
742G92Very high90.2Very high7 Ų751.2 Ų51.27%0.07229%0.288CS..EExtended strand (participates in β ladder)trans166.8-178.8-177.200000112.1F740 I776F740-G742 WeakPolarHBondContact CE2-O 3.24Å; F740-G742 VanDerWaalsContact CZ-C 3.5Å; G742-I776 PolarHBondContact O-N 3Å
743Q92.7Very high90Very high100 Ų10055.8 Ų55.847%0.46731%0.312SS..EExtended strand (participates in β ladder)trans-135.5136.9179.8-173.6175.317.600110.2F740 N773 G774F740-Q743 HydrophobicContact CE2-CB 4.37Å; F740-Q743 HydrophobicContact CZ-CB 4.17Å; Q743-N773 PolarHBondContact NE2-O 3.37Å; Q743-G774 WeakPolarHBondContact CA-O 3.37Å
744V93Very high89.9Confident4 Ų454.9 Ų54.92%0.02431%0.305CS..  trans-109.3157172.4-62.90000110.5F722 L726 Y759 I770 G774 I776 V794 L808 L810F722-V744 HydrophobicContact CD1-CB 4.28Å; F722-V744 HydrophobicContact CE1-CB 4.07Å; F722-V744 HydrophobicContact CE1-CG2 4Å; L726-V744 HydrophobicContact CD1-CB 4.26Å; V744-Y759 HydrophobicContact CG2-CD1 4.12Å; V744-Y759 HydrophobicContact CG2-CE1 4.18Å; V744-I770 HydrophobicContact CG2-CD1 4.1Å; V744-G774 WeakPolarHBondContact CG2-O 3.47Å; V744-G774 PolarHBondContact N-O 3.35Å; V744-I776 HydrophobicContact CG1-CD1 4.32Å; V744-V794 HydrophobicContact CG2-CG1 3.94Å; V744-L808 HydrophobicContact CG1-CD2 3.98Å; V744-L810 HydrophobicContact CG1-CD1 3.92Å
745R92.8Very high89.8Confident168 Ų16855.7 Ų55.763%0.63431%0.313SS*.  trans-141.2130.1174.5-171.1175.8-179.61790.3109.9F722 D723F722-R745 WeakPolarHBondContact CA-O 3.43Å; D723-R745 PolarHBondContact N-O 3.44Å
746A93.1Very high90.1Very high8 Ų857.8 Ų57.87%0.06632%0.323CS..EExtended strand (participates in β ladder)trans-125154.1169.500000110.2P720 V721 F722 V757 Y759 A796P720-A746 HydrophobicContact CB-CB 4.49Å; V721-A746 CarbonylContact O-C 3.54Å; V721-A746 WeakPolarHBondContact O-CA 3.4Å; V721-A746 WeakPolarHBondContact O-CB 3.24Å; F722-A746 HydrophobicContact CD1-CB 3.83Å; F722-A746 HydrophobicContact CE1-CB 4.11Å; F722-A746 HydrophobicContact CG-CB 4.11Å; A746-V757 HydrophobicContact CB-CG1 4.18Å; A746-Y759 HydrophobicContact CB-CE1 3.99Å; A746-Y759 PolarHBondContact N-OH 3.12Å; A746-Y759 PolarHBondContact O-OH 3.27Å; A746-A796 HydrophobicContact CB-CB 3.83Å
747T91.9Very high90.6Very high88 Ų8854.1 Ų54.154%0.5431%0.308SS..EExtended strand (participates in β ladder)trans-133.5139.8178.7530000109.7V721V721-T747 PolarHBondContact N-O 2.89Å; V721-T747 PolarHBondContact O-N 3.45Å
748D93Very high91Very high18 Ų1856 Ų5610%0.09631%0.308CS..  trans-122.7125.9173.8-164.3-46.5000107.9A719 P720 D750 V757A719-D748 WeakPolarHBondContact CA-OD2 3.14Å; P720-D748 HydrophobicContact CB-CB 4.42Å; P720-D748 WeakPolarHBondContact CD-OD2 3.27Å; P720-D748 HydrophobicContact CG-CB 4.29Å; P720-D748 WeakPolarHBondContact CG-OD2 3.45Å; D748-D750 VanDerWaalsContact C-N 3.3Å; D748-D750 WeakPolarHBondContact OD1-CB 3.2Å; D748-D750 PolarHBondContact OD1-N 3.27Å; D748-V757 HydrophobicContact CB-CG2 4Å
749P91.1Very high91.4Very high70 Ų7053.7 Ų53.746%0.45529%0.293SS..  trans-77.7-9.4-176.334.7-39000114.4R683 E684 N718R683-P749 PolarHBondContact NH2-O 2.8Å; R683-P749 VanDerWaalsContact NH2-O 3.17Å; E684-P749 HydrophobicContact CG-CB 3.78Å; E684-P749 HydrophobicContact CG-CG 4.14Å; N718-P749 HydrophobicContact CB-CG 3.59Å
750D93.2Very high91.6Very high10 Ų1055.6 Ų55.65%0.05331%0.306CS..SBendtrans-66.6164.2179.5-65.5-9.3000111.9R683 N716 D717 N718 D748 N754 G755R683-D750 VanDerWaalsContact NH2-C 3.29Å; N716-D750 VanDerWaalsContact CA-OD2 3.31Å; N716-D750 WeakPolarHBondContact CA-OD2 3.48Å; N716-D750 PolarHBondContact OD1-OD2 2.87Å; D717-D750 PolarHBondContact N-OD2 3.36Å; N718-D750 WeakPolarHBondContact CB-OD1 3.49Å; N718-D750 PolarHBondContact N-OD2 3.26Å; N718-D750 PolarHBondContact ND2-OD1 2.89Å; D748-D750 VanDerWaalsContact C-N 3.3Å; D748-D750 WeakPolarHBondContact OD1-CB 3.2Å; D748-D750 PolarHBondContact OD1-N 3.27Å; D750-N754 HydrophobicContact CB-CB 3.72Å; D750-G755 VanDerWaalsContact O-CA 3.25Å; D750-G755 WeakPolarHBondContact O-CA 3.37Å
751A87.2Confident91.7Very high41 Ų4150.7 Ų50.734%0.33929%0.285SS..  trans-95.1146.8-173.300000112.8D714 I753 N754D714-A751 HydrophobicContact CB-CB 3.96Å; D714-A751 VanDerWaalsContact CG-N 3.33Å; D714-A751 PolarHBondContact OD1-N 2.91Å; D714-A751 PolarHBondContact OD2-N 3.47Å; A751-I753 PolarHBondContact O-N 2.92Å; A751-N754 PolarHBondContact O-N 3Å
752G87.9Confident91.7Very high64 Ų6452.7 Ų52.766%0.6631%0.307SS*.G310 helixtrans58.9-129.4174.700000112.3N754 G755 Q756G752-N754 VanDerWaalsContact C-N 3.26Å; G752-N754 PolarHBondContact O-N 3.46Å; G752-G755 PolarHBondContact O-N 2.83Å; G752-Q756 PolarHBondContact O-N 3Å
753I88.3Confident91.7Very high102 Ų10254.6 Ų54.652%0.52332%0.316SS..G310 helixtrans-64.6-30.3-176.6-66.9175000111.9A751 G755 Q756 G799A751-I753 PolarHBondContact O-N 2.92Å; I753-G755 VanDerWaalsContact C-N 3.3Å; I753-G755 PolarHBondContact O-N 2.01Å; I753-Q756 PolarHBondContact O-N 3.3Å; I753-G799 WeakPolarHBondContact CG2-O 3.47Å; I753-G799 CarbonylContact O-C 3.53Å; I753-G799 VanDerWaalsContact O-CA 3.3Å; I753-G799 WeakPolarHBondContact O-CA 3.42Å; I753-G799 PolarHBondContact O-N 3.49Å
754N88.7Confident91.7Very high36 Ų3652 Ų5219%0.19330%0.303CS..G310 helixtrans-70.1-27.9178.3-62.9-21.4000112D714 N716 D750 A751 G752 D798 A800D714-N754 WeakPolarHBondContact OD2-CB 3.44Å; D714-N754 PolarHBondContact OD2-ND2 3.32Å; N716-N754 HydrophobicContact CB-CB 4.02Å; D750-N754 HydrophobicContact CB-CB 3.72Å; A751-N754 PolarHBondContact O-N 3Å; G752-N754 VanDerWaalsContact C-N 3.26Å; G752-N754 PolarHBondContact O-N 3.46Å; N754-D798 WeakPolarHBondContact O-CB 3.38Å; N754-A800 VanDerWaalsContact OD1-CB 3.26Å; N754-A800 WeakPolarHBondContact OD1-CB 3.22Å
755G89.1Confident91.5Very high16 Ų1656.5 Ų56.517%0.16533%0.327CS..G310 helixtrans-93.1-3.5173.200000115D750 G752 I753 V757D750-G755 VanDerWaalsContact O-CA 3.25Å; D750-G755 WeakPolarHBondContact O-CA 3.37Å; G752-G755 PolarHBondContact O-N 2.83Å; I753-G755 VanDerWaalsContact C-N 3.3Å; I753-G755 PolarHBondContact O-N 2.01Å; G755-V757 PolarHBondContact O-N 3.09Å; G755-V757 VanDerWaalsContact O-N 3.16Å
756Q90.9Very high91.3Very high104 Ų10454 Ų5449%0.48633%0.326SS..  trans-81.8100.8-172-168.8175.812.900111.6G752 I753 H758 D798 G799G752-Q756 PolarHBondContact O-N 3Å; I753-Q756 PolarHBondContact O-N 3.3Å; Q756-H758 PolarHBondContact O-N 3.21Å; Q756-H758 PolarHBondContact O-ND1 3.22Å; Q756-D798 CarbonylContact O-C 3.59Å; Q756-D798 WeakPolarHBondContact O-CA 3.35Å; Q756-G799 PolarHBondContact O-N 3.23Å; Q756-G799 VanDerWaalsContact O-N 3.09Å
757V92.3Very high91.3Very high30 Ų3055.2 Ų55.218%0.18233%0.332CS..  trans-75.1126.3-178.1-175.40000112P720 A746 D748 G755 Y759 A796P720-V757 HydrophobicContact CB-CG1 4.36Å; P720-V757 HydrophobicContact CB-CG2 4.06Å; P720-V757 HydrophobicContact CG-CG2 4.33Å; A746-V757 HydrophobicContact CB-CG1 4.18Å; D748-V757 HydrophobicContact CB-CG2 4Å; G755-V757 PolarHBondContact O-N 3.09Å; G755-V757 VanDerWaalsContact O-N 3.16Å; V757-Y759 HydrophobicContact CG1-CD1 4.4Å; V757-Y759 HydrophobicContact CG1-CE1 3.91Å; V757-Y759 HydrophobicContact CG1-CE2 4.29Å; V757-A796 HydrophobicContact CG1-CB 3.88Å
758H92.8Very high91.4Very high88 Ų8851.1 Ų51.141%0.40731%0.306SS..EExtended strand (participates in β ladder)trans-112.6131.7170.2-66.677.5000109.7Q756 A796 T797Q756-H758 PolarHBondContact O-N 3.21Å; Q756-H758 PolarHBondContact O-ND1 3.22Å; H758-A796 WeakPolarHBondContact O-CA 3.41Å; H758-T797 PolarHBondContact N-O 2.8Å; H758-T797 PolarHBondContact O-N 3.43Å; H758-T797 PolarHBondContact O-OG1 3.2Å
759Y95.2Very high91.5Very high39 Ų3956.1 Ų56.115%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-97.3138177.1-58.2-76.1000111.1F722 V744 A746 V757 I770 S772 V795 A796F722-Y759 HydrophobicContact CE1-CD1 4.31Å; F722-Y759 HydrophobicContact CE1-CE1 4.05Å; V744-Y759 HydrophobicContact CG2-CD1 4.12Å; V744-Y759 HydrophobicContact CG2-CE1 4.18Å; A746-Y759 HydrophobicContact CB-CE1 3.99Å; A746-Y759 PolarHBondContact N-OH 3.12Å; A746-Y759 PolarHBondContact O-OH 3.27Å; V757-Y759 HydrophobicContact CG1-CD1 4.4Å; V757-Y759 HydrophobicContact CG1-CE1 3.91Å; V757-Y759 HydrophobicContact CG1-CE2 4.29Å; Y759-I770 HydrophobicContact CG-CD1 4.31Å; Y759-S772 WeakPolarHBondContact CD2-O 3.28Å; Y759-V795 WeakPolarHBondContact CA-O 3.4Å; Y759-A796 HydrophobicContact CD1-CB 4.24Å; Y759-A796 HydrophobicContact CE1-CB 4.23Å
760S94.3Very high91.7Very high49 Ų4954.4 Ų54.434%0.34331%0.31SS..EExtended strand (participates in β ladder)trans-142.9162171.960.20000110.8V795S760-V795 PolarHBondContact N-O 2.88Å; S760-V795 PolarHBondContact O-N 3.16Å
761L94.7Very high91.6Very high14 Ų1456 Ų567%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-96.8129.7174.1-60.3177.7000109N765 F768 I770 L792 V794L761-N765 PolarHBondContact O-ND2 3.32Å; L761-N765 VanDerWaalsContact O-ND2 3.1Å; L761-N765 PolarHBondContact O-OD1 3.41Å; L761-N765 VanDerWaalsContact O-OD1 3.13Å; L761-F768 VanDerWaalsContact CD1-C 3.49Å; L761-F768 HydrophobicContact CD1-CB 3.76Å; L761-F768 WeakPolarHBondContact CD1-O 3.37Å; L761-I770 HydrophobicContact CD2-CB 4.09Å; L761-I770 HydrophobicContact CD2-CD1 4.37Å; L761-I770 HydrophobicContact CD2-CG2 4.15Å; L761-I770 HydrophobicContact CG-CB 4.14Å; L761-I770 HydrophobicContact CG-CG2 3.84Å; L761-L792 HydrophobicContact CD1-CD1 4.43Å; L761-L792 HydrophobicContact CD2-CD1 4.09Å; L761-L792 HydrophobicContact CD2-CD2 4Å; L761-L792 HydrophobicContact CD2-CG 4.12Å; L761-V794 HydrophobicContact CD2-CG2 4.11Å
762G90.7Very high91.7Very high51 Ų5159.6 Ų59.653%0.52634%0.343SS..SBendtrans-82-19.7176.500000113.2V793G762-V793 PolarHBondContact N-O 3.2Å
763N93.3Very high91.8Very high47 Ų4761 Ų6125%0.25134%0.336SS..SBendtrans-150162.2176.262.6-11.6000111.2N765 E791 L792 V793N763-N765 VanDerWaalsContact C-N 3.32Å; N763-N765 PolarHBondContact O-N 3.21Å; N763-N765 PolarHBondContact O-OD1 3.38Å; N763-E791 PolarHBondContact ND2-O 3.48Å; N763-L792 WeakPolarHBondContact O-CD1 3.23Å; N763-V793 PolarHBondContact OD1-N 2.86Å
764F92.2Very high91.9Very high44 Ų4456.1 Ų56.119%0.19331%0.311CS..  trans59.930.6177.7-51.4-69.1000115.7N766 L767 F768 Y790 L792F764-N766 PolarHBondContact O-N 2.68Å; F764-L767 HydrophobicContact CB-CB 4.37Å; F764-L767 HydrophobicContact CD1-CD1 4.09Å; F764-L767 PolarHBondContact O-N 2.92Å; F764-F768 HydrophobicContact CB-CD2 3.85Å; F764-F768 HydrophobicContact CB-CE2 4.35Å; F764-F768 PolarHBondContact O-N 3.18Å; F764-Y790 HydrophobicContact CD1-CD1 4.14Å; F764-Y790 HydrophobicContact CD1-CE1 4.44Å; F764-Y790 HydrophobicContact CD2-CD1 4.42Å; F764-Y790 HydrophobicContact CE1-CD1 4.04Å; F764-Y790 HydrophobicContact CE1-CE1 4.4Å; F764-Y790 HydrophobicContact CE2-CD1 4.31Å; F764-Y790 HydrophobicContact CG-CD1 4.34Å; F764-Y790 HydrophobicContact CZ-CD1 4.13Å; F764-L792 HydrophobicContact CB-CD1 4.16Å; F764-L792 HydrophobicContact CD2-CD1 4.23Å
765N88.4Confident92.1Very high100 Ų10054.7 Ų54.754%0.53530%0.304SS..THydrogen-bonded Turntrans-61.5-15.7179.4-58.241.1000114.1L761 N763 F768L761-N765 PolarHBondContact O-ND2 3.32Å; L761-N765 VanDerWaalsContact O-ND2 3.1Å; L761-N765 PolarHBondContact O-OD1 3.41Å; L761-N765 VanDerWaalsContact O-OD1 3.13Å; N763-N765 VanDerWaalsContact C-N 3.32Å; N763-N765 PolarHBondContact O-N 3.21Å; N763-N765 PolarHBondContact O-OD1 3.38Å; N765-F768 CarbonylContact C-O 3.57Å
766N90.1Very high92.4Very high115 Ų11554 Ų5462%0.61530%0.296SS*.THydrogen-bonded Turntrans-85.4-18.6173.263.6-44.4000113.2F764F764-N766 PolarHBondContact O-N 2.68Å
767L91.9Very high92.6Very high34 Ų3452 Ų5218%0.17829%0.285CS..THydrogen-bonded Turntrans-107.1-32.7-177.5-59.3-178.8000112.7F764 A779 V780 L782 Y790F764-L767 HydrophobicContact CB-CB 4.37Å; F764-L767 HydrophobicContact CD1-CD1 4.09Å; F764-L767 PolarHBondContact O-N 2.92Å; L767-A779 PolarHBondContact O-N 3.47Å; L767-V780 HydrophobicContact CD2-CG2 3.6Å; L767-L782 HydrophobicContact CB-CD2 4.18Å; L767-Y790 HydrophobicContact CD1-CD1 4.31Å; L767-Y790 HydrophobicContact CD1-CE1 3.47Å; L767-Y790 VanDerWaalsContact CD1-CE1 3.47Å
768F95.1Very high92.6Very high1 Ų150.7 Ų50.70%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-123.8152.8179.3-60.2-83.4000110.3V741 L761 F764 N765 I776 Y777 T778 L782 Y790 L792 I812V741-F768 HydrophobicContact CG2-CD1 4.18Å; V741-F768 HydrophobicContact CG2-CE1 4.1Å; L761-F768 VanDerWaalsContact CD1-C 3.49Å; L761-F768 HydrophobicContact CD1-CB 3.76Å; L761-F768 WeakPolarHBondContact CD1-O 3.37Å; F764-F768 HydrophobicContact CB-CD2 3.85Å; F764-F768 HydrophobicContact CB-CE2 4.35Å; F764-F768 PolarHBondContact O-N 3.18Å; N765-F768 CarbonylContact C-O 3.57Å; F768-I776 HydrophobicContact CB-CG2 4.47Å; F768-I776 HydrophobicContact CD1-CG2 4.38Å; F768-Y777 CarbonylContact C-O 3.53Å; F768-Y777 VanDerWaalsContact CA-O 3.31Å; F768-Y777 WeakPolarHBondContact CA-O 3.2Å; F768-T778 HydrophobicContact CD1-CG2 4.34Å; F768-T778 HydrophobicContact CE1-CG2 4.09Å; F768-L782 HydrophobicContact CE1-CD1 3.96Å; F768-L782 HydrophobicContact CZ-CD1 3.78Å; F768-L782 HydrophobicContact CZ-CD2 4.43Å; F768-Y790 AromaticContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD2 4.25Å; F768-Y790 AromaticContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CZ-CD2 4.01Å; F768-Y790 HydrophobicContact CZ-CG 4.03Å; F768-L792 HydrophobicContact CB-CD1 4.27Å; F768-L792 HydrophobicContact CB-CD2 4.25Å; F768-L792 HydrophobicContact CD2-CD1 3.9Å; F768-L792 HydrophobicContact CD2-CD2 4.45Å; F768-L792 HydrophobicContact CG-CD1 4.26Å; F768-L792 HydrophobicContact CG-CD2 4.16Å; F768-I812 HydrophobicContact CD1-CD1 4.33Å; F768-I812 HydrophobicContact CE1-CD1 3.8Å; F768-I812 HydrophobicContact CE2-CD1 4.38Å; F768-I812 HydrophobicContact CZ-CD1 3.84Å
769R94.1Very high92.5Very high123 Ų12348.2 Ų48.246%0.46427%0.271SS..EExtended strand (participates in β ladder)trans-129.1151170.164.1178.6-178.7149.4-1.2110.3N738 I776 Y777 A779N738-R769 PolarHBondContact OD1-NE 3.41Å; N738-R769 PolarHBondContact OD1-NH2 3.29Å; R769-I776 WeakPolarHBondContact O-CA 3.08Å; R769-Y777 PolarHBondContact N-O 2.83Å; R769-Y777 PolarHBondContact O-N 2.8Å; R769-A779 HydrophobicContact CB-CB 4.42Å; R769-A779 HydrophobicContact CG-CB 4.47Å
770I94.5Very high92.3Very high34 Ų3449.4 Ų49.417%0.17428%0.282CS..EExtended strand (participates in β ladder)trans-123.9134.5176.9-168.3161.9000109.5V744 Y759 L761 S775 I776 V794V744-I770 HydrophobicContact CG2-CD1 4.1Å; Y759-I770 HydrophobicContact CG-CD1 4.31Å; L761-I770 HydrophobicContact CD2-CB 4.09Å; L761-I770 HydrophobicContact CD2-CD1 4.37Å; L761-I770 HydrophobicContact CD2-CG2 4.15Å; L761-I770 HydrophobicContact CG-CB 4.14Å; L761-I770 HydrophobicContact CG-CG2 3.84Å; I770-S775 WeakPolarHBondContact CA-O 3.21Å; I770-I776 HydrophobicContact CD1-CD1 4.45Å; I770-I776 HydrophobicContact CD1-CG1 3.91Å; I770-I776 HydrophobicContact CG1-CG1 4.09Å; I770-V794 HydrophobicContact CD1-CG1 3.53Å
771T93Very high92Very high45 Ų4552.6 Ų52.628%0.27629%0.29SS..  trans-85.5165.7177.451.30000111.2N773 G774 S775 Y777T771-N773 WeakPolarHBondContact CB-OD1 3.35Å; T771-N773 PolarHBondContact O-N 3.11Å; T771-N773 VanDerWaalsContact O-N 3.17Å; T771-N773 PolarHBondContact OG1-OD1 3.08Å; T771-G774 PolarHBondContact O-N 2.8Å; T771-S775 PolarHBondContact N-O 2.96Å; T771-S775 WeakPolarHBondContact OG1-CA 3.41Å; T771-S775 WeakPolarHBondContact OG1-CB 3.31Å; T771-S775 PolarHBondContact OG1-N 2.69Å; T771-S775 VanDerWaalsContact OG1-N 3.09Å; T771-S775 PolarHBondContact OG1-O 2.9Å; T771-S775 VanDerWaalsContact OG1-O 3.06Å; T771-Y777 HydrophobicContact CG2-CD2 4.16Å; T771-Y777 HydrophobicContact CG2-CE2 3.86Å
772S87.8Confident91.9Very high116 Ų11652 Ų5281%0.81129%0.287SS*.THydrogen-bonded Turntrans-60.1-24.917853.20000113.9Y759Y759-S772 WeakPolarHBondContact CD2-O 3.28Å
773N90Very high91.8Very high93 Ų9352.3 Ų52.350%0.49728%0.276SS..THydrogen-bonded Turntrans-89.67.317571.7-11.4000114.3Q743 T771 S775Q743-N773 PolarHBondContact NE2-O 3.37Å; T771-N773 WeakPolarHBondContact CB-OD1 3.35Å; T771-N773 PolarHBondContact O-N 3.11Å; T771-N773 VanDerWaalsContact O-N 3.17Å; T771-N773 PolarHBondContact OG1-OD1 3.08Å; N773-S775 PolarHBondContact OD1-N 2.89Å
774G91.1Very high91.8Very high0 Ų051.1 Ų51.10%027%0.269CS..SBendtrans85.19.317500000115.9Q743 V744 T771Q743-G774 WeakPolarHBondContact CA-O 3.37Å; V744-G774 WeakPolarHBondContact CG2-O 3.47Å; V744-G774 PolarHBondContact N-O 3.35Å; T771-G774 PolarHBondContact O-N 2.8Å
775S93.6Very high91.7Very high6 Ų651.7 Ų51.74%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-79.8135174.8-63.70000111.3I770 T771 N773I770-S775 WeakPolarHBondContact CA-O 3.21Å; T771-S775 PolarHBondContact N-O 2.96Å; T771-S775 WeakPolarHBondContact OG1-CA 3.41Å; T771-S775 WeakPolarHBondContact OG1-CB 3.31Å; T771-S775 PolarHBondContact OG1-N 2.69Å; T771-S775 VanDerWaalsContact OG1-N 3.09Å; T771-S775 PolarHBondContact OG1-O 2.9Å; T771-S775 VanDerWaalsContact OG1-O 3.06Å; N773-S775 PolarHBondContact OD1-N 2.89Å
776I94.4Very high91.7Very high0 Ų051 Ų510%028%0.28CS..EExtended strand (participates in β ladder)trans-107.7129.5-176.2-57.2169.2000108.9V741 G742 V744 F768 R769 I770 L792 V794 L810V741-I776 HydrophobicContact CB-CB 4.39Å; V741-I776 HydrophobicContact CB-CG2 4.16Å; V741-I776 HydrophobicContact CG2-CG2 4.37Å; V741-I776 PolarHBondContact N-O 3.17Å; G742-I776 PolarHBondContact O-N 3Å; V744-I776 HydrophobicContact CG1-CD1 4.32Å; F768-I776 HydrophobicContact CB-CG2 4.47Å; F768-I776 HydrophobicContact CD1-CG2 4.38Å; R769-I776 WeakPolarHBondContact O-CA 3.08Å; I770-I776 HydrophobicContact CD1-CD1 4.45Å; I770-I776 HydrophobicContact CD1-CG1 3.91Å; I770-I776 HydrophobicContact CG1-CG1 4.09Å; I776-L792 HydrophobicContact CD1-CD2 4.19Å; I776-L792 HydrophobicContact CG2-CD2 3.78Å; I776-V794 HydrophobicContact CD1-CG2 3.83Å; I776-L810 HydrophobicContact CD1-CD1 3.46Å; I776-L810 VanDerWaalsContact CD1-CD1 3.46Å
777Y94.7Very high91.7Very high64 Ų6450.6 Ų50.625%0.25127%0.27SS..EExtended strand (participates in β ladder)trans-126.8155177.9-60.9-91.6000110.9N738 A739 F740 F768 R769 T771N738-Y777 WeakPolarHBondContact O-CD1 3.38Å; A739-Y777 CarbonylContact O-C 3.56Å; A739-Y777 WeakPolarHBondContact O-CA 3.47Å; F740-Y777 HydrophobicContact CB-CD1 4.14Å; F740-Y777 HydrophobicContact CB-CE1 3.85Å; F740-Y777 HydrophobicContact CD2-CD1 4.38Å; F740-Y777 AromaticContact CD2-CE1 3.78Å; F740-Y777 HydrophobicContact CD2-CE1 3.78Å; F740-Y777 AromaticContact CD2-CZ 3.87Å; F740-Y777 HydrophobicContact CG-CE1 4.3Å; F768-Y777 CarbonylContact C-O 3.53Å; F768-Y777 VanDerWaalsContact CA-O 3.31Å; F768-Y777 WeakPolarHBondContact CA-O 3.2Å; R769-Y777 PolarHBondContact N-O 2.83Å; R769-Y777 PolarHBondContact O-N 2.8Å; T771-Y777 HydrophobicContact CG2-CD2 4.16Å; T771-Y777 HydrophobicContact CG2-CE2 3.86Å
778T93.3Very high91.7Very high1 Ų152.8 Ų52.81%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-67.5133.3162.658.50000109.1V732 E736 N738 A739 V741 F768 V780 L782V732-T778 HydrophobicContact CG2-CG2 3.91Å; E736-T778 PolarHBondContact O-OG1 3.34Å; N738-T778 WeakPolarHBondContact CA-O 2.92Å; N738-T778 PolarHBondContact N-O 3.39Å; N738-T778 PolarHBondContact N-OG1 3.25Å; N738-T778 VanDerWaalsContact N-OG1 3.16Å; A739-T778 HydrophobicContact CB-CG2 4.32Å; A739-T778 PolarHBondContact N-OG1 3.27Å; A739-T778 PolarHBondContact O-N 3.04Å; V741-T778 HydrophobicContact CG2-CG2 4.09Å; F768-T778 HydrophobicContact CD1-CG2 4.34Å; F768-T778 HydrophobicContact CE1-CG2 4.09Å; T778-V780 WeakPolarHBondContact CB-O 3.34Å; T778-L782 HydrophobicContact CG2-CD1 3.82Å; T778-L782 HydrophobicContact CG2-CG 4.02Å
779A90.1Very high91.6Very high37 Ų3757.2 Ų57.231%0.30630%0.303SS..SBendtrans-87.5-31.2174.600000111.2L767 R769L767-A779 PolarHBondContact O-N 3.47Å; R769-A779 HydrophobicContact CB-CB 4.42Å; R769-A779 HydrophobicContact CG-CB 4.47Å
780V90.1Very high91.6Very high63 Ų6352.1 Ų52.138%0.38228%0.283SS..SBendtrans-130.9163.5176.2-58.90000109L767 T778 L782L767-V780 HydrophobicContact CD2-CG2 3.6Å; T778-V780 WeakPolarHBondContact CB-O 3.34Å; V780-L782 PolarHBondContact O-N 3.19Å
781K89.5Confident91.6Very high116 Ų11655 Ų5550%0.50430%0.296SS..  trans-59.4126.2168.6-62.3-179.8154.6-147.80109.6E735 A737E735-K781 WeakPolarHBondContact O-CD 3.49Å; E735-K781 WeakPolarHBondContact O-CE 3.48Å; E735-K781 WeakPolarHBondContact O-CG 3.49Å; E735-K781 PolarHBondContact O-NZ 2.89Å; E735-K781 WeakPolarHBondContact OE2-CD 3.48Å; E735-K781 IonicContact OE2-NZ 3.28Å; E735-K781 PolarHBondContact OE2-NZ 2.83Å; A737-K781 HydrophobicContact CB-CG 4.06Å
782L91.2Very high91.6Very high3 Ų352.9 Ų52.92%0.01628%0.283CS..  trans-84.9146.6171.6-57.2-178.5000108V732 E734 E735 L767 F768 T778 V780 Y790 V814V732-L782 HydrophobicContact CG1-CD1 3.75Å; E734-L782 WeakPolarHBondContact CB-O 3.26Å; E735-L782 PolarHBondContact N-O 3.33Å; L767-L782 HydrophobicContact CB-CD2 4.18Å; F768-L782 HydrophobicContact CE1-CD1 3.96Å; F768-L782 HydrophobicContact CZ-CD1 3.78Å; F768-L782 HydrophobicContact CZ-CD2 4.43Å; T778-L782 HydrophobicContact CG2-CD1 3.82Å; T778-L782 HydrophobicContact CG2-CG 4.02Å; V780-L782 PolarHBondContact O-N 3.19Å; L782-Y790 HydrophobicContact CD1-CE2 4.22Å; L782-V814 HydrophobicContact CD1-CG2 4.16Å
783N90.1Very high92Very high56 Ų5649.1 Ų49.130%0.29926%0.255SS..  trans-117.8121.2170.4170.5-74000107.5E785 A786 R787N783-E785 PolarHBondContact ND2-OE2 3.1Å; N783-E785 PolarHBondContact OD1-N 2.78Å; N783-E785 VanDerWaalsContact OD1-N 3.14Å; N783-E785 PolarHBondContact OD1-OE2 3.13Å; N783-A786 HydrophobicContact CB-CB 4.5Å; N783-A786 WeakPolarHBondContact OD1-CB 3.45Å; N783-A786 PolarHBondContact OD1-N 3.46Å; N783-R787 PolarHBondContact O-N 3.22Å
784R92.8Very high92.2Very high23 Ų2344.7 Ų44.79%0.08723%0.232CC..THydrogen-bonded Turntrans-73.2-34.6-174.3-173.3-158.362.881.5-8.1111.3E734 A786 R787 D788 V814 D816 V851E734-R784 HydrophobicContact CB-CB 4.41Å; E734-R784 VanDerWaalsContact CD-CB 3.49Å; E734-R784 WeakPolarHBondContact OE1-CB 3.49Å; E734-R784 IonicContact OE1-NE 3.2Å; E734-R784 WeakPolarHBondContact OE2-CB 3.42Å; E734-R784 PolarHBondContact OE2-N 2.79Å; R784-A786 PolarHBondContact O-N 2.94Å; R784-R787 CarbonylContact O-C 3.56Å; R784-R787 PolarHBondContact O-N 3.1Å; R784-R787 VanDerWaalsContact O-N 3.13Å; R784-D788 HydrophobicContact CG-CB 3.98Å; R784-D788 PolarHBondContact O-N 2.81Å; R784-V814 HydrophobicContact CB-CB 4.26Å; R784-V814 HydrophobicContact CB-CG1 3.73Å; R784-V814 HydrophobicContact CG-CB 4.07Å; R784-V814 HydrophobicContact CG-CG1 4.03Å; R784-D816 IonicContact CZ-OD1 3.87Å; R784-D816 IonicContact NE-OD1 3.16Å; R784-D816 PolarHBondContact NE-OD1 2.56Å; R784-D816 IonicContact NH2-OD1 3.03Å; R784-D816 PolarHBondContact NH2-OD1 2.86Å; R784-V851 PolarHBondContact NH2-O 2.92Å
785E89.5Confident92.4Very high55 Ų5545.7 Ų45.726%0.25724%0.237SC..THydrogen-bonded Turntrans-62.7-32.9-179.1-6856.3-106.200110.8N783 V851N783-E785 PolarHBondContact ND2-OE2 3.1Å; N783-E785 PolarHBondContact OD1-N 2.78Å; N783-E785 VanDerWaalsContact OD1-N 3.14Å; N783-E785 PolarHBondContact OD1-OE2 3.13Å; E785-V851 HydrophobicContact CG-CB 4.05Å; E785-V851 HydrophobicContact CG-CG2 3.74Å
786A88.8Confident92.4Very high87 Ų8745.4 Ų45.472%0.71924%0.235SC*.THydrogen-bonded Turntrans-76.2-43.5173.600000112N783 R784N783-A786 HydrophobicContact CB-CB 4.5Å; N783-A786 WeakPolarHBondContact OD1-CB 3.45Å; N783-A786 PolarHBondContact OD1-N 3.46Å; R784-A786 PolarHBondContact O-N 2.94Å
787R90.6Very high92.4Very high105 Ų10547.1 Ų47.140%0.39625%0.246SC..  trans-159.8116178.5-173.3168.8-177.8160.68.3112.4N783 R784 H789 Y790N783-R787 PolarHBondContact O-N 3.22Å; R784-R787 CarbonylContact O-C 3.56Å; R784-R787 PolarHBondContact O-N 3.1Å; R784-R787 VanDerWaalsContact O-N 3.13Å; R787-H789 WeakPolarHBondContact CG-O 3.42Å; R787-H789 PolarHBondContact NE-O 3.39Å; R787-Y790 HydrophobicContact CG-CE1 4.18Å; R787-Y790 HydrophobicContact CG-CE2 4.35Å
788D90.3Very high92.4Very high80 Ų8044.3 Ų44.343%0.42824%0.236SC..SBendtrans-87.1-11-173.768.6-17.8000115.2R784 V814R784-D788 HydrophobicContact CG-CB 3.98Å; R784-D788 PolarHBondContact O-N 2.81Å; D788-V814 PolarHBondContact O-N 2.97Å
789H93.3Very high92.1Very high95 Ų9545.6 Ų45.644%0.4425%0.249SC..EExtended strand (participates in β ladder)trans-149.8151178.269.3-79.4000114.5R787 I812R787-H789 WeakPolarHBondContact CG-O 3.42Å; R787-H789 PolarHBondContact NE-O 3.39Å; H789-I812 CarbonylContact C-O 3.54Å; H789-I812 VanDerWaalsContact CA-O 3.26Å; H789-I812 WeakPolarHBondContact CA-O 2.94Å
790Y94.1Very high91.8Very high15 Ų1544.5 Ų44.56%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-131.8136178.7-62.2-91.4000111.3F764 L767 F768 L782 R787 I812 V814F764-Y790 HydrophobicContact CD1-CD1 4.14Å; F764-Y790 HydrophobicContact CD1-CE1 4.44Å; F764-Y790 HydrophobicContact CD2-CD1 4.42Å; F764-Y790 HydrophobicContact CE1-CD1 4.04Å; F764-Y790 HydrophobicContact CE1-CE1 4.4Å; F764-Y790 HydrophobicContact CE2-CD1 4.31Å; F764-Y790 HydrophobicContact CG-CD1 4.34Å; F764-Y790 HydrophobicContact CZ-CD1 4.13Å; L767-Y790 HydrophobicContact CD1-CD1 4.31Å; L767-Y790 HydrophobicContact CD1-CE1 3.47Å; L767-Y790 VanDerWaalsContact CD1-CE1 3.47Å; F768-Y790 AromaticContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD1 4Å; F768-Y790 HydrophobicContact CE2-CD2 4.25Å; F768-Y790 AromaticContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CE2-CG 3.85Å; F768-Y790 HydrophobicContact CZ-CD2 4.01Å; F768-Y790 HydrophobicContact CZ-CG 4.03Å; L782-Y790 HydrophobicContact CD1-CE2 4.22Å; R787-Y790 HydrophobicContact CG-CE1 4.18Å; R787-Y790 HydrophobicContact CG-CE2 4.35Å; Y790-I812 PolarHBondContact N-O 2.97Å; Y790-I812 PolarHBondContact O-N 2.83Å; Y790-V814 HydrophobicContact CD2-CG2 3.97Å; Y790-V814 HydrophobicContact CE2-CG2 3.68Å
791E94.3Very high91.5Very high95 Ų9547.9 Ų47.944%0.44426%0.26SS..EExtended strand (participates in β ladder)trans-9988167.9-64.8-172.8173.800108.5N763 T809 L810 Y811N763-E791 PolarHBondContact ND2-O 3.48Å; E791-T809 HydrophobicContact CB-CG2 4.23Å; E791-L810 CarbonylContact C-O 3.55Å; E791-L810 WeakPolarHBondContact CA-O 3.33Å; E791-Y811 HydrophobicContact CG-CD1 3.83Å; E791-Y811 HydrophobicContact CG-CE1 3.72Å; E791-Y811 WeakPolarHBondContact OE1-CE1 3.33Å
792L94.6Very high91.3Very high0 Ų050.1 Ų50.10%027%0.272CS..EExtended strand (participates in β ladder)trans-83.7123.2-175.9-173.267.6000110.4L761 N763 F764 F768 I776 T809 L810 I812L761-L792 HydrophobicContact CD1-CD1 4.43Å; L761-L792 HydrophobicContact CD2-CD1 4.09Å; L761-L792 HydrophobicContact CD2-CD2 4Å; L761-L792 HydrophobicContact CD2-CG 4.12Å; N763-L792 WeakPolarHBondContact O-CD1 3.23Å; F764-L792 HydrophobicContact CB-CD1 4.16Å; F764-L792 HydrophobicContact CD2-CD1 4.23Å; F768-L792 HydrophobicContact CB-CD1 4.27Å; F768-L792 HydrophobicContact CB-CD2 4.25Å; F768-L792 HydrophobicContact CD2-CD1 3.9Å; F768-L792 HydrophobicContact CD2-CD2 4.45Å; F768-L792 HydrophobicContact CG-CD1 4.26Å; F768-L792 HydrophobicContact CG-CD2 4.16Å; I776-L792 HydrophobicContact CD1-CD2 4.19Å; I776-L792 HydrophobicContact CG2-CD2 3.78Å; L792-T809 CarbonylContact O-C 3.42Å; L792-T809 WeakPolarHBondContact O-CA 2.99Å; L792-L810 PolarHBondContact N-O 3.32Å; L792-L810 PolarHBondContact O-N 2.82Å; L792-I812 HydrophobicContact CB-CD1 3.69Å; L792-I812 HydrophobicContact CD2-CD1 3.69Å; L792-I812 HydrophobicContact CG-CD1 4.32Å
793V94.9Very high91.2Very high38 Ų3853.2 Ų53.223%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-98115.3177.9-178.20000108.7G762 N763 V795 T809G762-V793 PolarHBondContact N-O 3.2Å; N763-V793 PolarHBondContact OD1-N 2.86Å; V793-V795 HydrophobicContact CG1-CG2 4.45Å; V793-T809 HydrophobicContact CG2-CG2 4.43Å
794V94.8Very high91.3Very high0 Ų055.6 Ų55.60%030%0.297CS..EExtended strand (participates in β ladder)trans-98.9133173.8-170.80000109.1F722 V744 L761 I770 I776 T807 L808 L810F722-V794 HydrophobicContact CE1-CG1 4.35Å; F722-V794 HydrophobicContact CZ-CB 4.41Å; F722-V794 HydrophobicContact CZ-CG1 4.14Å; V744-V794 HydrophobicContact CG2-CG1 3.94Å; L761-V794 HydrophobicContact CD2-CG2 4.11Å; I770-V794 HydrophobicContact CD1-CG1 3.53Å; I776-V794 HydrophobicContact CD1-CG2 3.83Å; V794-T807 CarbonylContact O-C 3.56Å; V794-T807 WeakPolarHBondContact O-CA 3.46Å; V794-L808 PolarHBondContact N-O 3.28Å; V794-L808 PolarHBondContact O-N 2.96Å; V794-L810 HydrophobicContact CG2-CD1 3.8Å; V794-L810 HydrophobicContact CG2-CG 4.41Å
795V94.7Very high91.3Very high20 Ų2060.2 Ų60.212%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-114127-179.7-170.90000108.4Y759 S760 V793 T797 H805 S806 T807Y759-V795 WeakPolarHBondContact CA-O 3.4Å; S760-V795 PolarHBondContact N-O 2.88Å; S760-V795 PolarHBondContact O-N 3.16Å; V793-V795 HydrophobicContact CG1-CG2 4.45Å; V795-T797 HydrophobicContact CG1-CG2 4.05Å; V795-H805 HydrophobicContact CG1-CB 4.14Å; V795-S806 WeakPolarHBondContact CA-O 3.26Å; V795-T807 HydrophobicContact CG1-CG2 4.3Å; V795-T807 HydrophobicContact CG2-CG2 4.09Å
796A95Very high91.5Very high0 Ų058.9 Ų58.90%032%0.317CS..EExtended strand (participates in β ladder)trans-105.5118.4169.500000108.2P720 F722 A746 V757 H758 Y759 H805 S806P720-A796 HydrophobicContact CB-CB 3.94Å; F722-A796 HydrophobicContact CE1-CB 4.11Å; F722-A796 HydrophobicContact CE2-CB 3.73Å; F722-A796 HydrophobicContact CZ-CB 3.47Å; F722-A796 VanDerWaalsContact CZ-CB 3.47Å; A746-A796 HydrophobicContact CB-CB 3.83Å; V757-A796 HydrophobicContact CG1-CB 3.88Å; H758-A796 WeakPolarHBondContact O-CA 3.41Å; Y759-A796 HydrophobicContact CD1-CB 4.24Å; Y759-A796 HydrophobicContact CE1-CB 4.23Å; A796-H805 CarbonylContact O-C 3.44Å; A796-H805 WeakPolarHBondContact O-CA 3.22Å; A796-H805 WeakPolarHBondContact O-CB 3.27Å; A796-S806 PolarHBondContact N-O 2.82Å; A796-S806 PolarHBondContact O-N 2.96Å
797T94Very high91.8Very high37 Ų3758.9 Ų58.923%0.22731%0.307CS..EExtended strand (participates in β ladder)trans-115.7140.2178.746.50000109.6H758 V795 R804 H805H758-T797 PolarHBondContact N-O 2.8Å; H758-T797 PolarHBondContact O-N 3.43Å; H758-T797 PolarHBondContact O-OG1 3.2Å; V795-T797 HydrophobicContact CG1-CG2 4.05Å; T797-R804 WeakPolarHBondContact CA-O 3.46Å; T797-H805 HydrophobicContact CG2-CB 3.53Å
798D93.7Very high91.9Very high5 Ų554.4 Ų54.43%0.02729%0.292CS..  trans-70.7171.2165.868.648.7000111.5N716 P720 N754 Q756 A800 P803 R804N716-D798 VanDerWaalsContact ND2-CG 3.34Å; N716-D798 PolarHBondContact ND2-OD1 2.7Å; N716-D798 PolarHBondContact ND2-OD2 2.67Å; P720-D798 HydrophobicContact CG-CB 4.15Å; N754-D798 WeakPolarHBondContact O-CB 3.38Å; Q756-D798 CarbonylContact O-C 3.59Å; Q756-D798 WeakPolarHBondContact O-CA 3.35Å; D798-A800 WeakPolarHBondContact OD1-CB 3.35Å; D798-A800 PolarHBondContact OD1-N 2.79Å; D798-P803 WeakPolarHBondContact OD1-CA 3.4Å; D798-P803 WeakPolarHBondContact OD1-CB 3.4Å; D798-R804 PolarHBondContact N-O 2.8Å; D798-R804 PolarHBondContact OD1-N 2.97Å; D798-R804 WeakPolarHBondContact OD2-CA 3.49Å; D798-R804 VanDerWaalsContact OD2-CB 3.24Å; D798-R804 WeakPolarHBondContact OD2-CB 3.36Å; D798-R804 PolarHBondContact OD2-N 2.88Å
799G86.9Confident92.1Very high28 Ų2852.9 Ų52.929%0.28929%0.285SS..SBendtrans-88.83.6-179.900000114.7I753 Q756I753-G799 WeakPolarHBondContact CG2-O 3.47Å; I753-G799 CarbonylContact O-C 3.53Å; I753-G799 VanDerWaalsContact O-CA 3.3Å; I753-G799 WeakPolarHBondContact O-CA 3.42Å; I753-G799 PolarHBondContact O-N 3.49Å; Q756-G799 PolarHBondContact O-N 3.23Å; Q756-G799 VanDerWaalsContact O-N 3.09Å
800A85.6Confident92.1Very high13 Ų1348.4 Ų48.411%0.10726%0.264CS..SBendtrans-68.2164.4-169.700000113N716 N754 D798 H802 P803N716-A800 HydrophobicContact CB-CB 4.44Å; N716-A800 WeakPolarHBondContact ND2-CB 3.41Å; N754-A800 VanDerWaalsContact OD1-CB 3.26Å; N754-A800 WeakPolarHBondContact OD1-CB 3.22Å; D798-A800 WeakPolarHBondContact OD1-CB 3.35Å; D798-A800 PolarHBondContact OD1-N 2.79Å; A800-H802 PolarHBondContact O-N 2.81Å; A800-P803 WeakPolarHBondContact O-CD 3.31Å
801V82.6Confident92.1Very high134 Ų13453 Ų5381%0.81228%0.282SS*.SBendtrans-61-34.1175.2178.10000111.8P803V801-P803 WeakPolarHBondContact O-CD 3.41Å
802H85Confident92.1Very high163 Ų16348.6 Ų48.676%0.75526%0.262SS*.SBendtrans-117.379.8173.5-66.6-67.7000108.9A800A800-H802 PolarHBondContact O-N 2.81Å
803P89.3Confident92.1Very high68 Ų6855 Ų5544%0.44229%0.289SS..  trans-72.9139.4-163.227.7-34.5000112.3D798 A800 V801D798-P803 WeakPolarHBondContact OD1-CA 3.4Å; D798-P803 WeakPolarHBondContact OD1-CB 3.4Å; A800-P803 WeakPolarHBondContact O-CD 3.31Å; V801-P803 WeakPolarHBondContact O-CD 3.41Å
804R92Very high92Very high106 Ų10653.3 Ų53.340%0.428%0.28SS..  trans-100.6149.7173.1-52.9177.1100.4-160.317.6107.9N716 D717 N718 A719 T797 D798N716-R804 WeakPolarHBondContact OD1-CD 3.34Å; D717-R804 VanDerWaalsContact CA-NH1 3.3Å; D717-R804 PolarHBondContact O-NH1 2.93Å; N718-R804 VanDerWaalsContact C-NH1 3.34Å; N718-R804 VanDerWaalsContact O-CD 3.31Å; N718-R804 WeakPolarHBondContact O-CD 3.48Å; N718-R804 PolarHBondContact O-NH1 2.98Å; A719-R804 HydrophobicContact CB-CB 3.85Å; T797-R804 WeakPolarHBondContact CA-O 3.46Å; D798-R804 PolarHBondContact N-O 2.8Å; D798-R804 PolarHBondContact OD1-N 2.97Å; D798-R804 WeakPolarHBondContact OD2-CA 3.49Å; D798-R804 VanDerWaalsContact OD2-CB 3.24Å; D798-R804 WeakPolarHBondContact OD2-CB 3.36Å; D798-R804 PolarHBondContact OD2-N 2.88Å
805H93.7Very high91.7Very high120 Ų12056.7 Ų56.756%0.55630%0.297SS*.EExtended strand (participates in β ladder)trans-146.6155-171.364.7-87.6000112.8V795 A796 T797V795-H805 HydrophobicContact CG1-CB 4.14Å; A796-H805 CarbonylContact O-C 3.44Å; A796-H805 WeakPolarHBondContact O-CA 3.22Å; A796-H805 WeakPolarHBondContact O-CB 3.27Å; T797-H805 HydrophobicContact CG2-CB 3.53Å
806S94.2Very high91.4Very high28 Ų2858.3 Ų58.320%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-128.6158168.468.10000110.7P720 F722 V795 A796P720-S806 WeakPolarHBondContact O-CB 3.28Å; P720-S806 PolarHBondContact O-OG 2.77Å; F722-S806 WeakPolarHBondContact CD2-OG 3.46Å; F722-S806 WeakPolarHBondContact CE2-OG 3.38Å; V795-S806 WeakPolarHBondContact CA-O 3.26Å; A796-S806 PolarHBondContact N-O 2.82Å; A796-S806 PolarHBondContact O-N 2.96Å
807T94.1Very high91Very high86 Ų8661 Ų6153%0.52832%0.319SS..EExtended strand (participates in β ladder)trans-126.6139.4-177.260.50000111.1V794 V795V794-T807 CarbonylContact O-C 3.56Å; V794-T807 WeakPolarHBondContact O-CA 3.46Å; V795-T807 HydrophobicContact CG1-CG2 4.3Å; V795-T807 HydrophobicContact CG2-CG2 4.09Å
808L93.6Very high90.5Very high12 Ų1261.1 Ų61.16%0.06332%0.318CS..EExtended strand (participates in β ladder)trans-126.3127175177.666000109.9F722 L726 V744 V794 L810F722-L808 HydrophobicContact CB-CD2 4.41Å; F722-L808 HydrophobicContact CD1-CB 4.31Å; F722-L808 HydrophobicContact CD1-CD2 3.96Å; F722-L808 HydrophobicContact CD2-CB 3.74Å; F722-L808 HydrophobicContact CE1-CB 4.34Å; F722-L808 HydrophobicContact CE1-CD2 4.39Å; F722-L808 HydrophobicContact CE2-CB 3.76Å; F722-L808 HydrophobicContact CG-CB 4.02Å; F722-L808 HydrophobicContact CG-CD2 4.11Å; F722-L808 HydrophobicContact CZ-CB 4.06Å; L726-L808 HydrophobicContact CD1-CD2 4.41Å; V744-L808 HydrophobicContact CG1-CD2 3.98Å; V794-L808 PolarHBondContact N-O 3.28Å; V794-L808 PolarHBondContact O-N 2.96Å; L808-L810 HydrophobicContact CD2-CD2 3.95Å; L808-L810 HydrophobicContact CG-CD2 4.14Å
809T93.7Very high90.2Very high47 Ų4762.7 Ų62.729%0.28833%0.327SS..EExtended strand (participates in β ladder)trans-95.7124.1174.2-49.40000110.4E791 L792 V793E791-T809 HydrophobicContact CB-CG2 4.23Å; L792-T809 CarbonylContact O-C 3.42Å; L792-T809 WeakPolarHBondContact O-CA 2.99Å; V793-T809 HydrophobicContact CG2-CG2 4.43Å
810L93.9Very high90.2Very high1 Ų163.6 Ų63.61%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-107.6137.6175.5-57.8174.6000109.7R728 L730 V744 I776 E791 L792 V794 L808R728-L810 CarbonylContact O-C 3.53Å; R728-L810 WeakPolarHBondContact O-CA 3.37Å; L730-L810 HydrophobicContact CD1-CD1 3.99Å; V744-L810 HydrophobicContact CG1-CD1 3.92Å; I776-L810 HydrophobicContact CD1-CD1 3.46Å; I776-L810 VanDerWaalsContact CD1-CD1 3.46Å; E791-L810 CarbonylContact C-O 3.55Å; E791-L810 WeakPolarHBondContact CA-O 3.33Å; L792-L810 PolarHBondContact N-O 3.32Å; L792-L810 PolarHBondContact O-N 2.82Å; V794-L810 HydrophobicContact CG2-CD1 3.8Å; V794-L810 HydrophobicContact CG2-CG 4.41Å; L808-L810 HydrophobicContact CD2-CD2 3.95Å; L808-L810 HydrophobicContact CG-CD2 4.14Å
811Y94.8Very high90.4Very high112 Ų11264.7 Ų64.744%0.43933%0.332SS..EExtended strand (participates in β ladder)trans-99.9109.7174.8-65.3-86.6000109R728 N729 L730 E791R728-Y811 PolarHBondContact O-N 2.89Å; N729-Y811 CarbonylContact C-O 3.58Å; N729-Y811 WeakPolarHBondContact CA-O 3.33Å; L730-Y811 PolarHBondContact N-O 3.23Å; E791-Y811 HydrophobicContact CG-CD1 3.83Å; E791-Y811 HydrophobicContact CG-CE1 3.72Å; E791-Y811 WeakPolarHBondContact OE1-CE1 3.33Å
812I94.1Very high90.9Very high2 Ų258.3 Ų58.31%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-103.6119.3-179.1-56.3165.4000108.4L730 V732 V741 F768 H789 Y790 L792L730-I812 HydrophobicContact CB-CG1 4.39Å; L730-I812 WeakPolarHBondContact O-CA 3.43Å; V732-I812 HydrophobicContact CB-CG2 4.46Å; V732-I812 HydrophobicContact CG1-CG2 3.75Å; V741-I812 HydrophobicContact CG1-CD1 3.87Å; V741-I812 HydrophobicContact CG1-CG1 3.96Å; V741-I812 HydrophobicContact CG1-CG2 3.98Å; F768-I812 HydrophobicContact CD1-CD1 4.33Å; F768-I812 HydrophobicContact CE1-CD1 3.8Å; F768-I812 HydrophobicContact CE2-CD1 4.38Å; F768-I812 HydrophobicContact CZ-CD1 3.84Å; H789-I812 CarbonylContact C-O 3.54Å; H789-I812 VanDerWaalsContact CA-O 3.26Å; H789-I812 WeakPolarHBondContact CA-O 2.94Å; Y790-I812 PolarHBondContact N-O 2.97Å; Y790-I812 PolarHBondContact O-N 2.83Å; L792-I812 HydrophobicContact CB-CD1 3.69Å; L792-I812 HydrophobicContact CD2-CD1 3.69Å; L792-I812 HydrophobicContact CG-CD1 4.32Å
813K93.5Very high91.2Very high134 Ų13455.5 Ų55.558%0.58329%0.287SS*.EExtended strand (participates in β ladder)trans-94.7127.8171.4-174.3175.8-178.4-1770110.1L730 S731 V732L730-K813 PolarHBondContact O-N 2.75Å; S731-K813 CarbonylContact C-O 3.5Å; S731-K813 WeakPolarHBondContact CA-O 3.3Å; V732-K813 PolarHBondContact N-O 2.98Å
814V92.3Very high91.4Very high4 Ų453 Ų532%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-82.7129.3173.1-171.70000108.9V732 E734 L782 R784 D788 Y790V732-V814 CarbonylContact O-C 3.57Å; V732-V814 WeakPolarHBondContact O-CA 3.09Å; E734-V814 HydrophobicContact CB-CG1 3.67Å; L782-V814 HydrophobicContact CD1-CG2 4.16Å; R784-V814 HydrophobicContact CB-CB 4.26Å; R784-V814 HydrophobicContact CB-CG1 3.73Å; R784-V814 HydrophobicContact CG-CB 4.07Å; R784-V814 HydrophobicContact CG-CG1 4.03Å; D788-V814 PolarHBondContact O-N 2.97Å; Y790-V814 HydrophobicContact CD2-CG2 3.97Å; Y790-V814 HydrophobicContact CE2-CG2 3.68Å
815L89.7Confident91.3Very high70 Ų7052.4 Ų52.437%0.36628%0.278SS..EExtended strand (participates in β ladder)trans-92.8135.4178.3-57.4177.1000109.5V732 V733 E734V732-L815 PolarHBondContact O-N 2.87Å; V733-L815 HydrophobicContact CG2-CD1 4.46Å; E734-L815 PolarHBondContact N-O 3.2Å
816D87Confident91.2Very high54 Ų5450.7 Ų50.729%0.28927%0.272SS..PPolyproline II helixtrans-65.9131.5-177.8-170.776.2000111.6E734 R784 L853E734-D816 WeakPolarHBondContact OE1-CA 3.42Å; R784-D816 IonicContact CZ-OD1 3.87Å; R784-D816 IonicContact NE-OD1 3.16Å; R784-D816 PolarHBondContact NE-OD1 2.56Å; R784-D816 IonicContact NH2-OD1 3.03Å; R784-D816 PolarHBondContact NH2-OD1 2.86Å; D816-L853 HydrophobicContact CB-CB 4.25Å; D816-L853 HydrophobicContact CB-CD1 4.19Å; D816-L853 PolarHBondContact OD1-N 2.63Å; D816-L853 VanDerWaalsContact OD1-N 3.15Å; D816-L853 WeakPolarHBondContact OD2-CB 3.29Å; D816-L853 PolarHBondContact OD2-N 3.07Å; D816-L853 VanDerWaalsContact OD2-N 3.14Å
817I87.3Confident90.9Very high58 Ų5853.6 Ų53.630%0.29729%0.293SS..  trans-110.9139.5160.7-66.1179.4000106.9V733 E734 E735 D819V733-I817 HydrophobicContact CG1-CD1 3.48Å; V733-I817 VanDerWaalsContact CG1-CD1 3.48Å; V733-I817 HydrophobicContact CG1-CG1 3.47Å; V733-I817 VanDerWaalsContact CG1-CG1 3.47Å; E734-I817 HydrophobicContact CG-CB 3.84Å; E734-I817 HydrophobicContact CG-CD1 4.11Å; E734-I817 HydrophobicContact CG-CG1 3.9Å; E734-I817 WeakPolarHBondContact O-CD1 3.13Å; E734-I817 PolarHBondContact OE1-N 3.47Å; E735-I817 HydrophobicContact CB-CD1 4.3Å; I817-D819 VanDerWaalsContact C-N 3.27Å; I817-D819 HydrophobicContact CG2-CB 4.17Å; I817-D819 PolarHBondContact O-N 3.29Å
818D84.7Confident90.8Very high38 Ų3853.3 Ų53.320%0.20329%0.291CS..  trans-7182.9169.7165.167.2000109.5D852 G908 T909 M910D818-D852 WeakPolarHBondContact CA-OD2 3.42Å; D818-G908 WeakPolarHBondContact OD1-CA 3.38Å; D818-G908 VanDerWaalsContact OD2-CA 3.26Å; D818-G908 WeakPolarHBondContact OD2-CA 3.35Å; D818-T909 WeakPolarHBondContact OD2-CA 3.47Å; D818-T909 PolarHBondContact OD2-N 2.87Å; D818-T909 PolarHBondContact OD2-OG1 2.67Å; D818-M910 VanDerWaalsContact O-CG 3.31Å; D818-M910 WeakPolarHBondContact O-CG 3.46Å; D818-M910 PolarHBondContact OD2-N 2.98Å
819D87.2Confident90.8Very high39 Ų3953.8 Ų53.821%0.20929%0.292CS..  trans-118.40.8-176.484.3-28.3000113.7E735 I817 D852 M910E735-D819 WeakPolarHBondContact CG-OD2 3.49Å; I817-D819 VanDerWaalsContact C-N 3.27Å; I817-D819 HydrophobicContact CG2-CB 4.17Å; I817-D819 PolarHBondContact O-N 3.29Å; D819-D852 PolarHBondContact N-OD2 2.73Å; D819-D852 VanDerWaalsContact N-OD2 3.17Å; D819-M910 VanDerWaalsContact O-CE 3.25Å; D819-M910 WeakPolarHBondContact O-CE 3.44Å
820N85.8Confident90.7Very high46 Ų4656 Ų5625%0.24631%0.306CS..  trans-111139.5175.5-65.1-81.3000111.6V851 D852N820-V851 HydrophobicContact CB-CG2 3.52Å; N820-V851 WeakPolarHBondContact ND2-CG2 3.38Å; N820-D852 WeakPolarHBondContact CB-OD1 3.1Å; N820-D852 PolarHBondContact N-OD2 2.93Å; N820-D852 PolarHBondContact ND2-OD1 2.99Å
821S90Very high90.6Very high36 Ų3657.2 Ų57.225%0.25231%0.313SS..  trans-88.3146170.9-73.40000110.3V823 P911S821-V823 VanDerWaalsContact O-CG2 3.32Å; S821-V823 WeakPolarHBondContact O-CG2 3.38Å; S821-V823 PolarHBondContact O-N 2.84Å; S821-P911 VanDerWaalsContact CB-O 3.24Å; S821-P911 WeakPolarHBondContact CB-O 3.4Å; S821-P911 PolarHBondContact OG-O 2.66Å
822P92.7Very high90.4Very high1 Ų156.1 Ų56.11%0.00632%0.318CS..  trans-56.5124.1172.8-24.331.2000112A848 D850 V857 A903 D905 G913P822-A848 HydrophobicContact CB-CB 4.43Å; P822-D850 HydrophobicContact CB-CB 4.32Å; P822-D850 WeakPolarHBondContact CD-OD2 3.5Å; P822-D850 HydrophobicContact CG-CB 4.18Å; P822-D850 WeakPolarHBondContact CG-OD2 3.32Å; P822-V857 HydrophobicContact CB-CG1 4.23Å; P822-V857 HydrophobicContact CB-CG2 4.16Å; P822-V857 HydrophobicContact CG-CG2 4.36Å; P822-A903 HydrophobicContact CB-CB 4.07Å; P822-D905 HydrophobicContact CG-CB 4.42Å; P822-G913 VanDerWaalsContact O-CA 3.22Å; P822-G913 WeakPolarHBondContact O-CA 3.14Å
823V90.9Very high90.2Very high104 Ų10456.2 Ų56.263%0.6332%0.319SS*.EExtended strand (participates in β ladder)trans-106.1124.6-177.6-175.40000110.5S821 A848 K849S821-V823 VanDerWaalsContact O-CG2 3.32Å; S821-V823 WeakPolarHBondContact O-CG2 3.38Å; S821-V823 PolarHBondContact O-N 2.84Å; V823-A848 CarbonylContact O-C 3.52Å; V823-A848 WeakPolarHBondContact O-CA 3.31Å; V823-A848 WeakPolarHBondContact O-CB 3.45Å; V823-K849 PolarHBondContact N-O 2.88Å; V823-K849 PolarHBondContact O-N 3.48Å
824F93.7Very high89.9Confident15 Ų1553.8 Ų53.87%0.06631%0.31CS..EExtended strand (participates in β ladder)trans-66.2144172.7-75.3-78.3000111.9N826 Y829 I846 E847 A848 Y859 V901 A903 G913 A915F824-N826 VanDerWaalsContact CB-O 3.3Å; F824-N826 WeakPolarHBondContact CB-O 3.29Å; F824-N826 PolarHBondContact O-N 3.17Å; F824-Y829 HydrophobicContact CB-CE2 4.42Å; F824-Y829 HydrophobicContact CD1-CE2 4.33Å; F824-I846 HydrophobicContact CD1-CB 4.45Å; F824-I846 HydrophobicContact CE1-CB 4.25Å; F824-I846 HydrophobicContact CE1-CD1 3.73Å; F824-I846 HydrophobicContact CE1-CG1 4.14Å; F824-I846 HydrophobicContact CZ-CD1 4.29Å; F824-E847 WeakPolarHBondContact CA-O 2.74Å; F824-A848 HydrophobicContact CB-CB 4.5Å; F824-A848 HydrophobicContact CD1-CB 3.73Å; F824-A848 HydrophobicContact CE1-CB 4.01Å; F824-A848 HydrophobicContact CG-CB 4Å; F824-Y859 AromaticContact CE1-CD1 3.86Å; F824-Y859 HydrophobicContact CE1-CD1 3.86Å; F824-Y859 AromaticContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CZ-CD1 4.23Å; F824-Y859 HydrophobicContact CZ-CE1 4.5Å; F824-V901 HydrophobicContact CE1-CG2 4.31Å; F824-V901 HydrophobicContact CE2-CG2 4.46Å; F824-V901 HydrophobicContact CZ-CG2 3.93Å; F824-A903 HydrophobicContact CD2-CB 4.47Å; F824-A903 HydrophobicContact CE1-CB 3.98Å; F824-A903 HydrophobicContact CE2-CB 3.74Å; F824-A903 HydrophobicContact CZ-CB 3.45Å; F824-A903 VanDerWaalsContact CZ-CB 3.45Å; F824-G913 WeakPolarHBondContact CE2-O 3.46Å; F824-A915 HydrophobicContact CB-CB 4.06Å; F824-A915 HydrophobicContact CD1-CB 4.2Å; F824-A915 HydrophobicContact CD2-CB 3.44Å; F824-A915 VanDerWaalsContact CD2-CB 3.44Å; F824-A915 HydrophobicContact CE2-CB 3.82Å; F824-A915 HydrophobicContact CG-CB 3.64Å; F824-A915 HydrophobicContact CZ-CB 4.36Å
825T90.8Very high89.7Confident94 Ų9454 Ų5458%0.57731%0.311SS*.SBendtrans-55-41.1176.5-540000111.8E847T825-E847 PolarHBondContact N-O 2.94Å; T825-E847 PolarHBondContact OG1-O 3.34Å
826N90.9Very high89.4Confident83 Ų8355.3 Ų55.344%0.44432%0.318SS..  trans-123.5142.4170.5-60.9-16.8000110.3F824 T828 Y829F824-N826 VanDerWaalsContact CB-O 3.3Å; F824-N826 WeakPolarHBondContact CB-O 3.29Å; F824-N826 PolarHBondContact O-N 3.17Å; N826-T828 VanDerWaalsContact C-N 3.29Å; N826-T828 WeakPolarHBondContact CB-O 3.26Å; N826-Y829 HydrophobicContact CB-CD1 4.31Å; N826-Y829 HydrophobicContact CB-CE1 3.9Å; N826-Y829 HydrophobicContact CB-CE2 4.12Å; N826-Y829 PolarHBondContact N-OH 2.88Å; N826-Y829 WeakPolarHBondContact O-CE2 3.47Å
827S88.6Confident89.4Confident89 Ų8955 Ų5562%0.62232%0.316SS*.SBendtrans-72.2-25.1173.455.10000113.2A915 T916S827-A915 WeakPolarHBondContact O-CA 3.45Å; S827-T916 PolarHBondContact O-N 2.79Å; S827-T916 PolarHBondContact O-OG1 3.36Å
828T92.2Very high89.4Confident81 Ų8156.2 Ų56.250%0.49733%0.327SS..EExtended strand (participates in β ladder)trans-134.5132.1-179.253.30000108.9N826 T916N826-T828 VanDerWaalsContact C-N 3.29Å; N826-T828 WeakPolarHBondContact CB-O 3.26Å; T828-T916 CarbonylContact C-O 3.55Å; T828-T916 WeakPolarHBondContact CA-O 3.49Å; T828-T916 WeakPolarHBondContact CA-OG1 3.32Å; T828-T916 WeakPolarHBondContact CG2-OG1 3.44Å
829Y93.5Very high89.4Confident21 Ų2157.3 Ų57.38%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-118.1119.2172.5-64.5-92.2000108.7F824 N826 L844 I846 E847 A915 T916 V917 T918F824-Y829 HydrophobicContact CB-CE2 4.42Å; F824-Y829 HydrophobicContact CD1-CE2 4.33Å; N826-Y829 HydrophobicContact CB-CD1 4.31Å; N826-Y829 HydrophobicContact CB-CE1 3.9Å; N826-Y829 HydrophobicContact CB-CE2 4.12Å; N826-Y829 PolarHBondContact N-OH 2.88Å; N826-Y829 WeakPolarHBondContact O-CE2 3.47Å; Y829-L844 HydrophobicContact CD1-CD1 4.22Å; Y829-L844 HydrophobicContact CG-CD2 4.37Å; Y829-I846 HydrophobicContact CD1-CG2 4.31Å; Y829-I846 HydrophobicContact CD2-CG2 4.01Å; Y829-I846 HydrophobicContact CE1-CG2 4.28Å; Y829-I846 HydrophobicContact CE2-CB 4.33Å; Y829-I846 HydrophobicContact CE2-CG2 3.97Å; Y829-I846 HydrophobicContact CG-CG2 4.18Å; Y829-E847 PolarHBondContact OH-O 2.88Å; Y829-A915 HydrophobicContact CD2-CB 4.21Å; Y829-A915 HydrophobicContact CE2-CB 3.99Å; Y829-T916 PolarHBondContact N-O 2.94Å; Y829-V917 CarbonylContact O-C 3.58Å; Y829-V917 WeakPolarHBondContact O-CA 3.3Å; Y829-T918 PolarHBondContact O-N 3.41Å
830T92Very high89.5Confident95 Ų9558.3 Ų58.358%0.58336%0.361SS*.EExtended strand (participates in β ladder)trans-111.8125.4174.5-50.10000109T918 I920T830-T918 WeakPolarHBondContact CA-O 3.47Å; T830-I920 HydrophobicContact CG2-CD1 3.66Å; T830-I920 HydrophobicContact CG2-CG1 4.19Å
831V92.2Very high89.7Confident25 Ų2558.1 Ų58.115%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-133.1139.8179.9640000109.9V833 F843 L844 T918 V919 I920V831-V833 HydrophobicContact CG1-CG2 4.36Å; V831-V833 HydrophobicContact CG2-CG2 4.36Å; V831-F843 HydrophobicContact CG1-CD2 3.74Å; V831-F843 HydrophobicContact CG1-CE2 3.76Å; V831-F843 HydrophobicContact CG2-CD2 4.23Å; V831-L844 HydrophobicContact CG1-CD2 4.47Å; V831-T918 PolarHBondContact N-O 2.79Å; V831-V919 HydrophobicContact CG1-CG2 4.04Å; V831-I920 PolarHBondContact O-N 3.32Å
832V89.8Confident89.8Confident90 Ų9060 Ų6055%0.54538%0.375SS..EExtended strand (participates in β ladder)trans-98.4124.7175.3-177.40000108.1I920 K922V832-I920 CarbonylContact C-O 3.21Å; V832-I920 WeakPolarHBondContact CA-O 3.43Å; V832-I920 HydrophobicContact CG2-CB 4.36Å; V832-K922 HydrophobicContact CG1-CB 3.79Å; V832-K922 HydrophobicContact CG1-CD 4.3Å
833V90.2Very high89.7Confident4 Ų461.7 Ų61.72%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-122.4125.4-178.9174.10000108.5V831 L837 F843 L881 L885 V919 I920 V921 K922V831-V833 HydrophobicContact CG1-CG2 4.36Å; V831-V833 HydrophobicContact CG2-CG2 4.36Å; V833-L837 HydrophobicContact CG1-CB 4.08Å; V833-L837 HydrophobicContact CG1-CD2 3.7Å; V833-F843 HydrophobicContact CG2-CB 4.11Å; V833-F843 HydrophobicContact CG2-CD2 3.69Å; V833-F843 HydrophobicContact CG2-CE2 4.25Å; V833-F843 HydrophobicContact CG2-CG 3.94Å; V833-L881 HydrophobicContact CG1-CD1 4.2Å; V833-L885 HydrophobicContact CG1-CD1 4.21Å; V833-V919 HydrophobicContact CB-CG1 3.98Å; V833-V919 HydrophobicContact CG2-CG1 3.76Å; V833-I920 PolarHBondContact N-O 3.15Å; V833-V921 CarbonylContact O-C 3.53Å; V833-V921 WeakPolarHBondContact O-CA 3.39Å; V833-K922 PolarHBondContact O-N 3.48Å
834E87.4Confident89.9Confident83 Ų8358.2 Ų58.239%0.38836%0.36SS..EExtended strand (participates in β ladder)trans-69.9137.1172.9-61-176.5158.700109.2N836 L837 K922 M924E834-N836 WeakPolarHBondContact CB-OD1 3.2Å; E834-N836 PolarHBondContact O-N 2.85Å; E834-L837 WeakPolarHBondContact O-CB 3.29Å; E834-L837 PolarHBondContact O-N 3.08Å; E834-K922 HydrophobicContact CG-CB 4.49Å; E834-K922 HydrophobicContact CG-CD 4.15Å; E834-K922 IonicContact OE1-NZ 2.98Å; E834-K922 PolarHBondContact OE1-NZ 2.77Å; E834-M924 HydrophobicContact CB-CG 4.12Å; E834-M924 HydrophobicContact CB-SD 4.24Å; E834-M924 HydrophobicContact CG-SD 4.16Å
835E86.4Confident89.8Confident9 Ų963.5 Ų63.54%0.04239%0.385CS..THydrogen-bonded Turntrans-63.4-29.1-174.872.3-174.8114.300113.7L837 L885 Y887 V921 K922 D923 M924E835-L837 PolarHBondContact O-N 3.23Å; E835-L885 VanDerWaalsContact O-O 3.06Å; E835-Y887 WeakPolarHBondContact OE1-CB 3.22Å; E835-Y887 VanDerWaalsContact OE2-CB 3.31Å; E835-Y887 WeakPolarHBondContact OE2-CB 3.31Å; E835-Y887 PolarHBondContact OE2-N 2.87Å; E835-V921 HydrophobicContact CB-CG1 3.79Å; E835-K922 PolarHBondContact N-O 2.87Å; E835-D923 WeakPolarHBondContact OE1-CA 3.42Å; E835-M924 HydrophobicContact CG-CB 3.94Å; E835-M924 HydrophobicContact CG-CG 4.13Å; E835-M924 PolarHBondContact OE1-N 3.44Å
836N83.8Confident90Very high97 Ų9759.1 Ų59.152%0.51936%0.358SS..THydrogen-bonded Turntrans-76.74.6176.868.5-1.1000113.6E834 P838E834-N836 WeakPolarHBondContact CB-OD1 3.2Å; E834-N836 PolarHBondContact O-N 2.85Å; N836-P838 WeakPolarHBondContact O-CD 3.43Å
837L87.7Confident90.1Very high47 Ų4761.1 Ų61.125%0.24636%0.364CS..PPolyproline II helixtrans-63.2122.2178.1-169.369.1000110V833 E834 E835 T841 F843 L881V833-L837 HydrophobicContact CG1-CB 4.08Å; V833-L837 HydrophobicContact CG1-CD2 3.7Å; E834-L837 WeakPolarHBondContact O-CB 3.29Å; E834-L837 PolarHBondContact O-N 3.08Å; E835-L837 PolarHBondContact O-N 3.23Å; L837-T841 HydrophobicContact CD1-CG2 4.36Å; L837-T841 VanDerWaalsContact CD2-OG1 3.32Å; L837-T841 WeakPolarHBondContact CD2-OG1 3.5Å; L837-T841 HydrophobicContact CG-CG2 4.45Å; L837-T841 VanDerWaalsContact CG-OG1 3.25Å; L837-T841 WeakPolarHBondContact CG-OG1 3.37Å; L837-F843 HydrophobicContact CD2-CB 4.19Å; L837-L881 HydrophobicContact CB-CD1 3.87Å; L837-L881 HydrophobicContact CD2-CD1 3.66Å; L837-L881 HydrophobicContact CG-CD1 3.9Å
838P86.4Confident90.3Very high83 Ų8357.2 Ų57.254%0.53934%0.338SS..PPolyproline II helixtrans-61.7143-174.4-24.733.6000113.7N836 G840 T841N836-P838 WeakPolarHBondContact O-CD 3.43Å; P838-G840 PolarHBondContact O-N 2.82Å; P838-T841 HydrophobicContact CB-CG2 4.29Å; P838-T841 WeakPolarHBondContact O-CG2 3.19Å; P838-T841 PolarHBondContact O-N 2.89Å; P838-T841 PolarHBondContact O-OG1 2.62Å
839A86.2Confident90.2Very high62 Ų6260.5 Ų60.551%0.51235%0.345SS..THydrogen-bonded Turntrans-57.9133.9171.400000111.2
840G87.8Confident90Very high59 Ų5960.2 Ų60.261%0.60835%0.345SS*.THydrogen-bonded Turntrans102-8.6-177.800000114.8P838 L881P838-G840 PolarHBondContact O-N 2.82Å; G840-L881 WeakPolarHBondContact CA-O 3.4Å; G840-L881 PolarHBondContact N-O 3.5Å
841T90.6Very high89.9Confident43 Ų4359.2 Ų59.226%0.26434%0.339SS..  trans-77.6134.1177.8560000111.8L837 P838 S880 L881L837-T841 HydrophobicContact CD1-CG2 4.36Å; L837-T841 VanDerWaalsContact CD2-OG1 3.32Å; L837-T841 WeakPolarHBondContact CD2-OG1 3.5Å; L837-T841 HydrophobicContact CG-CG2 4.45Å; L837-T841 VanDerWaalsContact CG-OG1 3.25Å; L837-T841 WeakPolarHBondContact CG-OG1 3.37Å; P838-T841 HydrophobicContact CB-CG2 4.29Å; P838-T841 WeakPolarHBondContact O-CG2 3.19Å; P838-T841 PolarHBondContact O-N 2.89Å; P838-T841 PolarHBondContact O-OG1 2.62Å; T841-S880 VanDerWaalsContact O-CA 3.25Å; T841-S880 WeakPolarHBondContact O-CA 3.15Å; T841-S880 WeakPolarHBondContact O-CB 3.33Å; T841-L881 PolarHBondContact O-N 3.06Å
842S91.7Very high89.8Confident76 Ų7658.6 Ų58.653%0.53133%0.334SS..EExtended strand (participates in β ladder)trans-76.1130.3167550000110.5L879S842-L879 CarbonylContact C-O 3.56Å; S842-L879 VanDerWaalsContact CA-O 3.3Å; S842-L879 WeakPolarHBondContact CA-O 3.37Å
843F91.6Very high89.5Confident35 Ų3560 Ų6015%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-123.5-15.6-176.363.6-93000114.1V831 V833 L837 F870 L879 L881 V919V831-F843 HydrophobicContact CG1-CD2 3.74Å; V831-F843 HydrophobicContact CG1-CE2 3.76Å; V831-F843 HydrophobicContact CG2-CD2 4.23Å; V833-F843 HydrophobicContact CG2-CB 4.11Å; V833-F843 HydrophobicContact CG2-CD2 3.69Å; V833-F843 HydrophobicContact CG2-CE2 4.25Å; V833-F843 HydrophobicContact CG2-CG 3.94Å; L837-F843 HydrophobicContact CD2-CB 4.19Å; F843-F870 AromaticContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CE1 4.15Å; F843-F870 AromaticContact CZ-CD1 3.66Å; F843-F870 HydrophobicContact CZ-CD1 3.66Å; F843-F870 AromaticContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CG 4.48Å; F843-L879 HydrophobicContact CE1-CD2 4.2Å; F843-L879 HydrophobicContact CE1-CG 4.16Å; F843-L879 HydrophobicContact CE2-CD2 3.51Å; F843-L879 HydrophobicContact CE2-CG 4.28Å; F843-L879 HydrophobicContact CZ-CB 4.44Å; F843-L879 HydrophobicContact CZ-CD2 3.3Å; F843-L879 HydrophobicContact CZ-CG 3.74Å; F843-L879 PolarHBondContact N-O 3.41Å; F843-L881 HydrophobicContact CD1-CD2 4.27Å; F843-L881 HydrophobicContact CD1-CG 3.91Å; F843-L881 HydrophobicContact CE1-CD2 3.87Å; F843-L881 HydrophobicContact CE1-CG 3.95Å; F843-V919 HydrophobicContact CE2-CG2 3.81Å; F843-V919 HydrophobicContact CZ-CG2 4.12Å
844L93.6Very high89.1Confident31 Ų3163 Ų6316%0.16237%0.371CS..EExtended strand (participates in β ladder)trans-145.2145.9178177.966.8000109.6Y829 V831 I846 L879 V917Y829-L844 HydrophobicContact CD1-CD1 4.22Å; Y829-L844 HydrophobicContact CG-CD2 4.37Å; V831-L844 HydrophobicContact CG1-CD2 4.47Å; L844-I846 HydrophobicContact CD2-CG2 3.97Å; L844-I846 HydrophobicContact CG-CG2 4.15Å; L844-L879 HydrophobicContact CB-CB 4.17Å; L844-L879 HydrophobicContact CB-CD2 4.33Å; L844-L879 HydrophobicContact CD2-CD2 4.15Å; L844-L879 WeakPolarHBondContact O-CB 3.4Å; L844-L879 PolarHBondContact O-N 3.12Å; L844-V917 HydrophobicContact CD2-CG1 3.7Å; L844-V917 HydrophobicContact CD2-CG2 4.33Å
845Q93.2Very high89Confident126 Ų12660.6 Ų60.659%0.58937%0.365SS*.EExtended strand (participates in β ladder)trans-121.6123.4170-172.9174.8700108.5T876 G877 E878Q845-T876 PolarHBondContact NE2-O 2.96Å; Q845-G877 WeakPolarHBondContact CA-O 3.3Å; Q845-E878 HydrophobicContact CG-CG 4.35Å
846I93.9Very high89.1Confident2 Ų263.5 Ų63.51%0.0138%0.381CS..  trans-104.3147.1175.865.4178.8000109.8F824 Y829 L844 Y859 L872 G877 V901F824-I846 HydrophobicContact CD1-CB 4.45Å; F824-I846 HydrophobicContact CE1-CB 4.25Å; F824-I846 HydrophobicContact CE1-CD1 3.73Å; F824-I846 HydrophobicContact CE1-CG1 4.14Å; F824-I846 HydrophobicContact CZ-CD1 4.29Å; Y829-I846 HydrophobicContact CD1-CG2 4.31Å; Y829-I846 HydrophobicContact CD2-CG2 4.01Å; Y829-I846 HydrophobicContact CE1-CG2 4.28Å; Y829-I846 HydrophobicContact CE2-CB 4.33Å; Y829-I846 HydrophobicContact CE2-CG2 3.97Å; Y829-I846 HydrophobicContact CG-CG2 4.18Å; L844-I846 HydrophobicContact CD2-CG2 3.97Å; L844-I846 HydrophobicContact CG-CG2 4.15Å; I846-Y859 HydrophobicContact CD1-CD1 4.1Å; I846-Y859 HydrophobicContact CG1-CD1 4.18Å; I846-Y859 HydrophobicContact CG1-CE1 4.46Å; I846-L872 HydrophobicContact CD1-CD1 3.8Å; I846-L872 HydrophobicContact CD1-CD2 3.83Å; I846-L872 HydrophobicContact CD1-CG 4.47Å; I846-L872 HydrophobicContact CG1-CD1 4.08Å; I846-G877 WeakPolarHBondContact CG1-O 3.15Å; I846-G877 PolarHBondContact N-O 2.97Å; I846-G877 WeakPolarHBondContact O-CA 3.44Å; I846-V901 HydrophobicContact CD1-CB 3.95Å; I846-V901 HydrophobicContact CD1-CG1 4.26Å; I846-V901 HydrophobicContact CD1-CG2 3.68Å
847E93.2Very high89.4Confident125 Ų12560 Ų6058%0.58436%0.363SS*.  trans-138.8130.8179.7-175.2175.6-171.300109.2F824 T825 Y829F824-E847 WeakPolarHBondContact CA-O 2.74Å; T825-E847 PolarHBondContact N-O 2.94Å; T825-E847 PolarHBondContact OG1-O 3.34Å; Y829-E847 PolarHBondContact OH-O 2.88Å
848A92.7Very high89.7Confident8 Ų858.3 Ų58.37%0.06636%0.355CS..EExtended strand (participates in β ladder)trans-124.2146.9170.300000110.1P822 V823 F824 V857 Y859 A903P822-A848 HydrophobicContact CB-CB 4.43Å; V823-A848 CarbonylContact O-C 3.52Å; V823-A848 WeakPolarHBondContact O-CA 3.31Å; V823-A848 WeakPolarHBondContact O-CB 3.45Å; F824-A848 HydrophobicContact CB-CB 4.5Å; F824-A848 HydrophobicContact CD1-CB 3.73Å; F824-A848 HydrophobicContact CE1-CB 4.01Å; F824-A848 HydrophobicContact CG-CB 4Å; A848-V857 HydrophobicContact CB-CG1 4.17Å; A848-Y859 HydrophobicContact CB-CE1 3.84Å; A848-Y859 PolarHBondContact N-OH 3.49Å; A848-Y859 PolarHBondContact O-OH 2.99Å; A848-A903 HydrophobicContact CB-CB 3.5Å; A848-A903 VanDerWaalsContact CB-CB 3.5Å
849K89.7Confident90.1Very high150 Ų15055.3 Ų55.365%0.65233%0.333SS*.EExtended strand (participates in β ladder)trans-125.1132.8180-172.9179.3177.9-170.20109.5V823V823-K849 PolarHBondContact N-O 2.88Å; V823-K849 PolarHBondContact O-N 3.48Å
850D90.2Very high90.5Very high15 Ų1558.2 Ų58.28%0.0833%0.331CS..  trans-104.6138.9168.1-162.8-34.7000108P822 D852 A855 V857P822-D850 HydrophobicContact CB-CB 4.32Å; P822-D850 WeakPolarHBondContact CD-OD2 3.5Å; P822-D850 HydrophobicContact CG-CB 4.18Å; P822-D850 WeakPolarHBondContact CG-OD2 3.32Å; D850-D852 PolarHBondContact OD1-N 2.87Å; D850-D852 VanDerWaalsContact OD1-N 3.08Å; D850-A855 HydrophobicContact CB-CB 3.48Å; D850-A855 VanDerWaalsContact CB-CB 3.48Å; D850-V857 HydrophobicContact CB-CG2 3.97Å
851V88.7Confident90.9Very high74 Ų7455.9 Ų55.945%0.44830%0.304SS..  trans-92.3-11.4-175-68.20000112.6R784 E785 N820R784-V851 PolarHBondContact NH2-O 2.92Å; E785-V851 HydrophobicContact CG-CB 4.05Å; E785-V851 HydrophobicContact CG-CG2 3.74Å; N820-V851 HydrophobicContact CB-CG2 3.52Å; N820-V851 WeakPolarHBondContact ND2-CG2 3.38Å
852D90.3Very high91Very high11 Ų1160 Ų606%0.05932%0.315CS..SBendtrans-71.8155.4-178.5-63.2-15.7000112.3D818 D819 N820 D850 G854D818-D852 WeakPolarHBondContact CA-OD2 3.42Å; D819-D852 PolarHBondContact N-OD2 2.73Å; D819-D852 VanDerWaalsContact N-OD2 3.17Å; N820-D852 WeakPolarHBondContact CB-OD1 3.1Å; N820-D852 PolarHBondContact N-OD2 2.93Å; N820-D852 PolarHBondContact ND2-OD1 2.99Å; D850-D852 PolarHBondContact OD1-N 2.87Å; D850-D852 VanDerWaalsContact OD1-N 3.08Å; D852-G854 PolarHBondContact O-N 3.4Å
853L84.3Confident91.1Very high119 Ų11957 Ų5762%0.62329%0.294SS*.THydrogen-bonded Turntrans-74.9116.1-174.9-81.2172000111.8D816D816-L853 HydrophobicContact CB-CB 4.25Å; D816-L853 HydrophobicContact CB-CD1 4.19Å; D816-L853 PolarHBondContact OD1-N 2.63Å; D816-L853 VanDerWaalsContact OD1-N 3.15Å; D816-L853 WeakPolarHBondContact OD2-CB 3.29Å; D816-L853 PolarHBondContact OD2-N 3.07Å; D816-L853 VanDerWaalsContact OD2-N 3.14Å
854G82.5Confident90.9Very high69 Ų6959.7 Ų59.771%0.71132%0.315SS*.THydrogen-bonded Turntrans87.710.4175.300000113.9D852D852-G854 PolarHBondContact O-N 3.4Å
855A84.1Confident90.6Very high32 Ų3263.4 Ų63.426%0.26433%0.332SS..  trans-56.3136.2173.400000111.9D850D850-A855 HydrophobicContact CB-CB 3.48Å; D850-A855 VanDerWaalsContact CB-CB 3.48Å
856N89.1Confident90.5Very high70 Ų7057.8 Ų57.837%0.37431%0.306SS..  trans-129.289.9-178.3-169.54.9000109.8D905 I906 Y907N856-D905 WeakPolarHBondContact CA-OD1 3.44Å; N856-D905 PolarHBondContact N-OD1 3.12Å; N856-I906 HydrophobicContact CB-CD1 4.37Å; N856-I906 WeakPolarHBondContact O-CD1 3.29Å; N856-I906 WeakPolarHBondContact O-CG1 3.18Å; N856-I906 PolarHBondContact O-N 2.83Å; N856-Y907 HydrophobicContact CB-CD2 4.45Å; N856-Y907 HydrophobicContact CB-CE2 4.46Å
857V90.9Very high90.3Very high23 Ų2363 Ų6314%0.13933%0.328CS..EExtended strand (participates in β ladder)trans-71.1130.4-172-176.70000111.7P822 A848 D850 Y859 A903P822-V857 HydrophobicContact CB-CG1 4.23Å; P822-V857 HydrophobicContact CB-CG2 4.16Å; P822-V857 HydrophobicContact CG-CG2 4.36Å; A848-V857 HydrophobicContact CB-CG1 4.17Å; D850-V857 HydrophobicContact CB-CG2 3.97Å; V857-Y859 HydrophobicContact CG1-CE1 4.02Å; V857-Y859 HydrophobicContact CG1-CE2 4.46Å; V857-A903 HydrophobicContact CG1-CB 3.81Å
858S93.5Very high90.1Very high12 Ų1262 Ų628%0.08432%0.323CS..EExtended strand (participates in β ladder)trans-121140.5174.6-173.50000111.2P874 A903 F904S858-P874 CarbonylContact C-O 3.57Å; S858-P874 VanDerWaalsContact CA-O 3.29Å; S858-P874 WeakPolarHBondContact CA-O 2.9Å; S858-A903 WeakPolarHBondContact O-CA 3.42Å; S858-F904 PolarHBondContact N-O 3.38Å; S858-F904 VanDerWaalsContact O-CD1 3.32Å; S858-F904 WeakPolarHBondContact O-CD1 3.37Å; S858-F904 PolarHBondContact O-N 3.22Å
859Y95.1Very high90Very high20 Ų2062.9 Ų62.98%0.07833%0.327CS..EExtended strand (participates in β ladder)trans-108141.8-175.4-55-79.6000112.1F824 I846 A848 V857 P874 E902 A903F824-Y859 AromaticContact CE1-CD1 3.86Å; F824-Y859 HydrophobicContact CE1-CD1 3.86Å; F824-Y859 AromaticContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CE1-CE1 3.82Å; F824-Y859 HydrophobicContact CZ-CD1 4.23Å; F824-Y859 HydrophobicContact CZ-CE1 4.5Å; I846-Y859 HydrophobicContact CD1-CD1 4.1Å; I846-Y859 HydrophobicContact CG1-CD1 4.18Å; I846-Y859 HydrophobicContact CG1-CE1 4.46Å; A848-Y859 HydrophobicContact CB-CE1 3.84Å; A848-Y859 PolarHBondContact N-OH 3.49Å; A848-Y859 PolarHBondContact O-OH 2.99Å; V857-Y859 HydrophobicContact CG1-CE1 4.02Å; V857-Y859 HydrophobicContact CG1-CE2 4.46Å; Y859-P874 WeakPolarHBondContact CD2-O 3.3Å; Y859-P874 PolarHBondContact N-O 3.31Å; Y859-P874 WeakPolarHBondContact O-CA 3.31Å; Y859-E902 WeakPolarHBondContact CA-O 3.19Å; Y859-A903 HydrophobicContact CD1-CB 3.96Å; Y859-A903 HydrophobicContact CE1-CB 3.98Å
860R94Very high90.2Very high122 Ų12255.9 Ų55.946%0.4630%0.296SS..EExtended strand (participates in β ladder)trans-152.5158.716868.2-173.3-171-148-8.8112.9E902 F904R860-E902 HydrophobicContact CG-CG 3.66Å; R860-E902 IonicContact CZ-OE1 3.26Å; R860-E902 PolarHBondContact N-O 3.38Å; R860-E902 IonicContact NE-OE1 3.81Å; R860-E902 PolarHBondContact NE-OE1 3.34Å; R860-E902 IonicContact NH2-OE1 3.86Å; R860-E902 PolarHBondContact NH2-OE1 3.19Å; R860-E902 PolarHBondContact O-N 3.41Å; R860-F904 HydrophobicContact CG-CE1 3.91Å
861I95.1Very high90.3Very high11 Ų1156.6 Ų56.66%0.05630%0.304CS..EExtended strand (participates in β ladder)trans-79.7122.4173.7-59.6174.4000108.3S863 V866 K867 F870 L872 L879 F899 V901I861-S863 VanDerWaalsContact CG2-O 3.3Å; I861-S863 WeakPolarHBondContact CG2-O 3.32Å; I861-V866 HydrophobicContact CG2-CG2 3.67Å; I861-K867 HydrophobicContact CB-CG 4.35Å; I861-K867 HydrophobicContact CG2-CG 4.16Å; I861-K867 WeakPolarHBondContact O-CE 3.34Å; I861-K867 PolarHBondContact O-NZ 2.85Å; I861-F870 HydrophobicContact CD1-CB 3.99Å; I861-F870 WeakPolarHBondContact CD1-O 3.27Å; I861-L872 HydrophobicContact CD1-CB 4.11Å; I861-L872 HydrophobicContact CG1-CB 3.75Å; I861-L872 HydrophobicContact CG1-CD2 4.1Å; I861-L879 HydrophobicContact CD1-CD1 4.32Å; I861-F899 HydrophobicContact CG1-CE2 4.44Å; I861-F899 HydrophobicContact CG2-CD2 4.11Å; I861-F899 HydrophobicContact CG2-CE2 4.38Å; I861-V901 HydrophobicContact CG1-CG1 4.49Å
862R93.4Very high90.6Very high129 Ų12954.1 Ų54.149%0.48729%0.289SS..  trans-77.8-50.5177.9-172.7179.4-179.3-140.12.2110.6P864 L900 E902R862-P864 WeakPolarHBondContact O-CD 3.42Å; R862-L900 HydrophobicContact CB-CB 4.12Å; R862-L900 PolarHBondContact N-O 2.91Å; R862-E902 HydrophobicContact CB-CG 4.42Å
863S93.1Very high90.8Very high14 Ų1457.8 Ų57.810%0.09831%0.305CS..  trans-59.3103.2177.2-82.60000112.9I861 E865 L900I861-S863 VanDerWaalsContact CG2-O 3.3Å; I861-S863 WeakPolarHBondContact CG2-O 3.32Å; S863-E865 VanDerWaalsContact C-N 3.28Å; S863-E865 WeakPolarHBondContact CB-OE1 3.48Å; S863-E865 PolarHBondContact O-N 2.77Å; S863-E865 PolarHBondContact OG-OE1 3.01Å; S863-L900 PolarHBondContact OG-N 3.15Å
864P88.2Confident91.2Very high90 Ų9054.5 Ų54.558%0.58429%0.291SS*.G310 helixtrans-64.7-30-177.826.8-35.5000113.8R862 V866 K867R862-P864 WeakPolarHBondContact O-CD 3.42Å; P864-V866 VanDerWaalsContact C-N 3.26Å; P864-V866 PolarHBondContact O-N 2.97Å; P864-K867 WeakPolarHBondContact O-CB 3.33Å; P864-K867 PolarHBondContact O-N 3.18Å
865E88.6Confident91.6Very high110 Ų11057.2 Ų57.251%0.51428%0.283SS..G310 helixtrans-61.2-29.6-176.160-77175.400113.3S863 H868S863-E865 VanDerWaalsContact C-N 3.28Å; S863-E865 WeakPolarHBondContact CB-OE1 3.48Å; S863-E865 PolarHBondContact O-N 2.77Å; S863-E865 PolarHBondContact OG-OE1 3.01Å; E865-H868 PolarHBondContact O-CE1 2.72Å; E865-H868 PolarHBondContact O-ND1 2.86Å
866V90.8Very high92Very high7 Ų758.4 Ų58.44%0.04229%0.287CS..G310 helixtrans-97.3-3.5-179.2-55.50000114.3I861 P864 H868 L869 F870 I897 F899I861-V866 HydrophobicContact CG2-CG2 3.67Å; P864-V866 VanDerWaalsContact C-N 3.26Å; P864-V866 PolarHBondContact O-N 2.97Å; V866-H868 PolarHBondContact O-N 3.21Å; V866-L869 PolarHBondContact O-N 3.04Å; V866-F870 HydrophobicContact CB-CD2 3.79Å; V866-F870 HydrophobicContact CB-CE2 4.12Å; V866-F870 HydrophobicContact CG1-CE2 4.42Å; V866-F870 HydrophobicContact CG2-CD2 4.06Å; V866-F870 PolarHBondContact O-N 2.97Å; V866-I897 HydrophobicContact CG1-CG2 3.75Å; V866-F899 HydrophobicContact CB-CB 4.46Å; V866-F899 HydrophobicContact CB-CG 4.4Å; V866-F899 HydrophobicContact CG1-CB 3.88Å; V866-F899 HydrophobicContact CG1-CD1 4.24Å; V866-F899 HydrophobicContact CG1-CG 4.2Å; V866-F899 HydrophobicContact CG2-CB 3.78Å; V866-F899 HydrophobicContact CG2-CD1 4.13Å; V866-F899 HydrophobicContact CG2-CD2 3.72Å; V866-F899 HydrophobicContact CG2-CE2 4.28Å; V866-F899 HydrophobicContact CG2-CG 3.62Å
867K89Confident92.1Very high111 Ų11155 Ų5548%0.48327%0.269SS..THydrogen-bonded Turntrans-63.5-16.4-176.3-70.3-175.3178.71800114.3I861 P864 L882I861-K867 HydrophobicContact CB-CG 4.35Å; I861-K867 HydrophobicContact CG2-CG 4.16Å; I861-K867 WeakPolarHBondContact O-CE 3.34Å; I861-K867 PolarHBondContact O-NZ 2.85Å; P864-K867 WeakPolarHBondContact O-CB 3.33Å; P864-K867 PolarHBondContact O-N 3.18Å; K867-L882 WeakPolarHBondContact O-CD1 3.47Å
868H88.5Confident92.3Very high105 Ų10558 Ų5849%0.48628%0.282SS..THydrogen-bonded Turntrans-88.4-10.2174.972.8-83.1000113.1E865 V866E865-H868 PolarHBondContact O-CE1 2.72Å; E865-H868 PolarHBondContact O-ND1 2.86Å; V866-H868 PolarHBondContact O-N 3.21Å
869L90.8Very high92.3Very high27 Ų2757.5 Ų57.514%0.14128%0.278CS..THydrogen-bonded Turntrans-106.5-38.8179.5-61.4176.4000112V866 L882 R883 I897V866-L869 PolarHBondContact O-N 3.04Å; L869-L882 PolarHBondContact O-N 3.41Å; L869-R883 HydrophobicContact CD2-CB 4.34Å; L869-I897 HydrophobicContact CD1-CD1 3.96Å
870F94.3Very high92.3Very high2 Ų258 Ų581%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-122.6144.4-175.9-50.4-60.4000112.1F843 I861 V866 L879 S880 L881 L885 I897 F899 V919F843-F870 AromaticContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CD1 3.8Å; F843-F870 HydrophobicContact CE1-CE1 4.15Å; F843-F870 AromaticContact CZ-CD1 3.66Å; F843-F870 HydrophobicContact CZ-CD1 3.66Å; F843-F870 AromaticContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CE1 3.82Å; F843-F870 HydrophobicContact CZ-CG 4.48Å; I861-F870 HydrophobicContact CD1-CB 3.99Å; I861-F870 WeakPolarHBondContact CD1-O 3.27Å; V866-F870 HydrophobicContact CB-CD2 3.79Å; V866-F870 HydrophobicContact CB-CE2 4.12Å; V866-F870 HydrophobicContact CG1-CE2 4.42Å; V866-F870 HydrophobicContact CG2-CD2 4.06Å; V866-F870 PolarHBondContact O-N 2.97Å; F870-L879 HydrophobicContact CB-CD1 4.33Å; F870-S880 CarbonylContact C-O 3.59Å; F870-S880 WeakPolarHBondContact CA-O 3.43Å; F870-L881 HydrophobicContact CD1-CD2 3.83Å; F870-L881 HydrophobicContact CE1-CD2 3.59Å; F870-L885 HydrophobicContact CE1-CD1 4.39Å; F870-L885 HydrophobicContact CE1-CD2 4.49Å; F870-I897 HydrophobicContact CE2-CB 4.4Å; F870-I897 HydrophobicContact CE2-CD1 4.25Å; F870-I897 HydrophobicContact CE2-CG2 3.95Å; F870-I897 HydrophobicContact CZ-CB 4.45Å; F870-I897 HydrophobicContact CZ-CD1 3.85Å; F870-I897 HydrophobicContact CZ-CG2 4.48Å; F870-F899 HydrophobicContact CD2-CD1 4.06Å; F870-F899 AromaticContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE1 3.42Å; F870-F899 VanDerWaalsContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE2 4.46Å; F870-F899 AromaticContact CD2-CZ 3.66Å; F870-F899 HydrophobicContact CD2-CZ 3.66Å; F870-F899 AromaticContact CE2-CD1 3.89Å; F870-F899 HydrophobicContact CE2-CD1 3.89Å; F870-F899 AromaticContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CZ 4.12Å; F870-F899 HydrophobicContact CG-CE1 4.29Å; F870-F899 HydrophobicContact CG-CZ 4.21Å; F870-F899 HydrophobicContact CZ-CE1 4.24Å; F870-V919 HydrophobicContact CE1-CG2 4.33Å; F870-V919 HydrophobicContact CZ-CB 4.31Å; F870-V919 HydrophobicContact CZ-CG1 4.46Å; F870-V919 HydrophobicContact CZ-CG2 3.99Å
871A93.2Very high92.2Very high30 Ų3052.2 Ų52.225%0.24826%0.262CS..EExtended strand (participates in β ladder)trans-117.8133.9168.400000110L879 S880 L882A871-L879 CarbonylContact O-C 3.54Å; A871-L879 WeakPolarHBondContact O-CA 3.22Å; A871-S880 PolarHBondContact N-O 2.67Å; A871-S880 PolarHBondContact O-N 3.16Å; A871-S880 PolarHBondContact O-OG 3.26Å; A871-L882 HydrophobicContact CB-CD1 4.04Å; A871-L882 HydrophobicContact CB-CD2 3.86Å; A871-L882 HydrophobicContact CB-CG 3.81Å
872L95.1Very high91.9Very high23 Ų2355.8 Ų55.812%0.1228%0.281CS..EExtended strand (participates in β ladder)trans-113.9123.4176.8179.655000109.2I846 I861 E878 L879 V901I846-L872 HydrophobicContact CD1-CD1 3.8Å; I846-L872 HydrophobicContact CD1-CD2 3.83Å; I846-L872 HydrophobicContact CD1-CG 4.47Å; I846-L872 HydrophobicContact CG1-CD1 4.08Å; I861-L872 HydrophobicContact CD1-CB 4.11Å; I861-L872 HydrophobicContact CG1-CB 3.75Å; I861-L872 HydrophobicContact CG1-CD2 4.1Å; L872-E878 WeakPolarHBondContact CA-O 3.12Å; L872-L879 HydrophobicContact CB-CD1 3.82Å; L872-L879 HydrophobicContact CD1-CB 4.39Å; L872-L879 HydrophobicContact CD1-CD1 4.01Å; L872-L879 HydrophobicContact CG-CD1 4.37Å; L872-V901 HydrophobicContact CD2-CB 4.17Å; L872-V901 HydrophobicContact CD2-CG1 3.9Å
873H93.9Very high91.5Very high88 Ų8856.6 Ų56.641%0.40728%0.284SS..  trans-77.3125.3179.9-172-86.1000110.8F875 T876 G877 E878H873-F875 VanDerWaalsContact C-N 3.3Å; H873-F875 PolarHBondContact O-N 2.78Å; H873-F875 VanDerWaalsContact O-N 3.16Å; H873-T876 VanDerWaalsContact CB-OG1 3.27Å; H873-T876 WeakPolarHBondContact CB-OG1 3.43Å; H873-T876 PolarHBondContact ND1-N 2.92Å; H873-T876 PolarHBondContact ND1-OG1 3.45Å; H873-G877 PolarHBondContact O-N 2.87Å; H873-G877 VanDerWaalsContact O-N 3.14Å; H873-E878 HydrophobicContact CB-CB 4.42Å; H873-E878 PolarHBondContact N-O 3.38Å
874P92.5Very high91Very high49 Ų4959.7 Ų59.732%0.31831%0.306SS..THydrogen-bonded Turntrans-66.5-24.1-164.623.2-33.8000114.9S858 Y859S858-P874 CarbonylContact C-O 3.57Å; S858-P874 VanDerWaalsContact CA-O 3.29Å; S858-P874 WeakPolarHBondContact CA-O 2.9Å; Y859-P874 WeakPolarHBondContact CD2-O 3.3Å; Y859-P874 PolarHBondContact N-O 3.31Å; Y859-P874 WeakPolarHBondContact O-CA 3.31Å
875F91.1Very high90.9Very high127 Ų12756 Ų5656%0.55728%0.281SS*.THydrogen-bonded Turntrans-115.1-15.4-176.3-56.4-71.7000114.5H873 I906H873-F875 VanDerWaalsContact C-N 3.3Å; H873-F875 PolarHBondContact O-N 2.78Å; H873-F875 VanDerWaalsContact O-N 3.16Å; F875-I906 HydrophobicContact CE1-CD1 3.9Å
876T91.8Very high90.7Very high56 Ų5654.3 Ų54.334%0.34428%0.276SS..THydrogen-bonded Turntrans-107-15.6-177.860.20000112.5Q845 H873 E878Q845-T876 PolarHBondContact NE2-O 2.96Å; H873-T876 VanDerWaalsContact CB-OG1 3.27Å; H873-T876 WeakPolarHBondContact CB-OG1 3.43Å; H873-T876 PolarHBondContact ND1-N 2.92Å; H873-T876 PolarHBondContact ND1-OG1 3.45Å; T876-E878 PolarHBondContact O-N 3.17Å
877G92.2Very high90.3Very high0 Ų055.6 Ų55.60%028%0.28CS..  trans69.811.7-17700000113.9Q845 I846 H873 L879Q845-G877 WeakPolarHBondContact CA-O 3.3Å; I846-G877 WeakPolarHBondContact CG1-O 3.15Å; I846-G877 PolarHBondContact N-O 2.97Å; I846-G877 WeakPolarHBondContact O-CA 3.44Å; H873-G877 PolarHBondContact O-N 2.87Å; H873-G877 VanDerWaalsContact O-N 3.14Å; G877-L879 PolarHBondContact O-N 3.3Å
878E94.2Very high89.8Confident86 Ų8652.9 Ų52.940%0.40227%0.269SS..EExtended strand (participates in β ladder)trans-75.9125.2177.7-70.5179167.100110.9Q845 L872 H873 T876Q845-E878 HydrophobicContact CG-CG 4.35Å; L872-E878 WeakPolarHBondContact CA-O 3.12Å; H873-E878 HydrophobicContact CB-CB 4.42Å; H873-E878 PolarHBondContact N-O 3.38Å; T876-E878 PolarHBondContact O-N 3.17Å
879L94.3Very high89.3Confident1 Ų151.3 Ų51.31%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-102.4127.8177.1-16578.1000109.3S842 F843 L844 I861 F870 A871 L872 G877 F899 V917S842-L879 CarbonylContact C-O 3.56Å; S842-L879 VanDerWaalsContact CA-O 3.3Å; S842-L879 WeakPolarHBondContact CA-O 3.37Å; F843-L879 HydrophobicContact CE1-CD2 4.2Å; F843-L879 HydrophobicContact CE1-CG 4.16Å; F843-L879 HydrophobicContact CE2-CD2 3.51Å; F843-L879 HydrophobicContact CE2-CG 4.28Å; F843-L879 HydrophobicContact CZ-CB 4.44Å; F843-L879 HydrophobicContact CZ-CD2 3.3Å; F843-L879 HydrophobicContact CZ-CG 3.74Å; F843-L879 PolarHBondContact N-O 3.41Å; L844-L879 HydrophobicContact CB-CB 4.17Å; L844-L879 HydrophobicContact CB-CD2 4.33Å; L844-L879 HydrophobicContact CD2-CD2 4.15Å; L844-L879 WeakPolarHBondContact O-CB 3.4Å; L844-L879 PolarHBondContact O-N 3.12Å; I861-L879 HydrophobicContact CD1-CD1 4.32Å; F870-L879 HydrophobicContact CB-CD1 4.33Å; A871-L879 CarbonylContact O-C 3.54Å; A871-L879 WeakPolarHBondContact O-CA 3.22Å; L872-L879 HydrophobicContact CB-CD1 3.82Å; L872-L879 HydrophobicContact CD1-CB 4.39Å; L872-L879 HydrophobicContact CD1-CD1 4.01Å; L872-L879 HydrophobicContact CG-CD1 4.37Å; G877-L879 PolarHBondContact O-N 3.3Å; L879-F899 HydrophobicContact CD1-CE2 4.5Å; L879-F899 HydrophobicContact CD1-CZ 4.31Å; L879-F899 HydrophobicContact CD2-CZ 3.8Å; L879-V917 HydrophobicContact CD2-CG1 4.1Å
880S93.8Very high88.8Confident29 Ų2952.3 Ų52.320%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-133.2154.3-173.359.20000112.6T841 F870 A871T841-S880 VanDerWaalsContact O-CA 3.25Å; T841-S880 WeakPolarHBondContact O-CA 3.15Å; T841-S880 WeakPolarHBondContact O-CB 3.33Å; F870-S880 CarbonylContact C-O 3.59Å; F870-S880 WeakPolarHBondContact CA-O 3.43Å; A871-S880 PolarHBondContact N-O 2.67Å; A871-S880 PolarHBondContact O-N 3.16Å; A871-S880 PolarHBondContact O-OG 3.26Å
881L92.1Very high87.4Confident1 Ų157 Ų571%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-78.1131176-70.4177000110.9V833 L837 G840 T841 F843 F870 L885V833-L881 HydrophobicContact CG1-CD1 4.2Å; L837-L881 HydrophobicContact CB-CD1 3.87Å; L837-L881 HydrophobicContact CD2-CD1 3.66Å; L837-L881 HydrophobicContact CG-CD1 3.9Å; G840-L881 WeakPolarHBondContact CA-O 3.4Å; G840-L881 PolarHBondContact N-O 3.5Å; T841-L881 PolarHBondContact O-N 3.06Å; F843-L881 HydrophobicContact CD1-CD2 4.27Å; F843-L881 HydrophobicContact CD1-CG 3.91Å; F843-L881 HydrophobicContact CE1-CD2 3.87Å; F843-L881 HydrophobicContact CE1-CG 3.95Å; F870-L881 HydrophobicContact CD1-CD2 3.83Å; F870-L881 HydrophobicContact CE1-CD2 3.59Å; L881-L885 HydrophobicContact CD2-CD1 3.99Å; L881-L885 HydrophobicContact CD2-CD2 4.46Å; L881-L885 HydrophobicContact CD2-CG 4.05Å
882L89.4Confident86Confident87 Ų8762.7 Ų62.746%0.45534%0.335SS..SBendtrans-92.4-29.8168.3-72.1173.8000112.2K867 L869 A871K867-L882 WeakPolarHBondContact O-CD1 3.47Å; L869-L882 PolarHBondContact O-N 3.41Å; A871-L882 HydrophobicContact CB-CD1 4.04Å; A871-L882 HydrophobicContact CB-CD2 3.86Å; A871-L882 HydrophobicContact CB-CG 3.81Å
883R85.7Confident84.2Confident146 Ų14668.3 Ų68.355%0.55136%0.36SS*.SBendtrans-134.3151.6177.4-68.7-17865.7-148.5-3.7108.9L869L869-R883 HydrophobicContact CD2-CB 4.34Å
884S81.8Confident83Confident78 Ų7871.5 Ų71.555%0.54538%0.375SS..  trans-61.8145.9168.251.90000109.7
885L87.1Confident82.5Confident12 Ų1269.5 Ų69.56%0.06336%0.363CS..  trans-90155.1171.5-56.7177.2000107.7V833 E835 F870 L881 I897 V919 V921V833-L885 HydrophobicContact CG1-CD1 4.21Å; E835-L885 VanDerWaalsContact O-O 3.06Å; F870-L885 HydrophobicContact CE1-CD1 4.39Å; F870-L885 HydrophobicContact CE1-CD2 4.49Å; L881-L885 HydrophobicContact CD2-CD1 3.99Å; L881-L885 HydrophobicContact CD2-CD2 4.46Å; L881-L885 HydrophobicContact CD2-CG 4.05Å; L885-I897 HydrophobicContact CD2-CD1 3.99Å; L885-V919 HydrophobicContact CD1-CG1 4.2Å; L885-V921 HydrophobicContact CB-CG1 4.19Å; L885-V921 HydrophobicContact CB-CG2 4.29Å; L885-V921 HydrophobicContact CD1-CG2 3.82Å
886D82.9Confident82.4Confident76 Ų7665.8 Ų65.841%0.40635%0.353SS..  trans-135.8113-175.4172.4-12.6000105.3E888 A889 F890D886-E888 PolarHBondContact OD1-N 3.05Å; D886-A889 HydrophobicContact CB-CB 4.13Å; D886-A889 PolarHBondContact O-N 2.83Å; D886-A889 PolarHBondContact OD1-N 2.98Å; D886-F890 WeakPolarHBondContact O-CD2 3.43Å; D886-F890 VanDerWaalsContact O-CE2 3.24Å; D886-F890 WeakPolarHBondContact O-CE2 3.11Å
887Y82.6Confident82.4Confident33 Ų3364.2 Ų64.213%0.12934%0.342CS..SBendtrans-67.9-38-172.8-177.2-89.7000110.9E835 A889 F890 A895 V921 D923 P960E835-Y887 WeakPolarHBondContact OE1-CB 3.22Å; E835-Y887 VanDerWaalsContact OE2-CB 3.31Å; E835-Y887 WeakPolarHBondContact OE2-CB 3.31Å; E835-Y887 PolarHBondContact OE2-N 2.87Å; Y887-A889 PolarHBondContact O-N 3.39Å; Y887-F890 PolarHBondContact O-N 3.38Å; Y887-A895 HydrophobicContact CD2-CB 3.32Å; Y887-A895 HydrophobicContact CE2-CB 3.31Å; Y887-A895 HydrophobicContact CG-CB 4.14Å; Y887-V921 HydrophobicContact CD2-CB 4.32Å; Y887-V921 HydrophobicContact CD2-CG1 4.22Å; Y887-V921 WeakPolarHBondContact CD2-O 3.2Å; Y887-V921 WeakPolarHBondContact CE2-O 3.32Å; Y887-D923 HydrophobicContact CD1-CB 3.8Å; Y887-D923 HydrophobicContact CD2-CB 3.84Å; Y887-D923 HydrophobicContact CE1-CB 3.8Å; Y887-D923 HydrophobicContact CE2-CB 3.82Å; Y887-D923 HydrophobicContact CG-CB 3.83Å; Y887-P960 HydrophobicContact CD1-CG 4.17Å; Y887-P960 HydrophobicContact CE1-CG 3.99Å
888E78.9Confident82.4Confident54 Ų5467.9 Ų67.925%0.25237%0.365SS..THydrogen-bonded Turntrans-69.5-17.1-178.6-71.459.6-123.700113.1D886 F890 Y927 P960D886-E888 PolarHBondContact OD1-N 3.05Å; E888-F890 VanDerWaalsContact C-N 3.31Å; E888-F890 PolarHBondContact O-N 2.68Å; E888-Y927 HydrophobicContact CG-CE2 4.12Å; E888-P960 WeakPolarHBondContact OE1-CD 3.37Å
889A78.7Confident82.4Confident72 Ų7264 Ų6460%0.59535%0.346SS*.THydrogen-bonded Turntrans-77.4-10.817700000114.2D886 Y887D886-A889 HydrophobicContact CB-CB 4.13Å; D886-A889 PolarHBondContact O-N 2.83Å; D886-A889 PolarHBondContact OD1-N 2.98Å; Y887-A889 PolarHBondContact O-N 3.39Å
890F79Confident82.5Confident48 Ų4866.1 Ų66.121%0.21136%0.357CS..SBendtrans-86129.3-178.4-71.8-95.4000112.5D886 Y887 E888 A895 I897 V921D886-F890 WeakPolarHBondContact O-CD2 3.43Å; D886-F890 VanDerWaalsContact O-CE2 3.24Å; D886-F890 WeakPolarHBondContact O-CE2 3.11Å; Y887-F890 PolarHBondContact O-N 3.38Å; E888-F890 VanDerWaalsContact C-N 3.31Å; E888-F890 PolarHBondContact O-N 2.68Å; F890-A895 HydrophobicContact CB-CB 4Å; F890-A895 HydrophobicContact CD1-CB 4.4Å; F890-A895 HydrophobicContact CD2-CB 3.76Å; F890-A895 HydrophobicContact CE2-CB 4.3Å; F890-A895 HydrophobicContact CG-CB 3.8Å; F890-I897 HydrophobicContact CE1-CD1 4.13Å; F890-I897 HydrophobicContact CE1-CG1 3.54Å; F890-I897 HydrophobicContact CZ-CD1 3.71Å; F890-I897 HydrophobicContact CZ-CG1 3.62Å; F890-V921 HydrophobicContact CE2-CB 4.44Å; F890-V921 HydrophobicContact CE2-CG2 3.89Å; F890-V921 HydrophobicContact CZ-CG2 3.86Å
891P64.5Low82.6Confident100 Ų10064.7 Ų64.765%0.64935%0.348SS*.G310 helixtrans-68.1143.9172.826.5-30.2000111.2Q893P891-Q893 PolarHBondContact O-N 3.22Å
892D63.9Low82.7Confident151 Ų15165.4 Ų65.481%0.80735%0.351SS*.G310 helixtrans67.325.4166.9-52.3-39.9000117.7E894D892-E894 PolarHBondContact O-N 3.05Å
893Q58Low82.9Confident140 Ų14061.3 Ų61.365%0.65433%0.329SS*.G310 helixtrans62.87.2174.6-54.9-175-46.500115.5P891P891-Q893 PolarHBondContact O-N 3.22Å
894E68.4Low83.2Confident155 Ų15556.8 Ų56.872%0.72431%0.314SS*.  trans-99.774171.5-69.3-170.9173.200110.1D892 S896D892-E894 PolarHBondContact O-N 3.05Å; E894-S896 PolarHBondContact O-N 3.27Å
895A82.5Confident83.6Confident7 Ų754 Ų546%0.05829%0.293CS..  trans-73.366.3179.800000112Y887 F890 V921Y887-A895 HydrophobicContact CD2-CB 3.32Å; Y887-A895 HydrophobicContact CE2-CB 3.31Å; Y887-A895 HydrophobicContact CG-CB 4.14Å; F890-A895 HydrophobicContact CB-CB 4Å; F890-A895 HydrophobicContact CD1-CB 4.4Å; F890-A895 HydrophobicContact CD2-CB 3.76Å; F890-A895 HydrophobicContact CE2-CB 4.3Å; F890-A895 HydrophobicContact CG-CB 3.8Å; A895-V921 HydrophobicContact CB-CB 3.98Å; A895-V921 WeakPolarHBondContact O-CB 3.48Å; A895-V921 PolarHBondContact O-N 3.1Å
896S89.3Confident83.6Confident49 Ų4956.8 Ų56.834%0.34331%0.307SS..EExtended strand (participates in β ladder)trans-128138178.575.20000111.5E894 V919E894-S896 PolarHBondContact O-N 3.27Å; S896-V919 CarbonylContact C-O 3.48Å; S896-V919 VanDerWaalsContact CA-O 3.27Å; S896-V919 WeakPolarHBondContact CA-O 3.44Å
897I90.7Very high83.5Confident23 Ų2361.9 Ų61.912%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-114.5114.4173.9-55166.8000107.6V866 L869 F870 L885 F890 F899 T918 V919V866-I897 HydrophobicContact CG1-CG2 3.75Å; L869-I897 HydrophobicContact CD1-CD1 3.96Å; F870-I897 HydrophobicContact CE2-CB 4.4Å; F870-I897 HydrophobicContact CE2-CD1 4.25Å; F870-I897 HydrophobicContact CE2-CG2 3.95Å; F870-I897 HydrophobicContact CZ-CB 4.45Å; F870-I897 HydrophobicContact CZ-CD1 3.85Å; F870-I897 HydrophobicContact CZ-CG2 4.48Å; L885-I897 HydrophobicContact CD2-CD1 3.99Å; F890-I897 HydrophobicContact CE1-CD1 4.13Å; F890-I897 HydrophobicContact CE1-CG1 3.54Å; F890-I897 HydrophobicContact CZ-CD1 3.71Å; F890-I897 HydrophobicContact CZ-CG1 3.62Å; I897-F899 HydrophobicContact CG2-CD1 4.23Å; I897-T918 WeakPolarHBondContact O-CA 3.36Å; I897-V919 PolarHBondContact N-O 3.19Å; I897-V919 PolarHBondContact O-N 2.62Å
898T92.6Very high83.4Confident78 Ų7861.4 Ų61.448%0.47933%0.327SS..EExtended strand (participates in β ladder)trans-107.6131.1174.6-58.70000110.3V917 T918T898-V917 CarbonylContact C-O 3.57Å; T898-V917 VanDerWaalsContact CA-O 3.31Å; T898-V917 WeakPolarHBondContact CA-O 3.49Å; T898-T918 WeakPolarHBondContact CG2-OG1 3.24Å; T898-T918 WeakPolarHBondContact OG1-CG2 3.5Å; T898-T918 PolarHBondContact OG1-OG1 2.86Å
899F94.8Very high83.5Confident3 Ų364.8 Ų64.81%0.01335%0.352CS..EExtended strand (participates in β ladder)trans-151168.3-179.965.7-88.5000112.1I861 V866 F870 L879 I897 V901 V917 V919I861-F899 HydrophobicContact CG1-CE2 4.44Å; I861-F899 HydrophobicContact CG2-CD2 4.11Å; I861-F899 HydrophobicContact CG2-CE2 4.38Å; V866-F899 HydrophobicContact CB-CB 4.46Å; V866-F899 HydrophobicContact CB-CG 4.4Å; V866-F899 HydrophobicContact CG1-CB 3.88Å; V866-F899 HydrophobicContact CG1-CD1 4.24Å; V866-F899 HydrophobicContact CG1-CG 4.2Å; V866-F899 HydrophobicContact CG2-CB 3.78Å; V866-F899 HydrophobicContact CG2-CD1 4.13Å; V866-F899 HydrophobicContact CG2-CD2 3.72Å; V866-F899 HydrophobicContact CG2-CE2 4.28Å; V866-F899 HydrophobicContact CG2-CG 3.62Å; F870-F899 HydrophobicContact CD2-CD1 4.06Å; F870-F899 AromaticContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE1 3.42Å; F870-F899 VanDerWaalsContact CD2-CE1 3.42Å; F870-F899 HydrophobicContact CD2-CE2 4.46Å; F870-F899 AromaticContact CD2-CZ 3.66Å; F870-F899 HydrophobicContact CD2-CZ 3.66Å; F870-F899 AromaticContact CE2-CD1 3.89Å; F870-F899 HydrophobicContact CE2-CD1 3.89Å; F870-F899 AromaticContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CE1 3.4Å; F870-F899 HydrophobicContact CE2-CZ 4.12Å; F870-F899 HydrophobicContact CG-CE1 4.29Å; F870-F899 HydrophobicContact CG-CZ 4.21Å; F870-F899 HydrophobicContact CZ-CE1 4.24Å; L879-F899 HydrophobicContact CD1-CE2 4.5Å; L879-F899 HydrophobicContact CD1-CZ 4.31Å; L879-F899 HydrophobicContact CD2-CZ 3.8Å; I897-F899 HydrophobicContact CG2-CD1 4.23Å; F899-V901 HydrophobicContact CD2-CG1 4.16Å; F899-V901 HydrophobicContact CE2-CG1 3.67Å; F899-V917 HydrophobicContact CD1-CB 4.46Å; F899-V917 HydrophobicContact CE1-CB 4.04Å; F899-V917 HydrophobicContact CE1-CG1 3.93Å; F899-V917 HydrophobicContact CE2-CB 4.09Å; F899-V917 HydrophobicContact CE2-CG2 4.43Å; F899-V917 HydrophobicContact CZ-CB 3.85Å; F899-V917 HydrophobicContact CZ-CG1 3.82Å; F899-V917 HydrophobicContact CZ-CG2 4.49Å; F899-V917 PolarHBondContact N-O 2.83Å; F899-V917 PolarHBondContact O-N 2.8Å; F899-V919 HydrophobicContact CE1-CG2 4.03Å
900L96Very high83.8Confident46 Ų4664.5 Ų64.524%0.24134%0.339CS..EExtended strand (participates in β ladder)trans-102.8135.9-177.8-61.9179.3000112.4R862 S863 I914 T916R862-L900 HydrophobicContact CB-CB 4.12Å; R862-L900 PolarHBondContact N-O 2.91Å; S863-L900 PolarHBondContact OG-N 3.15Å; L900-I914 HydrophobicContact CB-CG2 4.28Å; L900-I914 HydrophobicContact CD1-CG2 4.26Å; L900-I914 HydrophobicContact CD2-CG2 3.93Å; L900-I914 HydrophobicContact CG-CG2 4.4Å; L900-T916 HydrophobicContact CD2-CG2 3.37Å
901V95.2Very high84.3Confident0 Ų066 Ų660%035%0.353CS..EExtended strand (participates in β ladder)trans-113.5149.5167.5-63.40000109.2F824 I846 I861 L872 F899 I914 A915 V917F824-V901 HydrophobicContact CE1-CG2 4.31Å; F824-V901 HydrophobicContact CE2-CG2 4.46Å; F824-V901 HydrophobicContact CZ-CG2 3.93Å; I846-V901 HydrophobicContact CD1-CB 3.95Å; I846-V901 HydrophobicContact CD1-CG1 4.26Å; I846-V901 HydrophobicContact CD1-CG2 3.68Å; I861-V901 HydrophobicContact CG1-CG1 4.49Å; L872-V901 HydrophobicContact CD2-CB 4.17Å; L872-V901 HydrophobicContact CD2-CG1 3.9Å; F899-V901 HydrophobicContact CD2-CG1 4.16Å; F899-V901 HydrophobicContact CE2-CG1 3.67Å; V901-I914 WeakPolarHBondContact O-CA 3.43Å; V901-A915 HydrophobicContact CG2-CB 3.96Å; V901-A915 PolarHBondContact N-O 3.35Å; V901-A915 PolarHBondContact O-N 2.89Å; V901-V917 HydrophobicContact CG1-CG2 3.93Å; V901-V917 HydrophobicContact CG2-CG2 3.85Å
902E94.2Very high85.5Confident16 Ų1663.6 Ų63.68%0.07534%0.338CS..EExtended strand (participates in β ladder)trans-131144178.870.4-170.2168.600112Y859 R860 R862 P912 G913 I914Y859-E902 WeakPolarHBondContact CA-O 3.19Å; R860-E902 HydrophobicContact CG-CG 3.66Å; R860-E902 IonicContact CZ-OE1 3.26Å; R860-E902 PolarHBondContact N-O 3.38Å; R860-E902 IonicContact NE-OE1 3.81Å; R860-E902 PolarHBondContact NE-OE1 3.34Å; R860-E902 IonicContact NH2-OE1 3.86Å; R860-E902 PolarHBondContact NH2-OE1 3.19Å; R860-E902 PolarHBondContact O-N 3.41Å; R862-E902 HydrophobicContact CB-CG 4.42Å; E902-P912 HydrophobicContact CB-CB 4.19Å; E902-G913 CarbonylContact C-O 3.54Å; E902-G913 WeakPolarHBondContact CA-O 3.35Å; E902-G913 WeakPolarHBondContact CB-O 3.34Å; E902-I914 HydrophobicContact CB-CG1 4.48Å
903A94.2Very high86.9Confident0 Ų057 Ų570%031%0.305CS..EExtended strand (participates in β ladder)trans-116.5127.6176.100000108.5P822 F824 A848 V857 S858 Y859 P912 G913P822-A903 HydrophobicContact CB-CB 4.07Å; F824-A903 HydrophobicContact CD2-CB 4.47Å; F824-A903 HydrophobicContact CE1-CB 3.98Å; F824-A903 HydrophobicContact CE2-CB 3.74Å; F824-A903 HydrophobicContact CZ-CB 3.45Å; F824-A903 VanDerWaalsContact CZ-CB 3.45Å; A848-A903 HydrophobicContact CB-CB 3.5Å; A848-A903 VanDerWaalsContact CB-CB 3.5Å; V857-A903 HydrophobicContact CG1-CB 3.81Å; S858-A903 WeakPolarHBondContact O-CA 3.42Å; Y859-A903 HydrophobicContact CD1-CB 3.96Å; Y859-A903 HydrophobicContact CE1-CB 3.98Å; A903-P912 CarbonylContact O-C 3.48Å; A903-P912 WeakPolarHBondContact O-CA 3.38Å; A903-P912 WeakPolarHBondContact O-CB 3.41Å; A903-G913 PolarHBondContact N-O 3.44Å; A903-G913 PolarHBondContact O-N 3.16Å
904F92.3Very high88.6Confident51 Ų5154.1 Ų54.122%0.22429%0.293CS..EExtended strand (participates in β ladder)trans-133.9144.3179.158.6-80.8000109.8S858 R860 P912S858-F904 PolarHBondContact N-O 3.38Å; S858-F904 VanDerWaalsContact O-CD1 3.32Å; S858-F904 WeakPolarHBondContact O-CD1 3.37Å; S858-F904 PolarHBondContact O-N 3.22Å; R860-F904 HydrophobicContact CG-CE1 3.91Å; F904-P912 HydrophobicContact CB-CB 4.06Å
905D90.9Very high89.8Confident21 Ų2146.8 Ų46.811%0.11226%0.259CS..EExtended strand (participates in β ladder)trans-72.1135.8165.8-176.721000109.3P822 N856 Y907 G908P822-D905 HydrophobicContact CG-CB 4.42Å; N856-D905 WeakPolarHBondContact CA-OD1 3.44Å; N856-D905 PolarHBondContact N-OD1 3.12Å; D905-Y907 VanDerWaalsContact C-N 3.3Å; D905-Y907 PolarHBondContact OD1-N 3.37Å; D905-G908 WeakPolarHBondContact OD2-CA 3.09Å; D905-G908 PolarHBondContact OD2-N 3.4Å
906I86.2Confident90.4Very high69 Ų6948.5 Ų48.535%0.35427%0.269SS..SBendtrans-69.1-32-178.8-65.4164.7000111.4N856 F875N856-I906 HydrophobicContact CB-CD1 4.37Å; N856-I906 WeakPolarHBondContact O-CD1 3.29Å; N856-I906 WeakPolarHBondContact O-CG1 3.18Å; N856-I906 PolarHBondContact O-N 2.83Å; F875-I906 HydrophobicContact CE1-CD1 3.9Å
907Y81.6Confident90.7Very high183 Ų18346.1 Ų46.172%0.71825%0.253SS*.SBendtrans-105-19.7-176.9-58.9-65.1000113.4N856 D905N856-Y907 HydrophobicContact CB-CD2 4.45Å; N856-Y907 HydrophobicContact CB-CE2 4.46Å; D905-Y907 VanDerWaalsContact C-N 3.3Å; D905-Y907 PolarHBondContact OD1-N 3.37Å
908G79.6Confident90.9Very high24 Ų2446.5 Ų46.525%0.24726%0.256CS..  trans-69.7166.7174.400000114.9D818 D905D818-G908 WeakPolarHBondContact OD1-CA 3.38Å; D818-G908 VanDerWaalsContact OD2-CA 3.26Å; D818-G908 WeakPolarHBondContact OD2-CA 3.35Å; D905-G908 WeakPolarHBondContact OD2-CA 3.09Å; D905-G908 PolarHBondContact OD2-N 3.4Å
909T80.9Confident90.9Very high124 Ų12442.8 Ų42.876%0.76123%0.233SC*.  trans-117.4-13.5-177.360.80000111.6D818D818-T909 WeakPolarHBondContact OD2-CA 3.47Å; D818-T909 PolarHBondContact OD2-N 2.87Å; D818-T909 PolarHBondContact OD2-OG1 2.67Å
910M86Confident90.6Very high67 Ų6745.9 Ų45.933%0.3325%0.249SC..SBendtrans-65.3150.7177.2-71.5-60.5-71.100112.4D818 D819D818-M910 VanDerWaalsContact O-CG 3.31Å; D818-M910 WeakPolarHBondContact O-CG 3.46Å; D818-M910 PolarHBondContact OD2-N 2.98Å; D819-M910 VanDerWaalsContact O-CE 3.25Å; D819-M910 WeakPolarHBondContact O-CE 3.44Å
911P88.5Confident90.2Very high79 Ų7943.9 Ų43.951%0.51324%0.239SC..PPolyproline II helixtrans-57.2150.5177.2-23.734.2000112.1S821S821-P911 VanDerWaalsContact CB-O 3.24Å; S821-P911 WeakPolarHBondContact CB-O 3.4Å; S821-P911 PolarHBondContact OG-O 2.66Å
912P90.8Very high89.7Confident49 Ų4948.3 Ų48.332%0.31826%0.258SS..PPolyproline II helixtrans-67.8141.8176.429.3-35.2000111.4E902 A903 F904E902-P912 HydrophobicContact CB-CB 4.19Å; A903-P912 CarbonylContact O-C 3.48Å; A903-P912 WeakPolarHBondContact O-CA 3.38Å; A903-P912 WeakPolarHBondContact O-CB 3.41Å; F904-P912 HydrophobicContact CB-CB 4.06Å
913G91.7Very high89Confident12 Ų1249 Ų4912%0.12426%0.262CS..EExtended strand (participates in β ladder)trans-68.3144.7164.500000110.8P822 F824 E902 A903P822-G913 VanDerWaalsContact O-CA 3.22Å; P822-G913 WeakPolarHBondContact O-CA 3.14Å; F824-G913 WeakPolarHBondContact CE2-O 3.46Å; E902-G913 CarbonylContact C-O 3.54Å; E902-G913 WeakPolarHBondContact CA-O 3.35Å; E902-G913 WeakPolarHBondContact CB-O 3.34Å; A903-G913 PolarHBondContact N-O 3.44Å; A903-G913 PolarHBondContact O-N 3.16Å
914I94.7Very high88.4Confident80 Ų8050.3 Ų50.341%0.4127%0.269SS..EExtended strand (participates in β ladder)trans-123.8135.6-178.1-58.4173.1000109L900 V901 E902L900-I914 HydrophobicContact CB-CG2 4.28Å; L900-I914 HydrophobicContact CD1-CG2 4.26Å; L900-I914 HydrophobicContact CD2-CG2 3.93Å; L900-I914 HydrophobicContact CG-CG2 4.4Å; V901-I914 WeakPolarHBondContact O-CA 3.43Å; E902-I914 HydrophobicContact CB-CG1 4.48Å
915A94Very high87.9Confident1 Ų148.6 Ų48.61%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-128.6151.8168.900000110.9F824 S827 Y829 V901F824-A915 HydrophobicContact CB-CB 4.06Å; F824-A915 HydrophobicContact CD1-CB 4.2Å; F824-A915 HydrophobicContact CD2-CB 3.44Å; F824-A915 VanDerWaalsContact CD2-CB 3.44Å; F824-A915 HydrophobicContact CE2-CB 3.82Å; F824-A915 HydrophobicContact CG-CB 3.64Å; F824-A915 HydrophobicContact CZ-CB 4.36Å; S827-A915 WeakPolarHBondContact O-CA 3.45Å; Y829-A915 HydrophobicContact CD2-CB 4.21Å; Y829-A915 HydrophobicContact CE2-CB 3.99Å; V901-A915 HydrophobicContact CG2-CB 3.96Å; V901-A915 PolarHBondContact N-O 3.35Å; V901-A915 PolarHBondContact O-N 2.89Å
916T95.1Very high87.5Confident43 Ų4351.3 Ų51.326%0.26428%0.276SS..EExtended strand (participates in β ladder)trans-94.1133.2174.248.10000109.4S827 T828 Y829 L900S827-T916 PolarHBondContact O-N 2.79Å; S827-T916 PolarHBondContact O-OG1 3.36Å; T828-T916 CarbonylContact C-O 3.55Å; T828-T916 WeakPolarHBondContact CA-O 3.49Å; T828-T916 WeakPolarHBondContact CA-OG1 3.32Å; T828-T916 WeakPolarHBondContact CG2-OG1 3.44Å; Y829-T916 PolarHBondContact N-O 2.94Å; L900-T916 HydrophobicContact CD2-CG2 3.37Å
917V95.1Very high87.3Confident0 Ų052.4 Ų52.40%028%0.277CS..EExtended strand (participates in β ladder)trans-116.1121.8172.9-178.60000107.8Y829 L844 L879 T898 F899 V901 V919Y829-V917 CarbonylContact O-C 3.58Å; Y829-V917 WeakPolarHBondContact O-CA 3.3Å; L844-V917 HydrophobicContact CD2-CG1 3.7Å; L844-V917 HydrophobicContact CD2-CG2 4.33Å; L879-V917 HydrophobicContact CD2-CG1 4.1Å; T898-V917 CarbonylContact C-O 3.57Å; T898-V917 VanDerWaalsContact CA-O 3.31Å; T898-V917 WeakPolarHBondContact CA-O 3.49Å; F899-V917 HydrophobicContact CD1-CB 4.46Å; F899-V917 HydrophobicContact CE1-CB 4.04Å; F899-V917 HydrophobicContact CE1-CG1 3.93Å; F899-V917 HydrophobicContact CE2-CB 4.09Å; F899-V917 HydrophobicContact CE2-CG2 4.43Å; F899-V917 HydrophobicContact CZ-CB 3.85Å; F899-V917 HydrophobicContact CZ-CG1 3.82Å; F899-V917 HydrophobicContact CZ-CG2 4.49Å; F899-V917 PolarHBondContact N-O 2.83Å; F899-V917 PolarHBondContact O-N 2.8Å; V901-V917 HydrophobicContact CG1-CG2 3.93Å; V901-V917 HydrophobicContact CG2-CG2 3.85Å; V917-V919 HydrophobicContact CG1-CG2 4.18Å
918T94Very high87.6Confident31 Ų3146 Ų4619%0.1926%0.257CS..EExtended strand (participates in β ladder)trans-112.2113174.4-60.40000108.7Y829 T830 V831 I897 T898 I920Y829-T918 PolarHBondContact O-N 3.41Å; T830-T918 WeakPolarHBondContact CA-O 3.47Å; V831-T918 PolarHBondContact N-O 2.79Å; I897-T918 WeakPolarHBondContact O-CA 3.36Å; T898-T918 WeakPolarHBondContact CG2-OG1 3.24Å; T898-T918 WeakPolarHBondContact OG1-CG2 3.5Å; T898-T918 PolarHBondContact OG1-OG1 2.86Å; T918-I920 HydrophobicContact CG2-CG1 4.21Å
919V92.4Very high88.1Confident0 Ų044.8 Ų44.80%025%0.246CC..EExtended strand (participates in β ladder)trans-96.5112.4174.5-177.20000107.7V831 V833 F843 F870 L885 S896 I897 F899 V917V831-V919 HydrophobicContact CG1-CG2 4.04Å; V833-V919 HydrophobicContact CB-CG1 3.98Å; V833-V919 HydrophobicContact CG2-CG1 3.76Å; F843-V919 HydrophobicContact CE2-CG2 3.81Å; F843-V919 HydrophobicContact CZ-CG2 4.12Å; F870-V919 HydrophobicContact CE1-CG2 4.33Å; F870-V919 HydrophobicContact CZ-CB 4.31Å; F870-V919 HydrophobicContact CZ-CG1 4.46Å; F870-V919 HydrophobicContact CZ-CG2 3.99Å; L885-V919 HydrophobicContact CD1-CG1 4.2Å; S896-V919 CarbonylContact C-O 3.48Å; S896-V919 VanDerWaalsContact CA-O 3.27Å; S896-V919 WeakPolarHBondContact CA-O 3.44Å; I897-V919 PolarHBondContact N-O 3.19Å; I897-V919 PolarHBondContact O-N 2.62Å; F899-V919 HydrophobicContact CE1-CG2 4.03Å; V917-V919 HydrophobicContact CG1-CG2 4.18Å
920I89.5Confident88.6Confident68 Ų6843.5 Ų43.535%0.34924%0.237SC..EExtended strand (participates in β ladder)trans-91.7116.4173.9-58.2174.7000107.1T830 V831 V832 V833 T918T830-I920 HydrophobicContact CG2-CD1 3.66Å; T830-I920 HydrophobicContact CG2-CG1 4.19Å; V831-I920 PolarHBondContact O-N 3.32Å; V832-I920 CarbonylContact C-O 3.21Å; V832-I920 WeakPolarHBondContact CA-O 3.43Å; V832-I920 HydrophobicContact CG2-CB 4.36Å; V833-I920 PolarHBondContact N-O 3.15Å; T918-I920 HydrophobicContact CG2-CG1 4.21Å
921V88.2Confident88.9Confident4 Ų441.3 Ų41.32%0.02423%0.226CC..EExtended strand (participates in β ladder)trans-80.3124.3176.2-1700000108.1V833 E835 L885 Y887 F890 A895V833-V921 CarbonylContact O-C 3.53Å; V833-V921 WeakPolarHBondContact O-CA 3.39Å; E835-V921 HydrophobicContact CB-CG1 3.79Å; L885-V921 HydrophobicContact CB-CG1 4.19Å; L885-V921 HydrophobicContact CB-CG2 4.29Å; L885-V921 HydrophobicContact CD1-CG2 3.82Å; Y887-V921 HydrophobicContact CD2-CB 4.32Å; Y887-V921 HydrophobicContact CD2-CG1 4.22Å; Y887-V921 WeakPolarHBondContact CD2-O 3.2Å; Y887-V921 WeakPolarHBondContact CE2-O 3.32Å; F890-V921 HydrophobicContact CE2-CB 4.44Å; F890-V921 HydrophobicContact CE2-CG2 3.89Å; F890-V921 HydrophobicContact CZ-CG2 3.86Å; A895-V921 HydrophobicContact CB-CB 3.98Å; A895-V921 WeakPolarHBondContact O-CB 3.48Å; A895-V921 PolarHBondContact O-N 3.1Å
922K83Confident88.9Confident92 Ų9241 Ų4140%0.423%0.226SC..EExtended strand (participates in β ladder)trans-95.7121176.2177.4-179.8161.8-149.40108.9V832 V833 E834 E835V832-K922 HydrophobicContact CG1-CB 3.79Å; V832-K922 HydrophobicContact CG1-CD 4.3Å; V833-K922 PolarHBondContact O-N 3.48Å; E834-K922 HydrophobicContact CG-CB 4.49Å; E834-K922 HydrophobicContact CG-CD 4.15Å; E834-K922 IonicContact OE1-NZ 2.98Å; E834-K922 PolarHBondContact OE1-NZ 2.77Å; E835-K922 PolarHBondContact N-O 2.87Å
923D80.7Confident88.8Confident30 Ų3044.8 Ų44.816%0.1624%0.237CC..PPolyproline II helixtrans-51.8132.6171.8-179.11.2000111.3E835 Y887 M963E835-D923 WeakPolarHBondContact OE1-CA 3.42Å; Y887-D923 HydrophobicContact CD1-CB 3.8Å; Y887-D923 HydrophobicContact CD2-CB 3.84Å; Y887-D923 HydrophobicContact CE1-CB 3.8Å; Y887-D923 HydrophobicContact CE2-CB 3.82Å; Y887-D923 HydrophobicContact CG-CB 3.83Å; D923-M963 WeakPolarHBondContact OD2-CE 3.07Å
924M81.4Confident88.6Confident29 Ų2955.2 Ų55.214%0.14327%0.273CS..  trans-128.8126175-67.4-60.7-32.600110E834 E835 D926E834-M924 HydrophobicContact CB-CG 4.12Å; E834-M924 HydrophobicContact CB-SD 4.24Å; E834-M924 HydrophobicContact CG-SD 4.16Å; E835-M924 HydrophobicContact CG-CB 3.94Å; E835-M924 HydrophobicContact CG-CG 4.13Å; E835-M924 PolarHBondContact OE1-N 3.44Å; M924-D926 PolarHBondContact O-N 3.33Å
925N82.3Confident88.3Confident15 Ų1555.9 Ų55.98%0.0828%0.276CS..  trans-52.798.9175.3-16861.4000112.4D959 A965 D1015 P1019N925-D959 PolarHBondContact OD1-OD2 2.94Å; N925-A965 HydrophobicContact CB-CB 4.17Å; N925-A965 VanDerWaalsContact OD1-CA 3.27Å; N925-A965 WeakPolarHBondContact OD1-CA 3.47Å; N925-A965 WeakPolarHBondContact OD1-CB 3.23Å; N925-D1015 PolarHBondContact ND2-OD1 3.02Å; N925-P1019 PolarHBondContact ND2-O 3.36Å
926D82.2Confident88.1Confident77 Ų7756.4 Ų56.441%0.41228%0.278SS..  trans-124.8-9.6-176.684-27000113.9M924M924-D926 PolarHBondContact O-N 3.33Å
927Y82.2Confident87.7Confident92 Ų9260.9 Ų60.936%0.36129%0.294SS..PPolyproline II helixtrans-98125.7170-70.3-76.3000111.8E888 D957 A958 D959E888-Y927 HydrophobicContact CG-CE2 4.12Å; Y927-D957 WeakPolarHBondContact CB-OD1 3.48Å; Y927-A958 HydrophobicContact CD1-CB 3.75Å; Y927-A958 HydrophobicContact CD2-CB 4.23Å; Y927-A958 HydrophobicContact CE1-CB 4.37Å; Y927-A958 HydrophobicContact CG-CB 3.7Å; Y927-D959 WeakPolarHBondContact CD2-OD1 3.26Å
928P86.5Confident87.2Confident48 Ų4861 Ų6131%0.31230%0.295SS..PPolyproline II helixtrans-86150.9170.729.3-29.5000111.6V930 M1021P928-V930 WeakPolarHBondContact O-CG2 3.47Å; P928-V930 PolarHBondContact O-N 2.81Å; P928-M1021 HydrophobicContact CB-CB 3.91Å; P928-M1021 HydrophobicContact CB-CE 4Å; P928-M1021 HydrophobicContact CG-CE 4.03Å
929P91.7Very high86.8Confident0 Ų061.6 Ų61.60%030%0.296CS..PPolyproline II helixtrans-60133.3175.4-23.829.7000111.7A955 E956 D957 V968 A1013 D1015 S1023P929-A955 HydrophobicContact CB-CB 4.45Å; P929-E956 CarbonylContact C-O 3.57Å; P929-D957 WeakPolarHBondContact CA-OD2 3.33Å; P929-D957 WeakPolarHBondContact CD-OD2 3.38Å; P929-D957 WeakPolarHBondContact CG-OD2 3.41Å; P929-V968 HydrophobicContact CB-CG1 4.07Å; P929-V968 HydrophobicContact CB-CG2 4.01Å; P929-V968 HydrophobicContact CG-CG2 4.3Å; P929-A1013 HydrophobicContact CB-CB 3.95Å; P929-D1015 VanDerWaalsContact CD-OD2 3.24Å; P929-D1015 WeakPolarHBondContact CD-OD2 3.33Å; P929-D1015 HydrophobicContact CG-CB 4.1Å; P929-S1023 WeakPolarHBondContact O-CB 3.15Å; P929-S1023 PolarHBondContact O-OG 2.73Å
930V90.4Very high86.4Confident96 Ų9661.6 Ų61.658%0.58230%0.297SS*.EExtended strand (participates in β ladder)trans-114.5118.5-176.2-175.40000111.9P928 A955 E956P928-V930 WeakPolarHBondContact O-CG2 3.47Å; P928-V930 PolarHBondContact O-N 2.81Å; V930-A955 CarbonylContact O-C 3.51Å; V930-A955 WeakPolarHBondContact O-CA 3.38Å; V930-A955 WeakPolarHBondContact O-CB 3.49Å; V930-E956 PolarHBondContact N-O 3.33Å; V930-E956 PolarHBondContact O-N 2.88Å
931F92.6Very high86Confident22 Ų2259 Ų5910%0.09629%0.285CS..EExtended strand (participates in β ladder)trans-66.5133.9174.1-75.6-83.2000113.1K933 Y936 V953 A955 Y970 V1011 A1013 S1023 A1025F931-K933 PolarHBondContact O-N 2.82Å; F931-K933 VanDerWaalsContact O-N 3.16Å; F931-Y936 HydrophobicContact CD1-CE2 4.02Å; F931-V953 HydrophobicContact CD1-CB 4.37Å; F931-V953 HydrophobicContact CE1-CB 3.97Å; F931-V953 HydrophobicContact CE1-CG2 3.99Å; F931-A955 HydrophobicContact CB-CB 4.5Å; F931-A955 HydrophobicContact CD1-CB 3.92Å; F931-A955 HydrophobicContact CD2-CB 4.42Å; F931-A955 HydrophobicContact CE1-CB 4.23Å; F931-A955 HydrophobicContact CG-CB 4.03Å; F931-Y970 HydrophobicContact CE1-CD1 4.06Å; F931-Y970 AromaticContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CZ-CD1 4.22Å; F931-Y970 HydrophobicContact CZ-CE1 4.3Å; F931-V1011 HydrophobicContact CZ-CG1 4.22Å; F931-A1013 HydrophobicContact CD2-CB 4.29Å; F931-A1013 HydrophobicContact CE1-CB 4.15Å; F931-A1013 HydrophobicContact CE2-CB 3.5Å; F931-A1013 VanDerWaalsContact CE2-CB 3.5Å; F931-A1013 HydrophobicContact CZ-CB 3.42Å; F931-A1013 VanDerWaalsContact CZ-CB 3.42Å; F931-S1023 VanDerWaalsContact CD2-OG 3.31Å; F931-S1023 WeakPolarHBondContact CD2-OG 3.2Å; F931-A1025 HydrophobicContact CB-CB 4.06Å; F931-A1025 HydrophobicContact CD1-CB 3.75Å; F931-A1025 HydrophobicContact CD2-CB 3.6Å; F931-A1025 HydrophobicContact CE1-CB 4.03Å; F931-A1025 HydrophobicContact CE2-CB 3.88Å; F931-A1025 HydrophobicContact CG-CB 3.52Å; F931-A1025 HydrophobicContact CZ-CB 4.08Å
932S89.3Confident85.7Confident73 Ų7359.4 Ų59.451%0.5129%0.288SS..SBendtrans-60.2-23.9173.452.40000114Y936 Y954S932-Y936 PolarHBondContact OG-OH 3.42Å; S932-Y954 PolarHBondContact N-O 3.1Å; S932-Y954 PolarHBondContact OG-O 3.13Å
933K87.5Confident85.6Confident127 Ų12759.8 Ų59.855%0.55229%0.294SS*.  trans-138.5140.6174.1-57.7175.4-174.9168.90110.6F931 Y936F931-K933 PolarHBondContact O-N 2.82Å; F931-K933 VanDerWaalsContact O-N 3.16Å; K933-Y936 HydrophobicContact CB-CD2 4.33Å; K933-Y936 HydrophobicContact CB-CE1 4.06Å; K933-Y936 HydrophobicContact CB-CE2 3.87Å; K933-Y936 HydrophobicContact CD-CD1 4.2Å; K933-Y936 HydrophobicContact CD-CE1 3.94Å; K933-Y936 HydrophobicContact CG-CE1 4.22Å; K933-Y936 PolarHBondContact N-OH 3.26Å; K933-Y936 WeakPolarHBondContact O-CE2 3.35Å
934R87.5Confident85.8Confident231 Ų23158.7 Ų58.787%0.87229%0.29SS*.SBendtrans-68.4-32.6171-77.1-172.3175.3-158-1.3113.6T1026R934-T1026 PolarHBondContact O-N 2.82Å
935I89.4Confident85.9Confident95 Ų9561.8 Ų61.849%0.48731%0.31SS..EExtended strand (participates in β ladder)trans-133.9121.1-177.6-56.3175.5000109.7T1026 R1028I935-T1026 CarbonylContact C-O 3.45Å; I935-T1026 VanDerWaalsContact CA-O 3.28Å; I935-T1026 WeakPolarHBondContact CA-O 3.29Å; I935-R1028 HydrophobicContact CG2-CG 4.13Å
936Y89.9Confident86Confident11 Ų1167.9 Ų67.94%0.04334%0.335CS..EExtended strand (participates in β ladder)trans-98.6151.6170.2-64.8-98.2000109.8F931 S932 K933 V953 Y954 A1025 T1026 V1027 R1028F931-Y936 HydrophobicContact CD1-CE2 4.02Å; S932-Y936 PolarHBondContact OG-OH 3.42Å; K933-Y936 HydrophobicContact CB-CD2 4.33Å; K933-Y936 HydrophobicContact CB-CE1 4.06Å; K933-Y936 HydrophobicContact CB-CE2 3.87Å; K933-Y936 HydrophobicContact CD-CD1 4.2Å; K933-Y936 HydrophobicContact CD-CE1 3.94Å; K933-Y936 HydrophobicContact CG-CE1 4.22Å; K933-Y936 PolarHBondContact N-OH 3.26Å; K933-Y936 WeakPolarHBondContact O-CE2 3.35Å; Y936-V953 HydrophobicContact CD1-CG1 4.14Å; Y936-V953 HydrophobicContact CD2-CB 4.36Å; Y936-V953 HydrophobicContact CD2-CG1 3.71Å; Y936-V953 HydrophobicContact CE1-CB 4.37Å; Y936-V953 HydrophobicContact CE1-CG1 4.4Å; Y936-V953 HydrophobicContact CE2-CB 4.11Å; Y936-V953 HydrophobicContact CE2-CG1 3.98Å; Y936-V953 HydrophobicContact CG-CG1 3.81Å; Y936-Y954 PolarHBondContact OH-N 2.81Å; Y936-Y954 PolarHBondContact OH-O 2.88Å; Y936-A1025 HydrophobicContact CD2-CB 4.27Å; Y936-A1025 HydrophobicContact CE2-CB 4.06Å; Y936-T1026 PolarHBondContact N-O 3.28Å; Y936-V1027 CarbonylContact O-C 3.54Å; Y936-V1027 WeakPolarHBondContact O-CA 3.37Å; Y936-R1028 PolarHBondContact O-N 3.49Å
937K86.1Confident86Confident138 Ų13866.3 Ų66.360%0.634%0.337SS*.EExtended strand (participates in β ladder)trans-119.8143.5176.7-64.7-179.9-176.3175.40108.4T951 R1028 L1124K937-T951 PolarHBondContact O-OG1 3.2Å; K937-R1028 CarbonylContact C-O 3.59Å; K937-R1028 WeakPolarHBondContact CA-O 3.26Å; K937-L1124 HydrophobicContact CB-CD2 4.25Å; K937-L1124 WeakPolarHBondContact O-CD2 3.45Å
938G85.5Confident86.1Confident3 Ų363.8 Ų63.83%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-142.5155.1178.200000110.5R1028 I1029 L1030G938-R1028 PolarHBondContact N-O 3.38Å; G938-I1029 CarbonylContact O-C 3.55Å; G938-I1029 WeakPolarHBondContact O-CA 3.24Å; G938-L1030 PolarHBondContact O-N 2.67Å
939M83.7Confident86.1Confident42 Ų4265.1 Ų65.121%0.20734%0.341CS..EExtended strand (participates in β ladder)trans-128.4142.5174.9-69.2174.6176.100108.9L1030 L1032 V1119 L1124 V1126M939-L1030 WeakPolarHBondContact CA-O 3.47Å; M939-L1030 HydrophobicContact CE-CD2 4.4Å; M939-L1030 HydrophobicContact CG-CB 4.42Å; M939-L1032 HydrophobicContact CB-CD1 4.25Å; M939-L1032 HydrophobicContact CB-CD2 4.35Å; M939-L1032 HydrophobicContact CB-CG 4.22Å; M939-L1032 HydrophobicContact CG-CD2 4.24Å; M939-L1032 HydrophobicContact SD-CD2 4.07Å; M939-V1119 HydrophobicContact SD-CG2 4.25Å; M939-L1124 HydrophobicContact CE-CB 4.44Å; M939-L1124 HydrophobicContact CE-CD1 3.75Å; M939-L1124 HydrophobicContact CG-CB 4.2Å; M939-L1124 HydrophobicContact CG-CD1 4.48Å; M939-L1124 HydrophobicContact SD-CB 3.76Å; M939-L1124 HydrophobicContact SD-CD1 4.16Å; M939-V1126 HydrophobicContact CB-CG2 3.81Å; M939-V1126 WeakPolarHBondContact O-CG2 3.2Å
940V85.2Confident85.8Confident1 Ų165.7 Ų65.71%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-144.1147.2-17971.70000110.6A944 I950 F984 T995 L999 I1029 L1030 V1031 L1032V940-A944 HydrophobicContact CG2-CB 3.5Å; V940-A944 VanDerWaalsContact CG2-CB 3.5Å; V940-I950 HydrophobicContact CB-CD1 4.35Å; V940-I950 HydrophobicContact CB-CG1 4.27Å; V940-I950 HydrophobicContact CG2-CD1 4.3Å; V940-I950 HydrophobicContact CG2-CG1 4.19Å; V940-F984 HydrophobicContact CG1-CE1 4.37Å; V940-F984 HydrophobicContact CG1-CZ 4.39Å; V940-T995 HydrophobicContact CG2-CG2 3.94Å; V940-L999 HydrophobicContact CB-CD1 4.45Å; V940-L999 HydrophobicContact CG1-CD1 3.84Å; V940-L999 HydrophobicContact CG2-CD1 3.71Å; V940-I1029 HydrophobicContact CB-CG2 4.25Å; V940-I1029 HydrophobicContact CG1-CG2 3.68Å; V940-L1030 PolarHBondContact N-O 3.44Å; V940-V1031 HydrophobicContact CG1-CG2 4.19Å; V940-V1031 WeakPolarHBondContact O-CA 3.23Å; V940-L1032 PolarHBondContact O-N 3.15Å
941A79.8Confident85.7Confident13 Ų1362.5 Ų62.511%0.10732%0.324CS..  trans-70.2147.5173.200000110.9D943 A944 I1037 V1126A941-D943 PolarHBondContact O-N 3.27Å; A941-A944 HydrophobicContact CB-CB 4.25Å; A941-A944 WeakPolarHBondContact O-CB 3.4Å; A941-A944 PolarHBondContact O-N 3.15Å; A941-I1037 HydrophobicContact CB-CD1 3.61Å; A941-V1126 HydrophobicContact CB-CG1 4.06Å
942P83.7Confident85.6Confident12 Ų1265.2 Ų65.28%0.07834%0.342CS..THydrogen-bonded Turntrans-64.7-24.8-179.423.5-29.7000113.4L999 N1000 E1001 V1031 L1032 P1034P942-L999 CarbonylContact O-C 3.56Å; P942-L999 WeakPolarHBondContact O-CB 3.3Å; P942-N1000 WeakPolarHBondContact O-CA 3.05Å; P942-N1000 PolarHBondContact O-N 3.46Å; P942-E1001 VanDerWaalsContact CB-O 3.23Å; P942-E1001 WeakPolarHBondContact CB-O 3.27Å; P942-E1001 PolarHBondContact O-N 2.79Å; P942-E1001 VanDerWaalsContact O-N 3.09Å; P942-V1031 HydrophobicContact CB-CG1 3.65Å; P942-V1031 HydrophobicContact CG-CG1 4.5Å; P942-L1032 WeakPolarHBondContact CD-O 3.42Å; P942-P1034 HydrophobicContact CG-CG 3.86Å
943D81.1Confident85.8Confident100 Ų10061.8 Ų61.854%0.53532%0.318SS..THydrogen-bonded Turntrans-109.522.6178.461.4-21.1000112.8A941 V945 L999A941-D943 PolarHBondContact O-N 3.27Å; D943-V945 PolarHBondContact O-N 2.79Å; D943-L999 WeakPolarHBondContact CA-O 3.49Å
944A82.9Confident86Confident8 Ų861.4 Ų61.47%0.06631%0.314CS..PPolyproline II helixtrans-59.7127.9-178.300000111.7V940 A941 T948 T995 N998 L999V940-A944 HydrophobicContact CG2-CB 3.5Å; V940-A944 VanDerWaalsContact CG2-CB 3.5Å; A941-A944 HydrophobicContact CB-CB 4.25Å; A941-A944 WeakPolarHBondContact O-CB 3.4Å; A941-A944 PolarHBondContact O-N 3.15Å; A944-T948 HydrophobicContact CB-CG2 4.21Å; A944-T995 HydrophobicContact CB-CG2 4.25Å; A944-N998 WeakPolarHBondContact O-CA 3.37Å; A944-L999 HydrophobicContact CB-CD1 4.01Å; A944-L999 HydrophobicContact CB-CG 4.28Å; A944-L999 PolarHBondContact O-N 2.97Å
945V84.5Confident86.2Confident93 Ų9350.6 Ų50.656%0.56427%0.274SS*.PPolyproline II helixtrans-67.8157.5176.1-64.40000111.4D943 G947 T948 T995 N998D943-V945 PolarHBondContact O-N 2.79Å; V945-G947 PolarHBondContact O-N 2.8Å; V945-T948 WeakPolarHBondContact O-CB 3.35Å; V945-T948 PolarHBondContact O-N 2.78Å; V945-T948 PolarHBondContact O-OG1 2.92Å; V945-T995 PolarHBondContact O-OG1 3.35Å; V945-N998 WeakPolarHBondContact CA-OD1 3.02Å
946K83.9Confident86.2Confident143 Ų14351.6 Ų51.662%0.62228%0.277SS*.THydrogen-bonded Turntrans-52.4135.6173.2175.8176.2-178.7-1800111R996 N998K946-R996 VanDerWaalsContact CD-O 3.24Å; K946-R996 WeakPolarHBondContact CD-O 3.45Å; K946-R996 VanDerWaalsContact CE-O 3.27Å; K946-R996 WeakPolarHBondContact CE-O 3.5Å; K946-R996 WeakPolarHBondContact CG-O 3.44Å; K946-N998 WeakPolarHBondContact CB-OD1 3.19Å; K946-N998 PolarHBondContact N-OD1 3.35Å
947G82.6Confident86.1Confident44 Ų4452.2 Ų52.245%0.45428%0.281SS..THydrogen-bonded Turntrans85.79.818000000114.6V945 P949 T995V945-G947 PolarHBondContact O-N 2.8Å; G947-P949 WeakPolarHBondContact O-CD 3.41Å; G947-T995 PolarHBondContact N-O 2.86Å; G947-T995 PolarHBondContact N-OG1 3.48Å; G947-T995 VanDerWaalsContact N-OG1 3.08Å
948T84.3Confident86Confident40 Ų4048.9 Ų48.925%0.24528%0.279CS..  trans-70.2123.2175.6-610000109.5A944 V945 V994 T995A944-T948 HydrophobicContact CB-CG2 4.21Å; V945-T948 WeakPolarHBondContact O-CB 3.35Å; V945-T948 PolarHBondContact O-N 2.78Å; V945-T948 PolarHBondContact O-OG1 2.92Å; T948-V994 CarbonylContact O-C 3.57Å; T948-V994 VanDerWaalsContact O-CA 3.29Å; T948-V994 WeakPolarHBondContact O-CA 3.42Å; T948-T995 PolarHBondContact N-OG1 2.83Å; T948-T995 PolarHBondContact O-N 2.84Å
949P85.6Confident86Confident76 Ų7648.9 Ų48.949%0.49428%0.279SS..EExtended strand (participates in β ladder)trans-75.7136.4177.731.3-34.2000111.2G947 R992G947-P949 WeakPolarHBondContact O-CD 3.41Å; P949-R992 HydrophobicContact CB-CG 4.27Å
950I86.9Confident85.7Confident12 Ų1247.8 Ų47.86%0.06228%0.275CS..EExtended strand (participates in β ladder)trans-110.6-52.2-173.3-59.2175.3000110.9V940 F984 V993 T995 I1029V940-I950 HydrophobicContact CB-CD1 4.35Å; V940-I950 HydrophobicContact CB-CG1 4.27Å; V940-I950 HydrophobicContact CG2-CD1 4.3Å; V940-I950 HydrophobicContact CG2-CG1 4.19Å; I950-F984 HydrophobicContact CD1-CD1 3.26Å; I950-F984 HydrophobicContact CD1-CE1 3.33Å; I950-F984 HydrophobicContact CD1-CG 4.32Å; I950-F984 HydrophobicContact CD1-CZ 4.44Å; I950-V993 WeakPolarHBondContact CB-O 3.42Å; I950-V993 HydrophobicContact CD1-CG1 4.49Å; I950-V993 PolarHBondContact N-O 3.49Å; I950-T995 HydrophobicContact CD1-CG2 4.03Å; I950-T995 HydrophobicContact CG1-CG2 4.49Å; I950-I1029 HydrophobicContact CD1-CD1 4.03Å; I950-I1029 HydrophobicContact CD1-CG2 4.25Å; I950-I1029 HydrophobicContact CG2-CD1 4.4Å; I950-I1029 HydrophobicContact CG2-CG1 4.12Å; I950-I1029 HydrophobicContact CG2-CG2 3.93Å
951T88.3Confident85.4Confident29 Ų2953.3 Ų53.318%0.17831%0.31CS..EExtended strand (participates in β ladder)trans-161.5171.4177.9-173.90000108.9K937 V993 V1027K937-T951 PolarHBondContact O-OG1 3.2Å; T951-V993 HydrophobicContact CG2-CB 4.02Å; T951-V993 HydrophobicContact CG2-CG2 3.99Å; T951-V993 WeakPolarHBondContact O-CB 3.13Å; T951-V993 PolarHBondContact O-N 3.06Å; T951-V1027 HydrophobicContact CG2-CG1 3.56Å
952T90.1Very high85.3Confident78 Ų7856.5 Ų56.548%0.47934%0.344SS..EExtended strand (participates in β ladder)trans-120.5134.1172.3-50.70000109.5S990 G991T952-S990 WeakPolarHBondContact CG2-O 3.47Å; T952-G991 WeakPolarHBondContact CA-O 3.29Å
953V92.3Very high85.2Confident1 Ų158.9 Ų58.91%0.00636%0.355CS..  trans-97.9156.1170.5-59.70000109.9F931 Y936 Y970 V986 G991 V993 V1011 V1027F931-V953 HydrophobicContact CD1-CB 4.37Å; F931-V953 HydrophobicContact CE1-CB 3.97Å; F931-V953 HydrophobicContact CE1-CG2 3.99Å; Y936-V953 HydrophobicContact CD1-CG1 4.14Å; Y936-V953 HydrophobicContact CD2-CB 4.36Å; Y936-V953 HydrophobicContact CD2-CG1 3.71Å; Y936-V953 HydrophobicContact CE1-CB 4.37Å; Y936-V953 HydrophobicContact CE1-CG1 4.4Å; Y936-V953 HydrophobicContact CE2-CB 4.11Å; Y936-V953 HydrophobicContact CE2-CG1 3.98Å; Y936-V953 HydrophobicContact CG-CG1 3.81Å; V953-Y970 HydrophobicContact CG2-CD1 3.79Å; V953-Y970 HydrophobicContact CG2-CE1 3.98Å; V953-Y970 HydrophobicContact CG2-CG 4.34Å; V953-V986 HydrophobicContact CG2-CG2 4.31Å; V953-G991 WeakPolarHBondContact CG2-O 3.48Å; V953-G991 PolarHBondContact N-O 3.4Å; V953-V993 HydrophobicContact CG1-CG2 4.18Å; V953-V1011 HydrophobicContact CG2-CG1 3.96Å; V953-V1027 HydrophobicContact CG1-CG2 3.71Å
954Y92.8Very high85.3Confident119 Ų11957.9 Ų57.947%0.46735%0.354SS..  trans-149.8125.3-177.1-178.5-103.6000110.8S932 Y936 E956S932-Y954 PolarHBondContact N-O 3.1Å; S932-Y954 PolarHBondContact OG-O 3.13Å; Y936-Y954 PolarHBondContact OH-N 2.81Å; Y936-Y954 PolarHBondContact OH-O 2.88Å; Y954-E956 HydrophobicContact CD1-CG 4.44Å; Y954-E956 HydrophobicContact CE1-CG 3.46Å; Y954-E956 VanDerWaalsContact CE1-CG 3.46Å; Y954-E956 WeakPolarHBondContact CE1-OE1 3.49Å; Y954-E956 VanDerWaalsContact CZ-OE1 3.3Å; Y954-E956 WeakPolarHBondContact OH-CG 3.47Å; Y954-E956 PolarHBondContact OH-OE1 2.95Å
955A92.2Very high85.3Confident4 Ų457.8 Ų57.83%0.03335%0.354CS..EExtended strand (participates in β ladder)trans-129149.2174.600000110.7P929 V930 F931 V968 Y970 A1013P929-A955 HydrophobicContact CB-CB 4.45Å; V930-A955 CarbonylContact O-C 3.51Å; V930-A955 WeakPolarHBondContact O-CA 3.38Å; V930-A955 WeakPolarHBondContact O-CB 3.49Å; F931-A955 HydrophobicContact CB-CB 4.5Å; F931-A955 HydrophobicContact CD1-CB 3.92Å; F931-A955 HydrophobicContact CD2-CB 4.42Å; F931-A955 HydrophobicContact CE1-CB 4.23Å; F931-A955 HydrophobicContact CG-CB 4.03Å; A955-V968 HydrophobicContact CB-CG1 4.1Å; A955-Y970 HydrophobicContact CB-CE1 4.04Å; A955-Y970 PolarHBondContact N-OH 2.78Å; A955-Y970 PolarHBondContact O-OH 3.27Å; A955-A1013 HydrophobicContact CB-CB 3.7Å
956E89.8Confident85.3Confident117 Ų11754.5 Ų54.555%0.54734%0.335SS..EExtended strand (participates in β ladder)trans-121.9139.6178.2-71177.9161.500109.4P929 V930 Y954P929-E956 CarbonylContact C-O 3.57Å; V930-E956 PolarHBondContact N-O 3.33Å; V930-E956 PolarHBondContact O-N 2.88Å; Y954-E956 HydrophobicContact CD1-CG 4.44Å; Y954-E956 HydrophobicContact CE1-CG 3.46Å; Y954-E956 VanDerWaalsContact CE1-CG 3.46Å; Y954-E956 WeakPolarHBondContact CE1-OE1 3.49Å; Y954-E956 VanDerWaalsContact CZ-OE1 3.3Å; Y954-E956 WeakPolarHBondContact OH-CG 3.47Å; Y954-E956 PolarHBondContact OH-OE1 2.95Å
957D87.7Confident85.5Confident24 Ų2453.9 Ų53.913%0.12833%0.328CS..  trans-100.6143.2168.8-148-53.6000109.8Y927 P929 D959 V968Y927-D957 WeakPolarHBondContact CB-OD1 3.48Å; P929-D957 WeakPolarHBondContact CA-OD2 3.33Å; P929-D957 WeakPolarHBondContact CD-OD2 3.38Å; P929-D957 WeakPolarHBondContact CG-OD2 3.41Å; D957-D959 PolarHBondContact OD1-N 2.8Å; D957-D959 VanDerWaalsContact OD1-N 3.15Å; D957-V968 HydrophobicContact CB-CG2 3.93Å
958A84.1Confident85.9Confident67 Ų6753 Ų5355%0.55431%0.314SS*.  trans-90.3-10-17900000112.9Y927Y927-A958 HydrophobicContact CD1-CB 3.75Å; Y927-A958 HydrophobicContact CD2-CB 4.23Å; Y927-A958 HydrophobicContact CE1-CB 4.37Å; Y927-A958 HydrophobicContact CG-CB 3.7Å
959D83.6Confident86.3Confident4 Ų454.3 Ų54.32%0.02132%0.315CS..SBendtrans-58.1155.5172.9-71.9-40.3000112.1N925 Y927 D957 A965 S966N925-D959 PolarHBondContact OD1-OD2 2.94Å; Y927-D959 WeakPolarHBondContact CD2-OD1 3.26Å; D957-D959 PolarHBondContact OD1-N 2.8Å; D957-D959 VanDerWaalsContact OD1-N 3.15Å; D959-A965 HydrophobicContact CB-CB 3.84Å; D959-A965 WeakPolarHBondContact OD2-CB 3.45Å; D959-S966 VanDerWaalsContact O-CB 3.23Å; D959-S966 WeakPolarHBondContact O-CB 3.31Å
960P79.3Confident86.7Confident19 Ų1951.3 Ų51.312%0.12329%0.294CS..PPolyproline II helixtrans-52.2129.2-177.4-28.134.7000113.6Y887 E888 G962 M963 S966Y887-P960 HydrophobicContact CD1-CG 4.17Å; Y887-P960 HydrophobicContact CE1-CG 3.99Å; E888-P960 WeakPolarHBondContact OE1-CD 3.37Å; P960-G962 PolarHBondContact O-N 3.43Å; P960-M963 HydrophobicContact CB-CG 4.2Å; P960-M963 WeakPolarHBondContact O-CG 2.87Å; P960-M963 PolarHBondContact O-N 2.93Å; P960-S966 VanDerWaalsContact O-CB 3.29Å; P960-S966 WeakPolarHBondContact O-CB 3.41Å; P960-S966 PolarHBondContact O-OG 2.88Å
961P77.8Confident87.1Confident116 Ų11656.1 Ų56.175%0.75331%0.311SS*.THydrogen-bonded Turntrans-66.1127.8-171.524.6-33.3000112S966P961-S966 WeakPolarHBondContact CA-OG 3.31Å
962G78.6Confident87.3Confident80 Ų8055.6 Ų55.683%0.82531%0.308SS*.THydrogen-bonded Turntrans105.3-10.4178.500000114.8P960 S966P960-G962 PolarHBondContact O-N 3.43Å; G962-S966 PolarHBondContact N-OG 2.92Å; G962-S966 VanDerWaalsContact N-OG 3.09Å
963M81.1Confident87.3Confident62 Ų6253.1 Ų53.131%0.30529%0.292SS..SBendtrans-75.7156.8169.2-62-77.3-168.200111.1D923 P960 A965 S966 R967D923-M963 WeakPolarHBondContact OD2-CE 3.07Å; P960-M963 HydrophobicContact CB-CG 4.2Å; P960-M963 WeakPolarHBondContact O-CG 2.87Å; P960-M963 PolarHBondContact O-N 2.93Å; M963-A965 HydrophobicContact CB-CB 4.21Å; M963-A965 PolarHBondContact O-N 3.21Å; M963-S966 PolarHBondContact N-OG 2.89Å; M963-S966 PolarHBondContact O-N 3.32Å; M963-S966 PolarHBondContact O-OG 2.86Å; M963-R967 PolarHBondContact O-N 3.43Å
964P83.3Confident86.8Confident79 Ų7958.2 Ų58.251%0.51332%0.319SS..SBendtrans-55.3-34.7167.7-24.534.7000113S966 R967 D1016P964-S966 PolarHBondContact O-N 2.89Å; P964-R967 PolarHBondContact O-N 2.86Å; P964-D1016 HydrophobicContact CB-CB 3.92Å; P964-D1016 WeakPolarHBondContact CB-O 3.14Å; P964-D1016 CarbonylContact O-C 3.52Å; P964-D1016 WeakPolarHBondContact O-CA 3.23Å; P964-D1016 WeakPolarHBondContact O-CB 3.32Å; P964-D1016 PolarHBondContact O-N 3.3Å
965A82.2Confident86.2Confident7 Ų758.2 Ų58.26%0.05833%0.331CS..THydrogen-bonded Turntrans-57.4-41.5175.400000113N925 D959 M963 R967 D1015N925-A965 HydrophobicContact CB-CB 4.17Å; N925-A965 VanDerWaalsContact OD1-CA 3.27Å; N925-A965 WeakPolarHBondContact OD1-CA 3.47Å; N925-A965 WeakPolarHBondContact OD1-CB 3.23Å; D959-A965 HydrophobicContact CB-CB 3.84Å; D959-A965 WeakPolarHBondContact OD2-CB 3.45Å; M963-A965 HydrophobicContact CB-CB 4.21Å; M963-A965 PolarHBondContact O-N 3.21Å; A965-R967 PolarHBondContact O-N 3.29Å; A965-D1015 WeakPolarHBondContact O-CB 3.12Å
966S85Confident85.7Confident23 Ų2363.2 Ų63.216%0.16135%0.353CS..THydrogen-bonded Turntrans-85.8-1.8179.260.30000115.4D959 P960 P961 G962 M963 P964 V968D959-S966 VanDerWaalsContact O-CB 3.23Å; D959-S966 WeakPolarHBondContact O-CB 3.31Å; P960-S966 VanDerWaalsContact O-CB 3.29Å; P960-S966 WeakPolarHBondContact O-CB 3.41Å; P960-S966 PolarHBondContact O-OG 2.88Å; P961-S966 WeakPolarHBondContact CA-OG 3.31Å; G962-S966 PolarHBondContact N-OG 2.92Å; G962-S966 VanDerWaalsContact N-OG 3.09Å; M963-S966 PolarHBondContact N-OG 2.89Å; M963-S966 PolarHBondContact O-N 3.32Å; M963-S966 PolarHBondContact O-OG 2.86Å; P964-S966 PolarHBondContact O-N 2.89Å; S966-V968 PolarHBondContact O-N 2.95Å
967R87.8Confident85.6Confident130 Ų13061 Ų6149%0.49134%0.342SS..  trans-86.498.7-175.4-172.6-179.2176.7-168-2.6111.6M963 P964 A965 D989 D1015 D1016M963-R967 PolarHBondContact O-N 3.43Å; P964-R967 PolarHBondContact O-N 2.86Å; A965-R967 PolarHBondContact O-N 3.29Å; R967-D989 IonicContact NH2-OD1 2.89Å; R967-D989 PolarHBondContact NH2-OD1 2.95Å; R967-D1015 WeakPolarHBondContact O-CA 3.21Å; R967-D1016 IonicContact NH1-OD2 3.35Å
968V90.6Very high85.5Confident26 Ų2664 Ų6416%0.15836%0.363CS..  trans-77.2124.6178.5-1730000112.5P929 A955 D957 S966 Y970 A1013P929-V968 HydrophobicContact CB-CG1 4.07Å; P929-V968 HydrophobicContact CB-CG2 4.01Å; P929-V968 HydrophobicContact CG-CG2 4.3Å; A955-V968 HydrophobicContact CB-CG1 4.1Å; D957-V968 HydrophobicContact CB-CG2 3.93Å; S966-V968 PolarHBondContact O-N 2.95Å; V968-Y970 HydrophobicContact CG1-CE1 4.1Å; V968-Y970 HydrophobicContact CG1-CE2 4.32Å; V968-A1013 HydrophobicContact CG1-CB 3.93Å
969R93.2Very high85.8Confident67 Ų6766.5 Ų66.525%0.25336%0.359SS..EExtended strand (participates in β ladder)trans-119.1154.9167.7-67.7-169.1-68.3155-6.2111.5E988 A1013 F1014 D1016R969-E988 WeakPolarHBondContact CA-O 3.31Å; R969-E988 HydrophobicContact CB-CG 4.08Å; R969-E988 WeakPolarHBondContact CD-OE1 3.2Å; R969-E988 HydrophobicContact CG-CG 4.32Å; R969-E988 IonicContact CZ-OE1 3.09Å; R969-E988 IonicContact NE-OE1 3.27Å; R969-E988 IonicContact NH1-OE1 3.39Å; R969-E988 PolarHBondContact NH1-OE1 3.14Å; R969-A1013 CarbonylContact O-C 3.57Å; R969-A1013 WeakPolarHBondContact O-CA 3.28Å; R969-F1014 HydrophobicContact CB-CE1 4.02Å; R969-F1014 HydrophobicContact CB-CE2 3.95Å; R969-F1014 HydrophobicContact CB-CZ 3.67Å; R969-F1014 PolarHBondContact N-O 2.76Å; R969-F1014 WeakPolarHBondContact O-CD1 3.44Å; R969-F1014 PolarHBondContact O-N 2.65Å; R969-D1016 IonicContact CZ-OD1 3.1Å; R969-D1016 IonicContact CZ-OD2 2.75Å; R969-D1016 IonicContact NE-OD1 3.19Å; R969-D1016 PolarHBondContact NE-OD1 3.14Å; R969-D1016 IonicContact NE-OD2 3.61Å; R969-D1016 PolarHBondContact NE-OD2 3.4Å; R969-D1016 IonicContact NH2-OD1 2.61Å; R969-D1016 PolarHBondContact NH2-OD1 3.42Å; R969-D1016 IonicContact NH2-OD2 2.87Å
970Y94.9Very high86.1Confident13 Ų1367 Ų675%0.05136%0.362CS..EExtended strand (participates in β ladder)trans-115.7142.2-177.1-55-83.2000111.9F931 V953 A955 V968 E988 G991 V1011 V1012 A1013F931-Y970 HydrophobicContact CE1-CD1 4.06Å; F931-Y970 AromaticContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CE1-CE1 3.84Å; F931-Y970 HydrophobicContact CZ-CD1 4.22Å; F931-Y970 HydrophobicContact CZ-CE1 4.3Å; V953-Y970 HydrophobicContact CG2-CD1 3.79Å; V953-Y970 HydrophobicContact CG2-CE1 3.98Å; V953-Y970 HydrophobicContact CG2-CG 4.34Å; A955-Y970 HydrophobicContact CB-CE1 4.04Å; A955-Y970 PolarHBondContact N-OH 2.78Å; A955-Y970 PolarHBondContact O-OH 3.27Å; V968-Y970 HydrophobicContact CG1-CE1 4.1Å; V968-Y970 HydrophobicContact CG1-CE2 4.32Å; Y970-E988 WeakPolarHBondContact CD2-O 3.28Å; Y970-E988 PolarHBondContact N-O 2.87Å; Y970-E988 WeakPolarHBondContact O-CA 3.49Å; Y970-G991 VanDerWaalsContact CD2-CA 3.47Å; Y970-V1011 HydrophobicContact CD1-CG1 4.29Å; Y970-V1012 WeakPolarHBondContact CA-O 3.38Å; Y970-A1013 HydrophobicContact CD1-CB 4.02Å; Y970-A1013 HydrophobicContact CE1-CB 3.95Å
971R93.9Very high86.6Confident113 Ų11366.2 Ų66.243%0.42636%0.358SS..EExtended strand (participates in β ladder)trans-144.7158169.265.1-175.4176.578.6-0.1111.2V1011 V1012 F1014R971-V1011 WeakPolarHBondContact O-CA 3.06Å; R971-V1012 HydrophobicContact CG-CB 4.05Å; R971-V1012 PolarHBondContact N-O 3.38Å; R971-V1012 PolarHBondContact O-N 3.13Å; R971-F1014 HydrophobicContact CB-CE1 3.84Å; R971-F1014 HydrophobicContact CG-CD1 3.88Å; R971-F1014 HydrophobicContact CG-CE1 3.53Å
972V92.9Very high87.1Confident19 Ų1963.3 Ų63.312%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-79.9136.2170.5178.10000109.6A981 V986 L1009V972-A981 HydrophobicContact CG1-CB 3.59Å; V972-V986 HydrophobicContact CG2-CB 4.27Å; V972-V986 HydrophobicContact CG2-CG1 3.93Å; V972-L1009 HydrophobicContact CG1-CD1 3.5Å; V972-L1009 VanDerWaalsContact CG1-CD1 3.5Å; V972-L1009 HydrophobicContact CG1-CG 4.2Å; V972-L1009 HydrophobicContact CG2-CD1 4.24Å; V972-L1009 HydrophobicContact CG2-CD2 4.24Å; V972-L1009 HydrophobicContact CG2-CG 4.43Å
973D89.6Confident87.8Confident25 Ų2560 Ų6013%0.13430%0.303CS..EExtended strand (participates in β ladder)trans-83.2108.9163.917611.9000109.1V975 Q976 V1010 V1012D973-V975 VanDerWaalsContact C-N 3.35Å; D973-V975 WeakPolarHBondContact OD1-CB 3.5Å; D973-V975 PolarHBondContact OD1-N 3.25Å; D973-Q976 PolarHBondContact OD2-NE2 3.29Å; D973-V1010 HydrophobicContact CB-CB 4.09Å; D973-V1010 HydrophobicContact CB-CG1 3.95Å; D973-V1010 PolarHBondContact N-O 3.3Å; D973-V1012 HydrophobicContact CB-CG2 3.86Å
974D83.1Confident88.4Confident109 Ų10957 Ų5758%0.58329%0.289SS*.THydrogen-bonded Turntrans-86.1-4.3-177.465.9-14.7000113.7P978 A981D974-P978 WeakPolarHBondContact O-CA 3.21Å; D974-A981 HydrophobicContact CB-CB 3.89Å
975V79.8Confident88.9Confident118 Ų11855.5 Ų55.572%0.71528%0.277SS*.THydrogen-bonded Turntrans-80.6-45.1-176.7-175.70000111.5D973D973-V975 VanDerWaalsContact C-N 3.35Å; D973-V975 WeakPolarHBondContact OD1-CB 3.5Å; D973-V975 PolarHBondContact OD1-N 3.25Å
976Q82.2Confident89.5Confident109 Ų10955.6 Ų55.651%0.50928%0.276SS..THydrogen-bonded Turntrans-73.5-41-173.4-72-176.362.200113.3D973 V1010D973-Q976 PolarHBondContact OD2-NE2 3.29Å; Q976-V1010 HydrophobicContact CB-CG2 4.4Å
977F87Confident89.9Confident72 Ų7257.6 Ų57.632%0.31628%0.283SS..  trans-137.376-176.6-60.7-74.2000110.7Y979 P980 A981 K1008 V1010F977-Y979 VanDerWaalsContact C-N 3.33Å; F977-Y979 PolarHBondContact O-N 2.88Å; F977-P980 HydrophobicContact CB-CB 4.26Å; F977-P980 HydrophobicContact CB-CG 3.94Å; F977-P980 WeakPolarHBondContact O-CD 3.42Å; F977-A981 WeakPolarHBondContact O-CB 3.42Å; F977-A981 PolarHBondContact O-N 3.42Å; F977-K1008 WeakPolarHBondContact CB-O 3.42Å; F977-K1008 HydrophobicContact CD2-CB 4.23Å; F977-K1008 HydrophobicContact CE1-CB 4.38Å; F977-K1008 HydrophobicContact CE2-CB 4.05Å; F977-K1008 HydrophobicContact CG-CB 4.48Å; F977-K1008 WeakPolarHBondContact CG-O 3.09Å; F977-K1008 HydrophobicContact CZ-CB 4.13Å; F977-K1008 HydrophobicContact CZ-CD 4.12Å; F977-V1010 HydrophobicContact CD2-CG2 3.9Å; F977-V1010 HydrophobicContact CE2-CG2 3.91Å
978P86Confident90.1Very high87 Ų8755.7 Ų55.757%0.56528%0.28SS*.Hα-helixtrans-63.6-34.3-169.720.7-32.1000113.6D974 S982D974-P978 WeakPolarHBondContact O-CA 3.21Å; P978-S982 WeakPolarHBondContact O-CB 3.45Å; P978-S982 PolarHBondContact O-N 2.85Å
979Y90Very high90.1Very high118 Ų11859.7 Ų59.746%0.46330%0.3SS..Hα-helixtrans-68.2-55.9177.5-177.9-98.2000112.3F977 A981 S982 I983 E1001 F1007F977-Y979 VanDerWaalsContact C-N 3.33Å; F977-Y979 PolarHBondContact O-N 2.88Å; Y979-A981 PolarHBondContact O-N 3.42Å; Y979-S982 WeakPolarHBondContact O-CA 3.4Å; Y979-S982 WeakPolarHBondContact O-CB 3.39Å; Y979-S982 PolarHBondContact O-N 2.8Å; Y979-S982 PolarHBondContact O-OG 2.89Å; Y979-I983 HydrophobicContact CD1-CD1 4.28Å; Y979-I983 HydrophobicContact CE1-CD1 3.78Å; Y979-I983 PolarHBondContact O-N 2.83Å; Y979-E1001 PolarHBondContact OH-OE1 2.97Å; Y979-E1001 PolarHBondContact OH-OE2 3.1Å; Y979-F1007 AromaticContact CD1-CE1 3.95Å; Y979-F1007 HydrophobicContact CD1-CE1 3.95Å; Y979-F1007 AromaticContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CZ 4.1Å
980P90.6Very high89.9Confident14 Ų1459.2 Ų59.29%0.09131%0.307CS..Hα-helixtrans-50.5-41.7170.4-31.137.1000114.1F977 S982 I983 F984 F1007 K1008 L1009F977-P980 HydrophobicContact CB-CB 4.26Å; F977-P980 HydrophobicContact CB-CG 3.94Å; F977-P980 WeakPolarHBondContact O-CD 3.42Å; P980-S982 PolarHBondContact O-N 2.93Å; P980-I983 WeakPolarHBondContact O-CG1 3.06Å; P980-I983 PolarHBondContact O-N 3.17Å; P980-F984 HydrophobicContact CB-CD2 4.4Å; P980-F984 WeakPolarHBondContact O-CD2 3.27Å; P980-F984 PolarHBondContact O-N 2.87Å; P980-F1007 HydrophobicContact CB-CB 4.34Å; P980-F1007 HydrophobicContact CG-CB 4.22Å; P980-F1007 HydrophobicContact CG-CD1 3.9Å; P980-F1007 HydrophobicContact CG-CG 4.44Å; P980-K1008 WeakPolarHBondContact CB-O 3.47Å; P980-L1009 HydrophobicContact CB-CD1 4.28Å
981A89Confident89.7Confident4 Ų458.6 Ų58.63%0.03331%0.305CS..Hα-helixtrans-67.5-19.4177.100000114V972 D974 F977 Y979 R996 L1009V972-A981 HydrophobicContact CG1-CB 3.59Å; D974-A981 HydrophobicContact CB-CB 3.89Å; F977-A981 WeakPolarHBondContact O-CB 3.42Å; F977-A981 PolarHBondContact O-N 3.42Å; Y979-A981 PolarHBondContact O-N 3.42Å; A981-R996 PolarHBondContact O-NH1 3.1Å; A981-R996 VanDerWaalsContact O-NH1 3.15Å; A981-L1009 HydrophobicContact CB-CD1 4.45Å
982S89.4Confident89.6Confident55 Ų5558.2 Ų58.239%0.38530%0.303SS..Hα-helixtrans-82-24.6174.2760000113.3P978 Y979 P980P978-S982 WeakPolarHBondContact O-CB 3.45Å; P978-S982 PolarHBondContact O-N 2.85Å; Y979-S982 WeakPolarHBondContact O-CA 3.4Å; Y979-S982 WeakPolarHBondContact O-CB 3.39Å; Y979-S982 PolarHBondContact O-N 2.8Å; Y979-S982 PolarHBondContact O-OG 2.89Å; P980-S982 PolarHBondContact O-N 2.93Å
983I92.4Very high89.6Confident9 Ų957.3 Ų57.35%0.04630%0.298CS..Hα-helixtrans-110.2-18.4-17562.8172.1000114.2Y979 P980 R996 V997 L999 E1001 F1007Y979-I983 HydrophobicContact CD1-CD1 4.28Å; Y979-I983 HydrophobicContact CE1-CD1 3.78Å; Y979-I983 PolarHBondContact O-N 2.83Å; P980-I983 WeakPolarHBondContact O-CG1 3.06Å; P980-I983 PolarHBondContact O-N 3.17Å; I983-R996 WeakPolarHBondContact O-CB 3.48Å; I983-R996 PolarHBondContact O-N 2.69Å; I983-V997 HydrophobicContact CB-CG2 3.94Å; I983-V997 HydrophobicContact CG2-CG2 3.82Å; I983-L999 HydrophobicContact CB-CD2 4.16Å; I983-L999 HydrophobicContact CD1-CD2 4.34Å; I983-E1001 HydrophobicContact CD1-CG 4.46Å; I983-F1007 HydrophobicContact CD1-CD2 4.38Å; I983-F1007 HydrophobicContact CD1-CE1 4.17Å; I983-F1007 HydrophobicContact CD1-CE2 3.93Å; I983-F1007 HydrophobicContact CD1-CZ 3.83Å
984F94.5Very high89.7Confident0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-118.4153.8173.5-56.9-65.4000110.9V940 I950 P980 V994 T995 L999 F1007 L1009 I1029V940-F984 HydrophobicContact CG1-CE1 4.37Å; V940-F984 HydrophobicContact CG1-CZ 4.39Å; I950-F984 HydrophobicContact CD1-CD1 3.26Å; I950-F984 HydrophobicContact CD1-CE1 3.33Å; I950-F984 HydrophobicContact CD1-CG 4.32Å; I950-F984 HydrophobicContact CD1-CZ 4.44Å; P980-F984 HydrophobicContact CB-CD2 4.4Å; P980-F984 WeakPolarHBondContact O-CD2 3.27Å; P980-F984 PolarHBondContact O-N 2.87Å; F984-V994 CarbonylContact C-O 3.53Å; F984-V994 WeakPolarHBondContact CA-O 3.36Å; F984-T995 HydrophobicContact CD1-CG2 4.19Å; F984-T995 HydrophobicContact CE1-CG2 4.03Å; F984-L999 HydrophobicContact CE1-CD1 4.03Å; F984-L999 HydrophobicContact CE1-CD2 4.35Å; F984-L999 HydrophobicContact CZ-CD1 4.3Å; F984-F1007 HydrophobicContact CE2-CB 3.84Å; F984-F1007 AromaticContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CD2 3.43Å; F984-F1007 VanDerWaalsContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CE2 4.1Å; F984-F1007 AromaticContact CE2-CG 3.73Å; F984-F1007 HydrophobicContact CE2-CG 3.73Å; F984-F1007 AromaticContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CE2 4.13Å; F984-F1007 HydrophobicContact CZ-CG 4.43Å; F984-L1009 HydrophobicContact CB-CD1 4.18Å; F984-L1009 HydrophobicContact CB-CD2 3.9Å; F984-I1029 HydrophobicContact CB-CD1 4.37Å; F984-I1029 HydrophobicContact CD1-CD1 3.95Å; F984-I1029 HydrophobicContact CD2-CD1 3.66Å; F984-I1029 HydrophobicContact CE1-CD1 4.13Å; F984-I1029 HydrophobicContact CE1-CG2 4.25Å; F984-I1029 HydrophobicContact CE2-CD1 3.88Å; F984-I1029 HydrophobicContact CE2-CG2 4.48Å; F984-I1029 HydrophobicContact CG-CD1 3.71Å; F984-I1029 HydrophobicContact CZ-CD1 4.11Å; F984-I1029 HydrophobicContact CZ-CG2 3.95Å
985D93.3Very high90Very high48 Ų4851.7 Ų51.726%0.25727%0.268SS..EExtended strand (participates in β ladder)trans-135.9167.6175.4-143.5-14.7000110.7V993 V994 R996D985-V993 CarbonylContact O-C 3.02Å; D985-V993 WeakPolarHBondContact O-CA 3.24Å; D985-V994 HydrophobicContact CB-CG2 4.08Å; D985-V994 PolarHBondContact N-O 3.42Å; D985-V994 PolarHBondContact O-N 3.47Å; D985-R996 HydrophobicContact CB-CB 4.28Å; D985-R996 IonicContact OD1-CZ 3.87Å; D985-R996 IonicContact OD1-NH2 2.63Å; D985-R996 PolarHBondContact OD1-NH2 2.68Å; D985-R996 IonicContact OD2-CZ 2.73Å; D985-R996 VanDerWaalsContact OD2-CZ 3.26Å; D985-R996 IonicContact OD2-NE 3.48Å; D985-R996 PolarHBondContact OD2-NE 3.25Å; D985-R996 IonicContact OD2-NH2 3.52Å; D985-R996 PolarHBondContact OD2-NH2 3.47Å
986V94.6Very high90.5Very high9 Ų950.8 Ų50.86%0.05525%0.252CS..EExtended strand (participates in β ladder)trans-122.1133.716769.50000109.1V953 V972 E988 R992 V993 V1011V953-V986 HydrophobicContact CG2-CG2 4.31Å; V972-V986 HydrophobicContact CG2-CB 4.27Å; V972-V986 HydrophobicContact CG2-CG1 3.93Å; V986-E988 PolarHBondContact O-N 3.48Å; V986-R992 WeakPolarHBondContact CA-O 3.48Å; V986-V993 HydrophobicContact CG2-CG2 4.23Å; V986-V1011 HydrophobicContact CB-CG1 4.44Å; V986-V1011 HydrophobicContact CG1-CG1 4.11Å; V986-V1011 HydrophobicContact CG2-CG1 4.26Å
987E93.2Very high90.8Very high64 Ų6448.3 Ų48.330%0.29924%0.244SC..  trans-68.6127.5171.2-78.1172.7-161.700110.2D989 S990 G991 R992E987-D989 PolarHBondContact O-N 2.93Å; E987-S990 WeakPolarHBondContact CB-OG 3.3Å; E987-S990 PolarHBondContact O-N 2.75Å; E987-S990 PolarHBondContact OE2-OG 3.31Å; E987-G991 PolarHBondContact O-N 2.85Å; E987-R992 HydrophobicContact CB-CB 4.32Å; E987-R992 PolarHBondContact N-O 2.58Å; E987-R992 IonicContact OE1-CZ 2.79Å; E987-R992 IonicContact OE1-NE 3.27Å; E987-R992 PolarHBondContact OE1-NE 3.43Å; E987-R992 VanDerWaalsContact OE1-NE 3.09Å; E987-R992 IonicContact OE1-NH2 3.48Å; E987-R992 PolarHBondContact OE1-NH2 3.49Å; E987-R992 IonicContact OE2-CZ 2.81Å; E987-R992 IonicContact OE2-NE 3.83Å; E987-R992 PolarHBondContact OE2-NE 3.05Å; E987-R992 IonicContact OE2-NH2 3.66Å; E987-R992 PolarHBondContact OE2-NH2 3.31Å
988E92.5Very high90.7Very high91 Ų9150.2 Ų50.243%0.42526%0.258SS..THydrogen-bonded Turntrans-61.1-43.7-165.5-170.8171.8-179.900114R969 Y970 V986R969-E988 WeakPolarHBondContact CA-O 3.31Å; R969-E988 HydrophobicContact CB-CG 4.08Å; R969-E988 WeakPolarHBondContact CD-OE1 3.2Å; R969-E988 HydrophobicContact CG-CG 4.32Å; R969-E988 IonicContact CZ-OE1 3.09Å; R969-E988 IonicContact NE-OE1 3.27Å; R969-E988 IonicContact NH1-OE1 3.39Å; R969-E988 PolarHBondContact NH1-OE1 3.14Å; Y970-E988 WeakPolarHBondContact CD2-O 3.28Å; Y970-E988 PolarHBondContact N-O 2.87Å; Y970-E988 WeakPolarHBondContact O-CA 3.49Å; V986-E988 PolarHBondContact O-N 3.48Å
989D90.4Very high90.7Very high110 Ų11046.6 Ų46.659%0.58823%0.233SC*.THydrogen-bonded Turntrans-93.7-27.6-179.6-58.1-64.8000113.2R967 E987R967-D989 IonicContact NH2-OD1 2.89Å; R967-D989 PolarHBondContact NH2-OD1 2.95Å; E987-D989 PolarHBondContact O-N 2.93Å
990S89.6Confident90.4Very high56 Ų5648.2 Ų48.239%0.39225%0.25SS..THydrogen-bonded Turntrans-94.3-15.9-171800000114T952 E987 R992T952-S990 WeakPolarHBondContact CG2-O 3.47Å; E987-S990 WeakPolarHBondContact CB-OG 3.3Å; E987-S990 PolarHBondContact O-N 2.75Å; E987-S990 PolarHBondContact OE2-OG 3.31Å; S990-R992 PolarHBondContact O-N 2.66Å; S990-R992 VanDerWaalsContact OG-CB 3.26Å; S990-R992 WeakPolarHBondContact OG-CB 3.46Å; S990-R992 PolarHBondContact OG-N 3.42Å
991G90.7Very high90.2Very high0 Ų049 Ų490%025%0.253CS..  trans66.911.1-173.200000113.7T952 V953 Y970 E987 V993T952-G991 WeakPolarHBondContact CA-O 3.29Å; V953-G991 WeakPolarHBondContact CG2-O 3.48Å; V953-G991 PolarHBondContact N-O 3.4Å; Y970-G991 VanDerWaalsContact CD2-CA 3.47Å; E987-G991 PolarHBondContact O-N 2.85Å; G991-V993 PolarHBondContact O-N 3.31Å
992R91.4Very high89.8Confident106 Ų10655.7 Ų55.740%0.428%0.283SS..EExtended strand (participates in β ladder)trans-78118.7-178.2-166.2170.469.2-166.43.8110.5P949 V986 E987 S990 V994P949-R992 HydrophobicContact CB-CG 4.27Å; V986-R992 WeakPolarHBondContact CA-O 3.48Å; E987-R992 HydrophobicContact CB-CB 4.32Å; E987-R992 PolarHBondContact N-O 2.58Å; E987-R992 IonicContact OE1-CZ 2.79Å; E987-R992 IonicContact OE1-NE 3.27Å; E987-R992 PolarHBondContact OE1-NE 3.43Å; E987-R992 VanDerWaalsContact OE1-NE 3.09Å; E987-R992 IonicContact OE1-NH2 3.48Å; E987-R992 PolarHBondContact OE1-NH2 3.49Å; E987-R992 IonicContact OE2-CZ 2.81Å; E987-R992 IonicContact OE2-NE 3.83Å; E987-R992 PolarHBondContact OE2-NE 3.05Å; E987-R992 IonicContact OE2-NH2 3.66Å; E987-R992 PolarHBondContact OE2-NH2 3.31Å; S990-R992 PolarHBondContact O-N 2.66Å; S990-R992 VanDerWaalsContact OG-CB 3.26Å; S990-R992 WeakPolarHBondContact OG-CB 3.46Å; S990-R992 PolarHBondContact OG-N 3.42Å; R992-V994 HydrophobicContact CG-CG1 4.12Å
993V92.5Very high89.4Confident0 Ų054.6 Ų54.60%028%0.275CS..EExtended strand (participates in β ladder)trans-82.2123.5176.2-175.80000109I950 T951 V953 D985 V986 G991 L1009 V1027 I1029I950-V993 WeakPolarHBondContact CB-O 3.42Å; I950-V993 HydrophobicContact CD1-CG1 4.49Å; I950-V993 PolarHBondContact N-O 3.49Å; T951-V993 HydrophobicContact CG2-CB 4.02Å; T951-V993 HydrophobicContact CG2-CG2 3.99Å; T951-V993 WeakPolarHBondContact O-CB 3.13Å; T951-V993 PolarHBondContact O-N 3.06Å; V953-V993 HydrophobicContact CG1-CG2 4.18Å; D985-V993 CarbonylContact O-C 3.02Å; D985-V993 WeakPolarHBondContact O-CA 3.24Å; V986-V993 HydrophobicContact CG2-CG2 4.23Å; G991-V993 PolarHBondContact O-N 3.31Å; V993-L1009 HydrophobicContact CG1-CD2 3.76Å; V993-V1027 HydrophobicContact CG2-CG2 4.21Å; V993-I1029 HydrophobicContact CG1-CD1 4.22Å
994V91.6Very high88.8Confident14 Ų1458.5 Ų58.59%0.08530%0.299CS..EExtended strand (participates in β ladder)trans-131.1161.3-172.7-63.40000111.7T948 F984 D985 R992T948-V994 CarbonylContact O-C 3.57Å; T948-V994 VanDerWaalsContact O-CA 3.29Å; T948-V994 WeakPolarHBondContact O-CA 3.42Å; F984-V994 CarbonylContact C-O 3.53Å; F984-V994 WeakPolarHBondContact CA-O 3.36Å; D985-V994 HydrophobicContact CB-CG2 4.08Å; D985-V994 PolarHBondContact N-O 3.42Å; D985-V994 PolarHBondContact O-N 3.47Å; R992-V994 HydrophobicContact CG-CG1 4.12Å
995T90Very high88.4Confident2 Ų260.6 Ų60.61%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-74128.4168.355.60000110.9V940 A944 V945 G947 T948 I950 F984 L999V940-T995 HydrophobicContact CG2-CG2 3.94Å; A944-T995 HydrophobicContact CB-CG2 4.25Å; V945-T995 PolarHBondContact O-OG1 3.35Å; G947-T995 PolarHBondContact N-O 2.86Å; G947-T995 PolarHBondContact N-OG1 3.48Å; G947-T995 VanDerWaalsContact N-OG1 3.08Å; T948-T995 PolarHBondContact N-OG1 2.83Å; T948-T995 PolarHBondContact O-N 2.84Å; I950-T995 HydrophobicContact CD1-CG2 4.03Å; I950-T995 HydrophobicContact CG1-CG2 4.49Å; F984-T995 HydrophobicContact CD1-CG2 4.19Å; F984-T995 HydrophobicContact CE1-CG2 4.03Å; T995-L999 HydrophobicContact CG2-CD1 3.82Å; T995-L999 HydrophobicContact CG2-CD2 4.37Å; T995-L999 HydrophobicContact CG2-CG 3.98Å
996R88.8Confident88.2Confident98 Ų9862.7 Ų62.737%0.3732%0.322SS..SBendtrans-81.6-28177.6-172.9176.4-87.1-175.8-3.2112.2K946 A981 I983 D985K946-R996 VanDerWaalsContact CD-O 3.24Å; K946-R996 WeakPolarHBondContact CD-O 3.45Å; K946-R996 VanDerWaalsContact CE-O 3.27Å; K946-R996 WeakPolarHBondContact CE-O 3.5Å; K946-R996 WeakPolarHBondContact CG-O 3.44Å; A981-R996 PolarHBondContact O-NH1 3.1Å; A981-R996 VanDerWaalsContact O-NH1 3.15Å; I983-R996 WeakPolarHBondContact O-CB 3.48Å; I983-R996 PolarHBondContact O-N 2.69Å; D985-R996 HydrophobicContact CB-CB 4.28Å; D985-R996 IonicContact OD1-CZ 3.87Å; D985-R996 IonicContact OD1-NH2 2.63Å; D985-R996 PolarHBondContact OD1-NH2 2.68Å; D985-R996 IonicContact OD2-CZ 2.73Å; D985-R996 VanDerWaalsContact OD2-CZ 3.26Å; D985-R996 IonicContact OD2-NE 3.48Å; D985-R996 PolarHBondContact OD2-NE 3.25Å; D985-R996 IonicContact OD2-NH2 3.52Å; D985-R996 PolarHBondContact OD2-NH2 3.47Å
997V89Confident88Confident57 Ų5763 Ų6335%0.34532%0.323SS..SBendtrans-132.4169.1-179.1-59.10000110.6I983 L999I983-V997 HydrophobicContact CB-CG2 3.94Å; I983-V997 HydrophobicContact CG2-CG2 3.82Å; V997-L999 HydrophobicContact CG2-CD2 4.4Å; V997-L999 PolarHBondContact O-N 2.76Å
998N85.2Confident88Confident113 Ų11364.8 Ų64.860%0.60433%0.33SS*.  trans-69.5123.3166.3-63.2-16.4000108.1A944 V945 K946A944-N998 WeakPolarHBondContact O-CA 3.37Å; V945-N998 WeakPolarHBondContact CA-OD1 3.02Å; K946-N998 WeakPolarHBondContact CB-OD1 3.19Å; K946-N998 PolarHBondContact N-OD1 3.35Å
999L85.3Confident88Confident10 Ų1060.5 Ų60.55%0.05231%0.31CS..  trans-75.7148-179.7-60-172.2000110.9V940 P942 D943 A944 I983 F984 T995 V997 E1001V940-L999 HydrophobicContact CB-CD1 4.45Å; V940-L999 HydrophobicContact CG1-CD1 3.84Å; V940-L999 HydrophobicContact CG2-CD1 3.71Å; P942-L999 CarbonylContact O-C 3.56Å; P942-L999 WeakPolarHBondContact O-CB 3.3Å; D943-L999 WeakPolarHBondContact CA-O 3.49Å; A944-L999 HydrophobicContact CB-CD1 4.01Å; A944-L999 HydrophobicContact CB-CG 4.28Å; A944-L999 PolarHBondContact O-N 2.97Å; I983-L999 HydrophobicContact CB-CD2 4.16Å; I983-L999 HydrophobicContact CD1-CD2 4.34Å; F984-L999 HydrophobicContact CE1-CD1 4.03Å; F984-L999 HydrophobicContact CE1-CD2 4.35Å; F984-L999 HydrophobicContact CZ-CD1 4.3Å; T995-L999 HydrophobicContact CG2-CD1 3.82Å; T995-L999 HydrophobicContact CG2-CD2 4.37Å; T995-L999 HydrophobicContact CG2-CG 3.98Å; V997-L999 HydrophobicContact CG2-CD2 4.4Å; V997-L999 PolarHBondContact O-N 2.76Å; L999-E1001 HydrophobicContact CB-CG 4.24Å; L999-E1001 HydrophobicContact CD2-CG 4.33Å
1000N84.6Confident88.1Confident153 Ų15355.4 Ų55.482%0.81828%0.283SS*.  trans-144.457.6166.4-178.353.5000107.6P942P942-N1000 WeakPolarHBondContact O-CA 3.05Å; P942-N1000 PolarHBondContact O-N 3.46Å
1001E85.6Confident88.4Confident30 Ų3052.8 Ų52.814%0.1426%0.264CS..PPolyproline II helixtrans-98.2149.1-169.3-62.2-60.6158.200111.7P942 Y979 I983 L999 F1007 V1031P942-E1001 VanDerWaalsContact CB-O 3.23Å; P942-E1001 WeakPolarHBondContact CB-O 3.27Å; P942-E1001 PolarHBondContact O-N 2.79Å; P942-E1001 VanDerWaalsContact O-N 3.09Å; Y979-E1001 PolarHBondContact OH-OE1 2.97Å; Y979-E1001 PolarHBondContact OH-OE2 3.1Å; I983-E1001 HydrophobicContact CD1-CG 4.46Å; L999-E1001 HydrophobicContact CB-CG 4.24Å; L999-E1001 HydrophobicContact CD2-CG 4.33Å; E1001-F1007 HydrophobicContact CB-CE2 4.3Å; E1001-F1007 HydrophobicContact CB-CZ 4.37Å; E1001-F1007 HydrophobicContact CG-CE2 3.92Å; E1001-F1007 HydrophobicContact CG-CZ 3.93Å; E1001-F1007 WeakPolarHBondContact OE2-CZ 3.29Å; E1001-V1031 HydrophobicContact CB-CG1 4.19Å; E1001-V1031 HydrophobicContact CB-CG2 4.06Å
1002E81.9Confident88.5Confident144 Ų14453.2 Ų53.267%0.67327%0.267SS*.PPolyproline II helixtrans-64.5130.8176.1-73.7-70.4166.500110.4T1005E1002-T1005 VanDerWaalsContact O-CB 3.24Å; E1002-T1005 WeakPolarHBondContact O-CB 3.3Å; E1002-T1005 PolarHBondContact O-N 3.04Å; E1002-T1005 PolarHBondContact O-OG1 3.04Å
1003P80Confident88.6Confident33 Ų3348.2 Ų48.221%0.21425%0.248CC..THydrogen-bonded Turntrans-61.8149.717918.5-27.1000113T1005 H1033P1003-T1005 PolarHBondContact O-N 3.3Å; P1003-H1033 HydrophobicContact CB-CB 4.19Å
1004T79.4Confident88.7Confident90 Ų9049.3 Ų49.355%0.55225%0.253SS*.THydrogen-bonded Turntrans70.62.4-172.972.40000115.8V1031 H1033T1004-V1031 VanDerWaalsContact CA-O 3.22Å; T1004-V1031 WeakPolarHBondContact CA-O 3.35Å; T1004-V1031 PolarHBondContact N-O 3.39Å; T1004-H1033 HydrophobicContact CG2-CB 4.43Å
1005T86.6Confident88.7Confident45 Ų4548.7 Ų48.728%0.27625%0.249SC..  trans-63.8135.8172.5-58.30000110.9E1002 P1003 F1007 V1031E1002-T1005 VanDerWaalsContact O-CB 3.24Å; E1002-T1005 WeakPolarHBondContact O-CB 3.3Å; E1002-T1005 PolarHBondContact O-N 3.04Å; E1002-T1005 PolarHBondContact O-OG1 3.04Å; P1003-T1005 PolarHBondContact O-N 3.3Å; T1005-F1007 HydrophobicContact CG2-CD1 4.24Å; T1005-F1007 HydrophobicContact CG2-CD2 4.48Å; T1005-F1007 HydrophobicContact CG2-CE1 3.73Å; T1005-F1007 HydrophobicContact CG2-CE2 4.02Å; T1005-F1007 HydrophobicContact CG2-CZ 3.61Å; T1005-V1031 PolarHBondContact O-N 3.28Å
1006I89Confident88.5Confident91 Ų9150.7 Ų50.747%0.46726%0.26SS..EExtended strand (participates in β ladder)trans-111.7113.8176.1-59.2172.5000109I1029 L1030I1006-I1029 CarbonylContact C-O 3.51Å; I1006-I1029 WeakPolarHBondContact CA-O 3.39Å; I1006-L1030 HydrophobicContact CD1-CD1 4.35Å; I1006-L1030 HydrophobicContact CG1-CD1 3.64Å
1007F91.6Very high88.2Confident15 Ų1546.3 Ų46.37%0.06625%0.245CC..EExtended strand (participates in β ladder)trans-89.9148.1171.5-60.8-64.9000111.4Y979 P980 I983 F984 E1001 T1005 R1028 I1029 V1031Y979-F1007 AromaticContact CD1-CE1 3.95Å; Y979-F1007 HydrophobicContact CD1-CE1 3.95Å; Y979-F1007 AromaticContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CE1 3.8Å; Y979-F1007 HydrophobicContact CE1-CZ 4.1Å; P980-F1007 HydrophobicContact CB-CB 4.34Å; P980-F1007 HydrophobicContact CG-CB 4.22Å; P980-F1007 HydrophobicContact CG-CD1 3.9Å; P980-F1007 HydrophobicContact CG-CG 4.44Å; I983-F1007 HydrophobicContact CD1-CD2 4.38Å; I983-F1007 HydrophobicContact CD1-CE1 4.17Å; I983-F1007 HydrophobicContact CD1-CE2 3.93Å; I983-F1007 HydrophobicContact CD1-CZ 3.83Å; F984-F1007 HydrophobicContact CE2-CB 3.84Å; F984-F1007 AromaticContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CD2 3.43Å; F984-F1007 VanDerWaalsContact CE2-CD2 3.43Å; F984-F1007 HydrophobicContact CE2-CE2 4.1Å; F984-F1007 AromaticContact CE2-CG 3.73Å; F984-F1007 HydrophobicContact CE2-CG 3.73Å; F984-F1007 AromaticContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CD2 3.67Å; F984-F1007 HydrophobicContact CZ-CE2 4.13Å; F984-F1007 HydrophobicContact CZ-CG 4.43Å; E1001-F1007 HydrophobicContact CB-CE2 4.3Å; E1001-F1007 HydrophobicContact CB-CZ 4.37Å; E1001-F1007 HydrophobicContact CG-CE2 3.92Å; E1001-F1007 HydrophobicContact CG-CZ 3.93Å; E1001-F1007 WeakPolarHBondContact OE2-CZ 3.29Å; T1005-F1007 HydrophobicContact CG2-CD1 4.24Å; T1005-F1007 HydrophobicContact CG2-CD2 4.48Å; T1005-F1007 HydrophobicContact CG2-CE1 3.73Å; T1005-F1007 HydrophobicContact CG2-CE2 4.02Å; T1005-F1007 HydrophobicContact CG2-CZ 3.61Å; F1007-R1028 CarbonylContact O-C 3.57Å; F1007-R1028 WeakPolarHBondContact O-CA 3.21Å; F1007-I1029 HydrophobicContact CB-CB 4.32Å; F1007-I1029 PolarHBondContact N-O 3.24Å; F1007-I1029 PolarHBondContact O-N 3.46Å; F1007-V1031 HydrophobicContact CD2-CG2 3.86Å; F1007-V1031 HydrophobicContact CE2-CG2 3.45Å; F1007-V1031 VanDerWaalsContact CE2-CG2 3.45Å; F1007-V1031 HydrophobicContact CZ-CG2 4.48Å
1008K91.4Very high87.6Confident103 Ų10351.7 Ų51.745%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-115.4122.3168-66.9-179-178.9177.70107.4F977 P980 T1026 R1028F977-K1008 WeakPolarHBondContact CB-O 3.42Å; F977-K1008 HydrophobicContact CD2-CB 4.23Å; F977-K1008 HydrophobicContact CE1-CB 4.38Å; F977-K1008 HydrophobicContact CE2-CB 4.05Å; F977-K1008 HydrophobicContact CG-CB 4.48Å; F977-K1008 WeakPolarHBondContact CG-O 3.09Å; F977-K1008 HydrophobicContact CZ-CB 4.13Å; F977-K1008 HydrophobicContact CZ-CD 4.12Å; P980-K1008 WeakPolarHBondContact CB-O 3.47Å; K1008-T1026 HydrophobicContact CB-CG2 4.32Å; K1008-R1028 HydrophobicContact CG-CG 4.47Å
1009L92.6Very high87.5Confident1 Ų151 Ų511%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-115.3130.4175.6-173.474.2000107.5V972 P980 A981 F984 V993 V1011 T1026 V1027 I1029V972-L1009 HydrophobicContact CG1-CD1 3.5Å; V972-L1009 VanDerWaalsContact CG1-CD1 3.5Å; V972-L1009 HydrophobicContact CG1-CG 4.2Å; V972-L1009 HydrophobicContact CG2-CD1 4.24Å; V972-L1009 HydrophobicContact CG2-CD2 4.24Å; V972-L1009 HydrophobicContact CG2-CG 4.43Å; P980-L1009 HydrophobicContact CB-CD1 4.28Å; A981-L1009 HydrophobicContact CB-CD1 4.45Å; F984-L1009 HydrophobicContact CB-CD1 4.18Å; F984-L1009 HydrophobicContact CB-CD2 3.9Å; V993-L1009 HydrophobicContact CG1-CD2 3.76Å; L1009-V1011 HydrophobicContact CD2-CG2 4.21Å; L1009-V1011 HydrophobicContact CG-CG2 4.43Å; L1009-T1026 CarbonylContact O-C 3.56Å; L1009-T1026 WeakPolarHBondContact O-CA 3.48Å; L1009-V1027 HydrophobicContact CB-CB 4.27Å; L1009-V1027 PolarHBondContact N-O 3.06Å; L1009-V1027 PolarHBondContact O-N 3.16Å; L1009-I1029 HydrophobicContact CB-CD1 4.4Å; L1009-I1029 HydrophobicContact CD2-CD1 4.42Å
1010V94.1Very high87.6Confident3 Ų354.8 Ų54.82%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-98.5123.7174.21770000107.6D973 Q976 F977D973-V1010 HydrophobicContact CB-CB 4.09Å; D973-V1010 HydrophobicContact CB-CG1 3.95Å; D973-V1010 PolarHBondContact N-O 3.3Å; Q976-V1010 HydrophobicContact CB-CG2 4.4Å; F977-V1010 HydrophobicContact CD2-CG2 3.9Å; F977-V1010 HydrophobicContact CE2-CG2 3.91Å
1011V94.2Very high87.7Confident0 Ų050.1 Ų50.10%027%0.265CS..EExtended strand (participates in β ladder)trans-109133.1176.9-179.50000108F931 V953 Y970 R971 V986 L1009 S1024 A1025 V1027F931-V1011 HydrophobicContact CZ-CG1 4.22Å; V953-V1011 HydrophobicContact CG2-CG1 3.96Å; Y970-V1011 HydrophobicContact CD1-CG1 4.29Å; R971-V1011 WeakPolarHBondContact O-CA 3.06Å; V986-V1011 HydrophobicContact CB-CG1 4.44Å; V986-V1011 HydrophobicContact CG1-CG1 4.11Å; V986-V1011 HydrophobicContact CG2-CG1 4.26Å; L1009-V1011 HydrophobicContact CD2-CG2 4.21Å; L1009-V1011 HydrophobicContact CG-CG2 4.43Å; V1011-S1024 CarbonylContact O-C 3.58Å; V1011-S1024 VanDerWaalsContact O-CA 3.25Å; V1011-S1024 WeakPolarHBondContact O-CA 3.37Å; V1011-A1025 PolarHBondContact N-O 3.13Å; V1011-A1025 PolarHBondContact O-N 3.02Å; V1011-V1027 HydrophobicContact CG2-CG2 3.74Å
1012V93.9Very high88Confident10 Ų1051.8 Ų51.86%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-106126.8177.4-179.40000108Y970 R971 D973 S1023Y970-V1012 WeakPolarHBondContact CA-O 3.38Å; R971-V1012 HydrophobicContact CG-CB 4.05Å; R971-V1012 PolarHBondContact N-O 3.38Å; R971-V1012 PolarHBondContact O-N 3.13Å; D973-V1012 HydrophobicContact CB-CG2 3.86Å; V1012-S1023 CarbonylContact C-O 3.49Å; V1012-S1023 VanDerWaalsContact CA-O 3.25Å; V1012-S1023 WeakPolarHBondContact CA-O 3.41Å; V1012-S1023 WeakPolarHBondContact CG1-O 3.34Å
1013A94.3Very high88.6Confident0 Ų046.6 Ų46.60%026%0.26CS..EExtended strand (participates in β ladder)trans-95.5132.7164.800000107.4P929 F931 A955 V968 R969 Y970 S1022 S1023P929-A1013 HydrophobicContact CB-CB 3.95Å; F931-A1013 HydrophobicContact CD2-CB 4.29Å; F931-A1013 HydrophobicContact CE1-CB 4.15Å; F931-A1013 HydrophobicContact CE2-CB 3.5Å; F931-A1013 VanDerWaalsContact CE2-CB 3.5Å; F931-A1013 HydrophobicContact CZ-CB 3.42Å; F931-A1013 VanDerWaalsContact CZ-CB 3.42Å; A955-A1013 HydrophobicContact CB-CB 3.7Å; V968-A1013 HydrophobicContact CG1-CB 3.93Å; R969-A1013 CarbonylContact O-C 3.57Å; R969-A1013 WeakPolarHBondContact O-CA 3.28Å; Y970-A1013 HydrophobicContact CD1-CB 4.02Å; Y970-A1013 HydrophobicContact CE1-CB 3.95Å; A1013-S1022 CarbonylContact O-C 3.2Å; A1013-S1022 WeakPolarHBondContact O-CA 2.97Å; A1013-S1022 VanDerWaalsContact O-CB 3.3Å; A1013-S1022 WeakPolarHBondContact O-CB 3.19Å; A1013-S1023 PolarHBondContact N-O 3.41Å; A1013-S1023 PolarHBondContact O-N 2.81Å
1014F93.7Very high89.2Confident24 Ų2448.6 Ų48.611%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-141.2144.8179.662.1-80.9000109.5R969 R971 V1020 M1021R969-F1014 HydrophobicContact CB-CE1 4.02Å; R969-F1014 HydrophobicContact CB-CE2 3.95Å; R969-F1014 HydrophobicContact CB-CZ 3.67Å; R969-F1014 PolarHBondContact N-O 2.76Å; R969-F1014 WeakPolarHBondContact O-CD1 3.44Å; R969-F1014 PolarHBondContact O-N 2.65Å; R971-F1014 HydrophobicContact CB-CE1 3.84Å; R971-F1014 HydrophobicContact CG-CD1 3.88Å; R971-F1014 HydrophobicContact CG-CE1 3.53Å; F1014-V1020 HydrophobicContact CB-CG1 4.11Å; F1014-V1020 HydrophobicContact CD2-CG1 4.39Å; F1014-M1021 VanDerWaalsContact CA-O 3.3Å; F1014-M1021 WeakPolarHBondContact CA-O 3.27Å; F1014-M1021 WeakPolarHBondContact CB-O 3.27Å
1015D91.5Very high89.8Confident0 Ų044.5 Ų44.50%025%0.25CC..  trans-84173.7173.452.370.7000111.9N925 P929 A965 R967 G1017 V1020 M1021N925-D1015 PolarHBondContact ND2-OD1 3.02Å; P929-D1015 VanDerWaalsContact CD-OD2 3.24Å; P929-D1015 WeakPolarHBondContact CD-OD2 3.33Å; P929-D1015 HydrophobicContact CG-CB 4.1Å; A965-D1015 WeakPolarHBondContact O-CB 3.12Å; R967-D1015 WeakPolarHBondContact O-CA 3.21Å; D1015-G1017 PolarHBondContact OD1-N 3.25Å; D1015-V1020 WeakPolarHBondContact O-CG1 3.47Å; D1015-V1020 WeakPolarHBondContact OD1-CA 2.92Å; D1015-M1021 PolarHBondContact N-O 2.93Å; D1015-M1021 PolarHBondContact OD1-N 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CA 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CB 3.28Å; D1015-M1021 PolarHBondContact OD2-N 2.83Å
1016D86.7Confident90.1Very high44 Ų4444.5 Ų44.524%0.23525%0.25CC..SBendtrans-10019171.7-68.5-15.6000111.8P964 R967 R969P964-D1016 HydrophobicContact CB-CB 3.92Å; P964-D1016 WeakPolarHBondContact CB-O 3.14Å; P964-D1016 CarbonylContact O-C 3.52Å; P964-D1016 WeakPolarHBondContact O-CA 3.23Å; P964-D1016 WeakPolarHBondContact O-CB 3.32Å; P964-D1016 PolarHBondContact O-N 3.3Å; R967-D1016 IonicContact NH1-OD2 3.35Å; R969-D1016 IonicContact CZ-OD1 3.1Å; R969-D1016 IonicContact CZ-OD2 2.75Å; R969-D1016 IonicContact NE-OD1 3.19Å; R969-D1016 PolarHBondContact NE-OD1 3.14Å; R969-D1016 IonicContact NE-OD2 3.61Å; R969-D1016 PolarHBondContact NE-OD2 3.4Å; R969-D1016 IonicContact NH2-OD1 2.61Å; R969-D1016 PolarHBondContact NH2-OD1 3.42Å; R969-D1016 IonicContact NH2-OD2 2.87Å
1017G82.2Confident90.2Very high6 Ų640.1 Ų40.16%0.06223%0.228CC..  trans-76.3168.2179.900000113.8D1015 P1019 V1020D1015-G1017 PolarHBondContact OD1-N 3.25Å; G1017-P1019 CarbonylContact O-C 3.54Å; G1017-V1020 VanDerWaalsContact O-CA 3.26Å; G1017-V1020 WeakPolarHBondContact O-CA 2.92Å; G1017-V1020 WeakPolarHBondContact O-CG2 3.42Å; G1017-V1020 PolarHBondContact O-N 3.35Å
1018E76.5Confident90.3Very high171 Ų17144.6 Ų44.680%0.79924%0.244SC*.SBendtrans-121.7114.4173.3-75.8-168.6172.400110.4
1019P83.1Confident90.2Very high98 Ų9839.7 Ų39.764%0.63622%0.223SC*.SBendcis-72.7146-332.2-34.4000112N925 G1017 M1021N925-P1019 PolarHBondContact ND2-O 3.36Å; G1017-P1019 CarbonylContact O-C 3.54Å; P1019-M1021 PolarHBondContact O-N 3.26Å
1020V86.1Confident89.9Confident90 Ų9042.1 Ų42.155%0.54524%0.235SC..PPolyproline II helixtrans-58.5124177.21740000110.2F1014 D1015 G1017F1014-V1020 HydrophobicContact CB-CG1 4.11Å; F1014-V1020 HydrophobicContact CD2-CG1 4.39Å; D1015-V1020 WeakPolarHBondContact O-CG1 3.47Å; D1015-V1020 WeakPolarHBondContact OD1-CA 2.92Å; G1017-V1020 VanDerWaalsContact O-CA 3.26Å; G1017-V1020 WeakPolarHBondContact O-CA 2.92Å; G1017-V1020 WeakPolarHBondContact O-CG2 3.42Å; G1017-V1020 PolarHBondContact O-N 3.35Å
1021M88.1Confident89.4Confident54 Ų5442 Ų4227%0.26623%0.234SC..PPolyproline II helixtrans-99.3156.8172-56.6-179.57600110.2P928 F1014 D1015 P1019P928-M1021 HydrophobicContact CB-CB 3.91Å; P928-M1021 HydrophobicContact CB-CE 4Å; P928-M1021 HydrophobicContact CG-CE 4.03Å; F1014-M1021 VanDerWaalsContact CA-O 3.3Å; F1014-M1021 WeakPolarHBondContact CA-O 3.27Å; F1014-M1021 WeakPolarHBondContact CB-O 3.27Å; D1015-M1021 PolarHBondContact N-O 2.93Å; D1015-M1021 PolarHBondContact OD1-N 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CA 3.05Å; D1015-M1021 WeakPolarHBondContact OD2-CB 3.28Å; D1015-M1021 PolarHBondContact OD2-N 2.83Å; P1019-M1021 PolarHBondContact O-N 3.26Å
1022S92Very high88.6Confident66 Ų6642.5 Ų42.546%0.46224%0.237SC..EExtended strand (participates in β ladder)trans-157.7151.3-177.160.90000113.2A1013A1013-S1022 CarbonylContact O-C 3.2Å; A1013-S1022 WeakPolarHBondContact O-CA 2.97Å; A1013-S1022 VanDerWaalsContact O-CB 3.3Å; A1013-S1022 WeakPolarHBondContact O-CB 3.19Å
1023S92.8Very high87.7Confident34 Ų3445.8 Ų45.824%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-131.9167.9170.679.30000110.9P929 F931 V1012 A1013P929-S1023 WeakPolarHBondContact O-CB 3.15Å; P929-S1023 PolarHBondContact O-OG 2.73Å; F931-S1023 VanDerWaalsContact CD2-OG 3.31Å; F931-S1023 WeakPolarHBondContact CD2-OG 3.2Å; V1012-S1023 CarbonylContact C-O 3.49Å; V1012-S1023 VanDerWaalsContact CA-O 3.25Å; V1012-S1023 WeakPolarHBondContact CA-O 3.41Å; V1012-S1023 WeakPolarHBondContact CG1-O 3.34Å; A1013-S1023 PolarHBondContact N-O 3.41Å; A1013-S1023 PolarHBondContact O-N 2.81Å
1024S92.6Very high86.5Confident76 Ų7648.2 Ų48.253%0.53127%0.268SS..EExtended strand (participates in β ladder)trans-134.3146.9-179.561.70000113.2V1011V1011-S1024 CarbonylContact O-C 3.58Å; V1011-S1024 VanDerWaalsContact O-CA 3.25Å; V1011-S1024 WeakPolarHBondContact O-CA 3.37Å
1025A92.4Very high85.3Confident3 Ų348 Ų483%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-132.3153173.800000111F931 Y936 V1011F931-A1025 HydrophobicContact CB-CB 4.06Å; F931-A1025 HydrophobicContact CD1-CB 3.75Å; F931-A1025 HydrophobicContact CD2-CB 3.6Å; F931-A1025 HydrophobicContact CE1-CB 4.03Å; F931-A1025 HydrophobicContact CE2-CB 3.88Å; F931-A1025 HydrophobicContact CG-CB 3.52Å; F931-A1025 HydrophobicContact CZ-CB 4.08Å; Y936-A1025 HydrophobicContact CD2-CB 4.27Å; Y936-A1025 HydrophobicContact CE2-CB 4.06Å; V1011-A1025 PolarHBondContact N-O 3.13Å; V1011-A1025 PolarHBondContact O-N 3.02Å
1026T93.1Very high84.3Confident45 Ų4551.1 Ų51.128%0.27629%0.286SS..EExtended strand (participates in β ladder)trans-100.9128.2179.5-55.20000111.3R934 I935 Y936 K1008 L1009 R1028R934-T1026 PolarHBondContact O-N 2.82Å; I935-T1026 CarbonylContact C-O 3.45Å; I935-T1026 VanDerWaalsContact CA-O 3.28Å; I935-T1026 WeakPolarHBondContact CA-O 3.29Å; Y936-T1026 PolarHBondContact N-O 3.28Å; K1008-T1026 HydrophobicContact CB-CG2 4.32Å; L1009-T1026 CarbonylContact O-C 3.56Å; L1009-T1026 WeakPolarHBondContact O-CA 3.48Å; T1026-R1028 HydrophobicContact CG2-CG 4.48Å
1027V92.4Very high83.4Confident0 Ų050 Ų500%028%0.28CS..EExtended strand (participates in β ladder)trans-101118.4171-170.30000109.1Y936 T951 V953 V993 L1009 V1011 I1029Y936-V1027 CarbonylContact O-C 3.54Å; Y936-V1027 WeakPolarHBondContact O-CA 3.37Å; T951-V1027 HydrophobicContact CG2-CG1 3.56Å; V953-V1027 HydrophobicContact CG1-CG2 3.71Å; V993-V1027 HydrophobicContact CG2-CG2 4.21Å; L1009-V1027 HydrophobicContact CB-CB 4.27Å; L1009-V1027 PolarHBondContact N-O 3.06Å; L1009-V1027 PolarHBondContact O-N 3.16Å; V1011-V1027 HydrophobicContact CG2-CG2 3.74Å; V1027-I1029 HydrophobicContact CG1-CD1 4.41Å; V1027-I1029 HydrophobicContact CG1-CG1 3.92Å
1028R91.8Very high83.1Confident108 Ų10849.8 Ų49.841%0.40828%0.278SS..EExtended strand (participates in β ladder)trans-96.2111.9175.3-69.2-177.364.6178.5-1.7109.7I935 Y936 K937 G938 F1007 K1008 T1026I935-R1028 HydrophobicContact CG2-CG 4.13Å; Y936-R1028 PolarHBondContact O-N 3.49Å; K937-R1028 CarbonylContact C-O 3.59Å; K937-R1028 WeakPolarHBondContact CA-O 3.26Å; G938-R1028 PolarHBondContact N-O 3.38Å; F1007-R1028 CarbonylContact O-C 3.57Å; F1007-R1028 WeakPolarHBondContact O-CA 3.21Å; K1008-R1028 HydrophobicContact CG-CG 4.47Å; T1026-R1028 HydrophobicContact CG2-CG 4.48Å
1029I90.3Very high83.1Confident0 Ų048.6 Ų48.60%027%0.266CS..EExtended strand (participates in β ladder)trans-107116.9-175.6-54.7170.2000108.8G938 V940 I950 F984 V993 I1006 F1007 L1009 V1027G938-I1029 CarbonylContact O-C 3.55Å; G938-I1029 WeakPolarHBondContact O-CA 3.24Å; V940-I1029 HydrophobicContact CB-CG2 4.25Å; V940-I1029 HydrophobicContact CG1-CG2 3.68Å; I950-I1029 HydrophobicContact CD1-CD1 4.03Å; I950-I1029 HydrophobicContact CD1-CG2 4.25Å; I950-I1029 HydrophobicContact CG2-CD1 4.4Å; I950-I1029 HydrophobicContact CG2-CG1 4.12Å; I950-I1029 HydrophobicContact CG2-CG2 3.93Å; F984-I1029 HydrophobicContact CB-CD1 4.37Å; F984-I1029 HydrophobicContact CD1-CD1 3.95Å; F984-I1029 HydrophobicContact CD2-CD1 3.66Å; F984-I1029 HydrophobicContact CE1-CD1 4.13Å; F984-I1029 HydrophobicContact CE1-CG2 4.25Å; F984-I1029 HydrophobicContact CE2-CD1 3.88Å; F984-I1029 HydrophobicContact CE2-CG2 4.48Å; F984-I1029 HydrophobicContact CG-CD1 3.71Å; F984-I1029 HydrophobicContact CZ-CD1 4.11Å; F984-I1029 HydrophobicContact CZ-CG2 3.95Å; V993-I1029 HydrophobicContact CG1-CD1 4.22Å; I1006-I1029 CarbonylContact C-O 3.51Å; I1006-I1029 WeakPolarHBondContact CA-O 3.39Å; F1007-I1029 HydrophobicContact CB-CB 4.32Å; F1007-I1029 PolarHBondContact N-O 3.24Å; F1007-I1029 PolarHBondContact O-N 3.46Å; L1009-I1029 HydrophobicContact CB-CD1 4.4Å; L1009-I1029 HydrophobicContact CD2-CD1 4.42Å; V1027-I1029 HydrophobicContact CG1-CD1 4.41Å; V1027-I1029 HydrophobicContact CG1-CG1 3.92Å
1030L85.4Confident83Confident52 Ų5245.2 Ų45.227%0.27224%0.242SC..EExtended strand (participates in β ladder)trans-93.1123.9174.2175.567.5000109.8G938 M939 V940 I1006 L1032G938-L1030 PolarHBondContact O-N 2.67Å; M939-L1030 WeakPolarHBondContact CA-O 3.47Å; M939-L1030 HydrophobicContact CE-CD2 4.4Å; M939-L1030 HydrophobicContact CG-CB 4.42Å; V940-L1030 PolarHBondContact N-O 3.44Å; I1006-L1030 HydrophobicContact CD1-CD1 4.35Å; I1006-L1030 HydrophobicContact CG1-CD1 3.64Å; L1030-L1032 HydrophobicContact CD2-CD2 4.16Å; L1030-L1032 PolarHBondContact O-N 3.39Å
1031V84.8Confident82.7Confident0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-77.6116.3167.5-175.10000108.1V940 P942 E1001 T1004 T1005 F1007V940-V1031 HydrophobicContact CG1-CG2 4.19Å; V940-V1031 WeakPolarHBondContact O-CA 3.23Å; P942-V1031 HydrophobicContact CB-CG1 3.65Å; P942-V1031 HydrophobicContact CG-CG1 4.5Å; E1001-V1031 HydrophobicContact CB-CG1 4.19Å; E1001-V1031 HydrophobicContact CB-CG2 4.06Å; T1004-V1031 VanDerWaalsContact CA-O 3.22Å; T1004-V1031 WeakPolarHBondContact CA-O 3.35Å; T1004-V1031 PolarHBondContact N-O 3.39Å; T1005-V1031 PolarHBondContact O-N 3.28Å; F1007-V1031 HydrophobicContact CD2-CG2 3.86Å; F1007-V1031 HydrophobicContact CE2-CG2 3.45Å; F1007-V1031 VanDerWaalsContact CE2-CG2 3.45Å; F1007-V1031 HydrophobicContact CZ-CG2 4.48Å
1032L77.5Confident82.1Confident12 Ų1247.4 Ų47.46%0.06325%0.251CS..PPolyproline II helixtrans-70.9151.6-177.6-68.2178000111.8M939 V940 P942 L1030 I1037 V1126M939-L1032 HydrophobicContact CB-CD1 4.25Å; M939-L1032 HydrophobicContact CB-CD2 4.35Å; M939-L1032 HydrophobicContact CB-CG 4.22Å; M939-L1032 HydrophobicContact CG-CD2 4.24Å; M939-L1032 HydrophobicContact SD-CD2 4.07Å; V940-L1032 PolarHBondContact O-N 3.15Å; P942-L1032 WeakPolarHBondContact CD-O 3.42Å; L1030-L1032 HydrophobicContact CD2-CD2 4.16Å; L1030-L1032 PolarHBondContact O-N 3.39Å; L1032-I1037 HydrophobicContact CB-CD1 4.34Å; L1032-I1037 HydrophobicContact CB-CG1 4.13Å; L1032-I1037 HydrophobicContact CD1-CG1 4.17Å; L1032-V1126 HydrophobicContact CD1-CB 3.74Å; L1032-V1126 HydrophobicContact CD1-CG1 4.24Å; L1032-V1126 HydrophobicContact CD1-CG2 3.55Å
1033H74.7Confident81Confident79 Ų7952.8 Ų52.837%0.36627%0.269SS..PPolyproline II helixtrans-70.2137.1168.6-167.973.9000110P1003 T1004 G1035 E1036P1003-H1033 HydrophobicContact CB-CB 4.19Å; T1004-H1033 HydrophobicContact CG2-CB 4.43Å; H1033-G1035 PolarHBondContact CD2-N 3.46Å; H1033-G1035 PolarHBondContact O-N 2.71Å; H1033-E1036 HydrophobicContact CB-CG 4.01Å; H1033-E1036 PolarHBondContact N-OE2 2.93Å; H1033-E1036 WeakPolarHBondContact O-CB 3.16Å; H1033-E1036 PolarHBondContact O-N 3.32Å
1034P69.3Low80.1Confident51 Ų5155.6 Ų55.633%0.33128%0.278SS..THydrogen-bonded Turntrans-54.4-28.2-179.6-26.230.2000113.9P942P942-P1034 HydrophobicContact CG-CG 3.86Å
1035G68.9Low79.6Confident19 Ų1952.7 Ų52.720%0.19626%0.256CS..THydrogen-bonded Turntrans-76.5-17.2175.700000115.1H1033 I1068H1033-G1035 PolarHBondContact CD2-N 3.46Å; H1033-G1035 PolarHBondContact O-N 2.71Å; G1035-I1068 WeakPolarHBondContact O-CG1 3.26Å; G1035-I1068 PolarHBondContact O-N 2.84Å
1036E68.8Low79Confident65 Ų6561.1 Ų61.130%0.30429%0.287SS..THydrogen-bonded Turntrans-85.6-14175.4-67.6171.8171.300112.3H1033 P1038 Q1070H1033-E1036 HydrophobicContact CB-CG 4.01Å; H1033-E1036 PolarHBondContact N-OE2 2.93Å; H1033-E1036 WeakPolarHBondContact O-CB 3.16Å; H1033-E1036 PolarHBondContact O-N 3.32Å; E1036-P1038 WeakPolarHBondContact O-CD 3.45Å; E1036-Q1070 PolarHBondContact O-OE1 3.34Å
1037I68.9Low78.5Confident20 Ų2060 Ų6010%0.10328%0.281CS..SBendtrans-85.3120.1177.7-56.6170.9000108A941 L1032 R1039 V1126A941-I1037 HydrophobicContact CB-CD1 3.61Å; L1032-I1037 HydrophobicContact CB-CD1 4.34Å; L1032-I1037 HydrophobicContact CB-CG1 4.13Å; L1032-I1037 HydrophobicContact CD1-CG1 4.17Å; I1037-R1039 PolarHBondContact O-N 3.05Å; I1037-V1126 HydrophobicContact CD1-CG1 4.46Å
1038P76.4Confident77.9Confident3 Ų364.7 Ų64.72%0.01931%0.311CS..  trans-53.8123.7179.4-26.234.4000111.6E1036 A1065 A1067 I1072 A1114 S1116 S1128E1036-P1038 WeakPolarHBondContact O-CD 3.45Å; P1038-A1065 HydrophobicContact CB-CB 4.34Å; P1038-A1067 HydrophobicContact CB-CB 4.48Å; P1038-A1067 HydrophobicContact CG-CB 4.24Å; P1038-I1072 HydrophobicContact CB-CD1 4.2Å; P1038-I1072 HydrophobicContact CB-CG1 4.35Å; P1038-I1072 HydrophobicContact CG-CG1 4.4Å; P1038-A1114 HydrophobicContact CB-CB 3.94Å; P1038-S1116 VanDerWaalsContact CG-OG 3.32Å; P1038-S1116 WeakPolarHBondContact CG-OG 2.99Å; P1038-S1128 WeakPolarHBondContact O-CB 3.17Å; P1038-S1128 PolarHBondContact O-OG 3.37Å
1039R75.2Confident77.5Confident146 Ų14663.5 Ų63.555%0.55132%0.317SS*.EExtended strand (participates in β ladder)trans-112.4125.6172.1-74.7-174.7-176.6-107.3-1.9109.7I1037 A1065 A1066I1037-R1039 PolarHBondContact O-N 3.05Å; R1039-A1065 CarbonylContact O-C 3.57Å; R1039-A1065 WeakPolarHBondContact O-CA 3.29Å; R1039-A1065 WeakPolarHBondContact O-CB 3.45Å; R1039-A1066 PolarHBondContact N-O 3.5Å; R1039-A1066 PolarHBondContact O-N 2.88Å
1040F81Confident77.2Confident27 Ų2764 Ų6412%0.11832%0.32CS..EExtended strand (participates in β ladder)trans-61.7141.8170.4-74.6-78.8000110.2Q1042 Y1045 I1063 A1065 Y1074 A1114 S1130F1040-Q1042 WeakPolarHBondContact CB-O 3.14Å; F1040-Q1042 PolarHBondContact O-N 2.94Å; F1040-Y1045 HydrophobicContact CB-CE2 4.29Å; F1040-Y1045 HydrophobicContact CD1-CE2 4.09Å; F1040-I1063 HydrophobicContact CE1-CB 4.43Å; F1040-I1063 HydrophobicContact CE1-CD1 3.84Å; F1040-I1063 HydrophobicContact CE1-CG1 4.34Å; F1040-A1065 HydrophobicContact CD1-CB 3.89Å; F1040-A1065 HydrophobicContact CE1-CB 4.14Å; F1040-A1065 HydrophobicContact CG-CB 4.16Å; F1040-Y1074 AromaticContact CE1-CD1 3.95Å; F1040-Y1074 HydrophobicContact CE1-CD1 3.95Å; F1040-Y1074 AromaticContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CZ-CD1 4.35Å; F1040-A1114 HydrophobicContact CE1-CB 4.02Å; F1040-A1114 HydrophobicContact CE2-CB 3.71Å; F1040-A1114 HydrophobicContact CZ-CB 3.42Å; F1040-A1114 VanDerWaalsContact CZ-CB 3.42Å; F1040-S1130 VanDerWaalsContact CG-CB 3.46Å
1041T79.4Confident77Confident87 Ų8763.3 Ų63.353%0.53432%0.32SS..SBendtrans-69.5-18.7178.853.20000112.7Y1045 S1064T1041-Y1045 PolarHBondContact N-OH 2.71Å; T1041-Y1045 VanDerWaalsContact N-OH 3.15Å; T1041-Y1045 PolarHBondContact OG1-OH 2.9Å; T1041-S1064 WeakPolarHBondContact CG2-OG 3.5Å; T1041-S1064 PolarHBondContact N-O 2.9Å; T1041-S1064 PolarHBondContact OG1-O 2.98Å; T1041-S1064 VanDerWaalsContact OG1-O 3.08Å; T1041-S1064 PolarHBondContact OG1-OG 2.79Å
1042Q75.9Confident76.9Confident102 Ų10264.9 Ų64.948%0.47733%0.327SS..  trans-135.8145.9176-55.1-179.5-4.400109.8F1040 E1044 Y1045 S1130F1040-Q1042 WeakPolarHBondContact CB-O 3.14Å; F1040-Q1042 PolarHBondContact O-N 2.94Å; Q1042-E1044 PolarHBondContact OE1-O 2.69Å; Q1042-Y1045 HydrophobicContact CB-CD1 4.26Å; Q1042-Y1045 HydrophobicContact CB-CD2 4.22Å; Q1042-Y1045 HydrophobicContact CB-CE1 3.89Å; Q1042-Y1045 HydrophobicContact CB-CE2 3.86Å; Q1042-Y1045 HydrophobicContact CB-CG 4.4Å; Q1042-Y1045 HydrophobicContact CG-CD1 4.33Å; Q1042-Y1045 HydrophobicContact CG-CE1 3.84Å; Q1042-Y1045 PolarHBondContact N-OH 3.42Å; Q1042-Y1045 WeakPolarHBondContact O-CE2 3.15Å; Q1042-Y1045 VanDerWaalsContact OE1-CD1 3.25Å; Q1042-S1130 PolarHBondContact O-OG 3.25Å
1043E68.7Low77.1Confident180 Ų18071 Ų7184%0.84136%0.359SS*.SBendtrans-70.7-41.8172.5-68.8-171.716400111.2S1130 L1131E1043-S1130 PolarHBondContact O-OG 2.74Å; E1043-L1131 PolarHBondContact O-N 3.36Å
1044E75Confident77.4Confident92 Ų9267.9 Ų67.943%0.4335%0.348SS..EExtended strand (participates in β ladder)trans-127.1130.4174.8-70.8-173-178.700111.7Q1042 R1046 L1131Q1042-E1044 PolarHBondContact OE1-O 2.69Å; E1044-R1046 IonicContact OE2-CZ 3.43Å; E1044-R1046 IonicContact OE2-NE 3.72Å; E1044-R1046 PolarHBondContact OE2-NE 2.83Å; E1044-R1046 IonicContact OE2-NH2 3.55Å; E1044-R1046 PolarHBondContact OE2-NH2 3.35Å; E1044-L1131 VanDerWaalsContact CA-O 3.24Å; E1044-L1131 WeakPolarHBondContact CA-O 3.32Å; E1044-L1131 HydrophobicContact CG-CB 4.5Å
1045Y81Confident78.1Confident15 Ų1568.7 Ų68.76%0.05936%0.359CS..EExtended strand (participates in β ladder)trans-101.1125.6172-65.9-97000110.6F1040 T1041 Q1042 P1047 I1063 S1064 L1131 S1132 V1133F1040-Y1045 HydrophobicContact CB-CE2 4.29Å; F1040-Y1045 HydrophobicContact CD1-CE2 4.09Å; T1041-Y1045 PolarHBondContact N-OH 2.71Å; T1041-Y1045 VanDerWaalsContact N-OH 3.15Å; T1041-Y1045 PolarHBondContact OG1-OH 2.9Å; Q1042-Y1045 HydrophobicContact CB-CD1 4.26Å; Q1042-Y1045 HydrophobicContact CB-CD2 4.22Å; Q1042-Y1045 HydrophobicContact CB-CE1 3.89Å; Q1042-Y1045 HydrophobicContact CB-CE2 3.86Å; Q1042-Y1045 HydrophobicContact CB-CG 4.4Å; Q1042-Y1045 HydrophobicContact CG-CD1 4.33Å; Q1042-Y1045 HydrophobicContact CG-CE1 3.84Å; Q1042-Y1045 PolarHBondContact N-OH 3.42Å; Q1042-Y1045 WeakPolarHBondContact O-CE2 3.15Å; Q1042-Y1045 VanDerWaalsContact OE1-CD1 3.25Å; Y1045-P1047 WeakPolarHBondContact O-CD 3.33Å; Y1045-I1063 HydrophobicContact CD1-CG2 4.05Å; Y1045-I1063 HydrophobicContact CD2-CB 4.39Å; Y1045-I1063 HydrophobicContact CD2-CG2 3.77Å; Y1045-I1063 HydrophobicContact CE1-CB 4.35Å; Y1045-I1063 HydrophobicContact CE1-CG2 4.35Å; Y1045-I1063 HydrophobicContact CE2-CB 4.19Å; Y1045-I1063 HydrophobicContact CE2-CG2 4.08Å; Y1045-I1063 HydrophobicContact CG-CG2 3.77Å; Y1045-S1064 PolarHBondContact OH-O 3.19Å; Y1045-L1131 PolarHBondContact N-O 3.12Å; Y1045-S1132 CarbonylContact O-C 3.6Å; Y1045-S1132 VanDerWaalsContact O-CA 3.32Å; Y1045-S1132 WeakPolarHBondContact O-CA 3.46Å; Y1045-V1133 PolarHBondContact O-N 2.66Å
1046R81.1Confident78.9Confident180 Ų18076.8 Ų76.868%0.67938%0.383SS*.  trans-12084177.8-64-172.7-176.7-140.7-0.9111.3E1044 V1133E1044-R1046 IonicContact OE2-CZ 3.43Å; E1044-R1046 IonicContact OE2-NE 3.72Å; E1044-R1046 PolarHBondContact OE2-NE 2.83Å; E1044-R1046 IonicContact OE2-NH2 3.55Å; E1044-R1046 PolarHBondContact OE2-NH2 3.35Å; R1046-V1133 HydrophobicContact CG-CB 4.47Å
1047P82.1Confident79.7Confident23 Ų2375.9 Ų75.915%0.14939%0.391CS..PPolyproline II helixtrans-62.5160.1174.922.8-33.3000113.2Y1045 V1060 V1133 I1134Y1045-P1047 WeakPolarHBondContact O-CD 3.33Å; P1047-V1060 HydrophobicContact CB-CG1 4.19Å; P1047-V1060 WeakPolarHBondContact CB-O 3.42Å; P1047-V1060 HydrophobicContact CG-CG1 3.95Å; P1047-V1133 WeakPolarHBondContact CD-O 3.44Å; P1047-I1134 HydrophobicContact CG-CB 4.46Å; P1047-I1134 HydrophobicContact CG-CG1 3.8Å
1048P79.8Confident80.6Confident98 Ų9877.5 Ų77.564%0.63640%0.402SS*.PPolyproline II helixtrans-62156.7173.725.8-32.6000111.9
1049P83.1Confident81.2Confident82 Ų8281.8 Ų81.853%0.53243%0.428SS..PPolyproline II helixtrans-60.1138.1-177.7-20.930.9000113.3P1135P1049-P1135 CarbonylContact C-O 3.56Å; P1049-P1135 WeakPolarHBondContact CA-O 3.28Å; P1049-P1135 HydrophobicContact CB-CG 4.33Å; P1049-P1135 HydrophobicContact CG-CG 4.15Å
1050V83.5Confident81.7Confident10 Ų1075.2 Ų75.26%0.06140%0.404CS..EExtended strand (participates in β ladder)trans-98.6130.5178.6-173.10000109.3A1054 V1060 V1096 L1100 I1134 P1135 C1136 S1137V1050-A1054 HydrophobicContact CG1-CB 3.7Å; V1050-V1060 HydrophobicContact CG2-CB 4.18Å; V1050-V1060 HydrophobicContact CG2-CG1 3.67Å; V1050-V1060 HydrophobicContact CG2-CG2 3.9Å; V1050-V1096 HydrophobicContact CG1-CG2 3.85Å; V1050-L1100 HydrophobicContact CB-CD1 4.14Å; V1050-L1100 HydrophobicContact CG1-CD1 3.63Å; V1050-I1134 HydrophobicContact CG2-CG2 3.97Å; V1050-P1135 PolarHBondContact N-O 3.17Å; V1050-C1136 CarbonylContact O-C 3.49Å; V1050-C1136 VanDerWaalsContact O-CA 3.3Å; V1050-C1136 WeakPolarHBondContact O-CA 3.04Å; V1050-S1137 PolarHBondContact O-N 3.33Å
1051S81.8Confident82Confident39 Ų3974.8 Ų74.827%0.27341%0.407SS..EExtended strand (participates in β ladder)trans-63.2140.1175178.60000110.5L1053 A1054S1051-L1053 PolarHBondContact O-N 3Å; S1051-L1053 PolarHBondContact OG-N 2.84Å; S1051-A1054 WeakPolarHBondContact O-CB 3.21Å; S1051-A1054 PolarHBondContact O-N 2.72Å
1052E82.9Confident82.3Confident32 Ų3274.7 Ų74.715%0.1541%0.406CS..THydrogen-bonded Turntrans-59.2-35.717370.7-166.2143.300112.3A1054 L1100 Y1102E1052-A1054 PolarHBondContact O-N 2.98Å; E1052-A1054 VanDerWaalsContact O-N 3.14Å; E1052-L1100 CarbonylContact C-O 3.5Å; E1052-L1100 WeakPolarHBondContact CB-O 3.29Å; E1052-Y1102 WeakPolarHBondContact OE2-CB 3.27Å; E1052-Y1102 PolarHBondContact OE2-N 2.76Å
1053L80.7Confident82.8Confident140 Ų14070 Ų7073%0.73338%0.384SS*.THydrogen-bonded Turntrans-75.811.7173.4-60.9174.7000114.4S1051 A1055S1051-L1053 PolarHBondContact O-N 3Å; S1051-L1053 PolarHBondContact OG-N 2.84Å; L1053-A1055 PolarHBondContact O-N 2.79Å
1054A82Confident83.5Confident15 Ų1563.8 Ų63.812%0.12436%0.361CS..PPolyproline II helixtrans-64125.1177.900000110.5V1050 S1051 E1052 T1058 V1096V1050-A1054 HydrophobicContact CG1-CB 3.7Å; S1051-A1054 WeakPolarHBondContact O-CB 3.21Å; S1051-A1054 PolarHBondContact O-N 2.72Å; E1052-A1054 PolarHBondContact O-N 2.98Å; E1052-A1054 VanDerWaalsContact O-N 3.14Å; A1054-T1058 HydrophobicContact CB-CG2 4.17Å; A1054-V1096 HydrophobicContact CB-CG2 4.3Å
1055A84.7Confident83.9Confident68 Ų6859.9 Ų59.956%0.56234%0.344SS*.PPolyproline II helixtrans-65.5152.3177.500000111.1L1053 G1057 T1058L1053-A1055 PolarHBondContact O-N 2.79Å; A1055-G1057 PolarHBondContact O-N 2.7Å; A1055-T1058 PolarHBondContact N-OG1 3.04Å; A1055-T1058 WeakPolarHBondContact O-CB 3.33Å; A1055-T1058 PolarHBondContact O-N 2.84Å; A1055-T1058 PolarHBondContact O-OG1 3.48Å
1056R85.5Confident83.7Confident189 Ų18962.2 Ų62.271%0.71337%0.366SS*.THydrogen-bonded Turntrans-54.5128.8172-171.1174.7-171.1-165.32.4109.9V1096 N1097R1056-V1096 CarbonylContact C-O 3.59Å; R1056-N1097 WeakPolarHBondContact CD-O 3.36Å; R1056-N1097 VanDerWaalsContact CG-O 3.31Å; R1056-N1097 WeakPolarHBondContact CG-O 3.31Å; R1056-N1097 PolarHBondContact NE-O 2.82Å; R1056-N1097 PolarHBondContact NE-OD1 3.16Å; R1056-N1097 PolarHBondContact NH2-OD1 2.94Å
1057G86Confident83.4Confident45 Ų4554.5 Ų54.546%0.46434%0.342SS..THydrogen-bonded Turntrans98-4.1-174.300000115A1055 V1059 V1096A1055-G1057 PolarHBondContact O-N 2.7Å; G1057-V1059 PolarHBondContact O-N 3.25Å; G1057-V1096 PolarHBondContact N-O 2.78Å
1058T88Confident82.9Confident55 Ų5558.1 Ų58.134%0.33736%0.359SS..  trans-62.1124175.9-57.40000110.4A1054 A1055 V1060 Y1095 V1096A1054-T1058 HydrophobicContact CB-CG2 4.17Å; A1055-T1058 PolarHBondContact N-OG1 3.04Å; A1055-T1058 WeakPolarHBondContact O-CB 3.33Å; A1055-T1058 PolarHBondContact O-N 2.84Å; A1055-T1058 PolarHBondContact O-OG1 3.48Å; T1058-V1060 PolarHBondContact O-N 3.23Å; T1058-Y1095 CarbonylContact O-C 3.56Å; T1058-Y1095 VanDerWaalsContact O-CA 3.23Å; T1058-Y1095 WeakPolarHBondContact O-CA 3.34Å; T1058-Y1095 WeakPolarHBondContact O-CB 3.11Å; T1058-V1096 PolarHBondContact O-N 3.04Å
1059V88.4Confident82.4Confident93 Ų9361.3 Ų61.356%0.56437%0.37SS*.EExtended strand (participates in β ladder)trans-70.9124.8178.4175.60000109.9G1057 V1093G1057-V1059 PolarHBondContact O-N 3.25Å; V1059-V1093 HydrophobicContact CB-CG1 4.42Å; V1059-V1093 HydrophobicContact CG1-CG1 3.78Å; V1059-V1093 HydrophobicContact CG2-CG1 3.91Å
1060V86.2Confident81.9Confident8 Ų859.4 Ų59.45%0.04835%0.354CS..EExtended strand (participates in β ladder)trans-92.9-47.3-179.2178.30000110.6P1047 V1050 T1058 F1085 I1094 V1096 I1134P1047-V1060 HydrophobicContact CB-CG1 4.19Å; P1047-V1060 WeakPolarHBondContact CB-O 3.42Å; P1047-V1060 HydrophobicContact CG-CG1 3.95Å; V1050-V1060 HydrophobicContact CG2-CB 4.18Å; V1050-V1060 HydrophobicContact CG2-CG1 3.67Å; V1050-V1060 HydrophobicContact CG2-CG2 3.9Å; T1058-V1060 PolarHBondContact O-N 3.23Å; V1060-F1085 HydrophobicContact CG2-CD1 3.91Å; V1060-F1085 HydrophobicContact CG2-CE1 3.87Å; V1060-I1094 HydrophobicContact CB-CG2 4.36Å; V1060-I1094 WeakPolarHBondContact CB-O 3.43Å; V1060-I1094 PolarHBondContact N-O 2.88Å; V1060-V1096 HydrophobicContact CG2-CG2 3.68Å; V1060-I1134 HydrophobicContact CG1-CB 4.27Å; V1060-I1134 HydrophobicContact CG1-CD1 3.76Å; V1060-I1134 HydrophobicContact CG1-CG1 3.72Å; V1060-I1134 HydrophobicContact CG1-CG2 3.53Å
1061G86.3Confident81.6Confident18 Ų1862.2 Ų62.219%0.18637%0.374CS..EExtended strand (participates in β ladder)trans-173.2172.5-178.500000111.2I1094G1061-I1094 PolarHBondContact N-O 2.76Å; G1061-I1094 PolarHBondContact O-N 2.61Å
1062V86.6Confident81.5Confident84 Ų8461.4 Ų61.451%0.50937%0.367SS..EExtended strand (participates in β ladder)trans-128.8126.7178-1710000108.1G1092 V1093V1062-G1092 WeakPolarHBondContact CA-O 3.35Å; V1062-V1093 HydrophobicContact CG1-CG2 4.19Å; V1062-V1093 HydrophobicContact CG2-CB 4.49Å; V1062-V1093 HydrophobicContact CG2-CG2 3.87Å
1063I86Confident81.4Confident4 Ų461.2 Ų61.22%0.02137%0.368CS..  trans-99.8149.4171.265.3179.4000109.4F1040 Y1045 Y1074 I1087 G1092 I1094 V1112F1040-I1063 HydrophobicContact CE1-CB 4.43Å; F1040-I1063 HydrophobicContact CE1-CD1 3.84Å; F1040-I1063 HydrophobicContact CE1-CG1 4.34Å; Y1045-I1063 HydrophobicContact CD1-CG2 4.05Å; Y1045-I1063 HydrophobicContact CD2-CB 4.39Å; Y1045-I1063 HydrophobicContact CD2-CG2 3.77Å; Y1045-I1063 HydrophobicContact CE1-CB 4.35Å; Y1045-I1063 HydrophobicContact CE1-CG2 4.35Å; Y1045-I1063 HydrophobicContact CE2-CB 4.19Å; Y1045-I1063 HydrophobicContact CE2-CG2 4.08Å; Y1045-I1063 HydrophobicContact CG-CG2 3.77Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.86Å; I1063-Y1074 HydrophobicContact CD1-CG 4.39Å; I1063-Y1074 HydrophobicContact CG1-CD1 3.99Å; I1063-Y1074 HydrophobicContact CG1-CE1 4.29Å; I1063-Y1074 HydrophobicContact CG1-CG 4.46Å; I1063-I1087 HydrophobicContact CD1-CD1 3.53Å; I1063-I1087 HydrophobicContact CG1-CD1 4.08Å; I1063-G1092 WeakPolarHBondContact CG1-O 3.28Å; I1063-G1092 PolarHBondContact N-O 2.91Å; I1063-I1094 HydrophobicContact CG2-CD1 4.04Å; I1063-V1112 HydrophobicContact CD1-CB 3.66Å; I1063-V1112 HydrophobicContact CD1-CG1 3.28Å; I1063-V1112 HydrophobicContact CD1-CG2 3.99Å
1064S83.7Confident81.6Confident49 Ų4955.3 Ų55.334%0.34334%0.336SS..  trans-140128.5176.961.10000110.3T1041 Y1045T1041-S1064 WeakPolarHBondContact CG2-OG 3.5Å; T1041-S1064 PolarHBondContact N-O 2.9Å; T1041-S1064 PolarHBondContact OG1-O 2.98Å; T1041-S1064 VanDerWaalsContact OG1-O 3.08Å; T1041-S1064 PolarHBondContact OG1-OG 2.79Å; Y1045-S1064 PolarHBondContact OH-O 3.19Å
1065A83Confident81.9Confident11 Ų1156.7 Ų56.79%0.09135%0.345CS..EExtended strand (participates in β ladder)trans-111.2157.8164.500000109.1P1038 R1039 F1040 I1072 Y1074 A1114P1038-A1065 HydrophobicContact CB-CB 4.34Å; R1039-A1065 CarbonylContact O-C 3.57Å; R1039-A1065 WeakPolarHBondContact O-CA 3.29Å; R1039-A1065 WeakPolarHBondContact O-CB 3.45Å; F1040-A1065 HydrophobicContact CD1-CB 3.89Å; F1040-A1065 HydrophobicContact CE1-CB 4.14Å; F1040-A1065 HydrophobicContact CG-CB 4.16Å; A1065-I1072 HydrophobicContact CB-CD1 3.96Å; A1065-I1072 HydrophobicContact CB-CG2 4.32Å; A1065-I1072 WeakPolarHBondContact O-CD1 3.24Å; A1065-Y1074 HydrophobicContact CB-CE1 3.85Å; A1065-Y1074 PolarHBondContact N-OH 2.95Å; A1065-Y1074 PolarHBondContact O-OH 2.81Å; A1065-A1114 HydrophobicContact CB-CB 3.67Å
1066A75.8Confident81.9Confident63 Ų6355.3 Ų55.352%0.52133%0.327SS..EExtended strand (participates in β ladder)trans-131.1139.1175.400000110R1039R1039-A1066 PolarHBondContact N-O 3.5Å; R1039-A1066 PolarHBondContact O-N 2.88Å
1067A75Confident81.8Confident19 Ų1949.4 Ų49.416%0.15731%0.312CS..  trans-138.9143.4171.400000106.8P1038 N1069 Q1070 I1072P1038-A1067 HydrophobicContact CB-CB 4.48Å; P1038-A1067 HydrophobicContact CG-CB 4.24Å; A1067-N1069 PolarHBondContact O-N 3.41Å; A1067-Q1070 HydrophobicContact CB-CB 4.1Å; A1067-I1072 HydrophobicContact CB-CD1 4.18Å; A1067-I1072 HydrophobicContact CB-CG1 4.42Å
1068I71.5Confident81.6Confident99 Ų9949.4 Ų49.451%0.50831%0.308SS..THydrogen-bonded Turntrans-64.1123.9-179.7-63.8177.6000108.7G1035 Q1070G1035-I1068 WeakPolarHBondContact O-CG1 3.26Å; G1035-I1068 PolarHBondContact O-N 2.84Å; I1068-Q1070 PolarHBondContact O-N 3.13Å; I1068-Q1070 VanDerWaalsContact O-N 3.1Å
1069N70.3Confident81.3Confident164 Ų16447.3 Ų47.388%0.87730%0.297SS*.THydrogen-bonded Turntrans5622.8173.9-63.3-22.3000116.1A1067A1067-N1069 PolarHBondContact O-N 3.41Å
1070Q71.1Confident81.3Confident42 Ų4243.8 Ų43.820%0.19628%0.275CS..  trans-123.9141.7179.9-69.8-179-13.100111.7E1036 A1067 I1068 S1116E1036-Q1070 PolarHBondContact O-OE1 3.34Å; A1067-Q1070 HydrophobicContact CB-CB 4.1Å; I1068-Q1070 PolarHBondContact O-N 3.13Å; I1068-Q1070 VanDerWaalsContact O-N 3.1Å; Q1070-S1116 PolarHBondContact OE1-OG 2.84Å
1071S78Confident81.1Confident69 Ų6949.7 Ų49.748%0.48330%0.302SS..  trans-80.9131.9168.346.30000109.4L1117S1071-L1117 WeakPolarHBondContact O-CB 3.36Å; S1071-L1117 PolarHBondContact O-N 3.49Å; S1071-L1117 WeakPolarHBondContact OG-CB 3.09Å; S1071-L1117 VanDerWaalsContact OG-CD2 3.29Å; S1071-L1117 WeakPolarHBondContact OG-CD2 3.49Å
1072I78.9Confident80.8Confident22 Ų2254.2 Ų54.211%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-102.3137.8-174.8-65.5166000109.7P1038 A1065 A1067 Y1074 A1114 D1115P1038-I1072 HydrophobicContact CB-CD1 4.2Å; P1038-I1072 HydrophobicContact CB-CG1 4.35Å; P1038-I1072 HydrophobicContact CG-CG1 4.4Å; A1065-I1072 HydrophobicContact CB-CD1 3.96Å; A1065-I1072 HydrophobicContact CB-CG2 4.32Å; A1065-I1072 WeakPolarHBondContact O-CD1 3.24Å; A1067-I1072 HydrophobicContact CB-CD1 4.18Å; A1067-I1072 HydrophobicContact CB-CG1 4.42Å; I1072-Y1074 HydrophobicContact CB-CE2 4.47Å; I1072-Y1074 HydrophobicContact CG2-CD1 4.25Å; I1072-Y1074 HydrophobicContact CG2-CD2 4.45Å; I1072-Y1074 HydrophobicContact CG2-CE1 3.77Å; I1072-Y1074 HydrophobicContact CG2-CE2 3.99Å; I1072-A1114 HydrophobicContact CG2-CB 3.73Å; I1072-D1115 CarbonylContact C-O 3.55Å; I1072-D1115 WeakPolarHBondContact CA-O 3.27Å
1073V82Confident80.8Confident28 Ų2855.1 Ų55.117%0.1732%0.32CS..EExtended strand (participates in β ladder)trans-111126.5173.6-173.50000108.8N1089 A1114 D1115 L1117V1073-N1089 CarbonylContact C-O 3.56Å; V1073-N1089 VanDerWaalsContact CA-O 3.29Å; V1073-N1089 WeakPolarHBondContact CA-O 3.22Å; V1073-N1089 HydrophobicContact CG1-CB 4Å; V1073-A1114 WeakPolarHBondContact O-CA 3.32Å; V1073-D1115 PolarHBondContact N-O 3.32Å; V1073-D1115 PolarHBondContact O-N 3.39Å; V1073-L1117 HydrophobicContact CG2-CB 4.09Å; V1073-L1117 HydrophobicContact CG2-CD1 3.44Å; V1073-L1117 VanDerWaalsContact CG2-CD1 3.44Å; V1073-L1117 HydrophobicContact CG2-CG 4.38Å
1074Y85.3Confident80.8Confident17 Ų1756.9 Ų56.97%0.06733%0.327CS..EExtended strand (participates in β ladder)trans-99.8140.4178-55.1-84.5000111.4F1040 I1063 A1065 I1072 N1089 Q1113 A1114F1040-Y1074 AromaticContact CE1-CD1 3.95Å; F1040-Y1074 HydrophobicContact CE1-CD1 3.95Å; F1040-Y1074 AromaticContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CE1-CE1 3.89Å; F1040-Y1074 HydrophobicContact CZ-CD1 4.35Å; I1063-Y1074 HydrophobicContact CD1-CD1 3.86Å; I1063-Y1074 HydrophobicContact CD1-CG 4.39Å; I1063-Y1074 HydrophobicContact CG1-CD1 3.99Å; I1063-Y1074 HydrophobicContact CG1-CE1 4.29Å; I1063-Y1074 HydrophobicContact CG1-CG 4.46Å; A1065-Y1074 HydrophobicContact CB-CE1 3.85Å; A1065-Y1074 PolarHBondContact N-OH 2.95Å; A1065-Y1074 PolarHBondContact O-OH 2.81Å; I1072-Y1074 HydrophobicContact CB-CE2 4.47Å; I1072-Y1074 HydrophobicContact CG2-CD1 4.25Å; I1072-Y1074 HydrophobicContact CG2-CD2 4.45Å; I1072-Y1074 HydrophobicContact CG2-CE1 3.77Å; I1072-Y1074 HydrophobicContact CG2-CE2 3.99Å; Y1074-N1089 PolarHBondContact N-O 2.63Å; Y1074-N1089 WeakPolarHBondContact O-CA 3.34Å; Y1074-N1089 WeakPolarHBondContact O-CB 3.3Å; Y1074-Q1113 WeakPolarHBondContact CA-O 3.44Å; Y1074-A1114 HydrophobicContact CD1-CB 4.08Å; Y1074-A1114 HydrophobicContact CE1-CB 4.07Å
1075S86.6Confident81.2Confident44 Ų4454.6 Ų54.631%0.30831%0.312SS..EExtended strand (participates in β ladder)trans-145141.4173.260.40000111.4V1112 Q1113S1075-V1112 WeakPolarHBondContact O-CA 3.31Å; S1075-V1112 WeakPolarHBondContact O-CG1 3.34Å; S1075-Q1113 PolarHBondContact N-O 2.86Å; S1075-Q1113 PolarHBondContact O-N 3.37Å
1076I86Confident81.5Confident39 Ų3954.6 Ų54.620%0.231%0.313CS..EExtended strand (participates in β ladder)trans-80124.3171.9-61.3163.4000107.6N1080 I1087 L1110 V1112I1076-N1080 HydrophobicContact CG2-CB 3.69Å; I1076-I1087 HydrophobicContact CD1-CB 3.99Å; I1076-I1087 HydrophobicContact CD1-CG2 4.01Å; I1076-I1087 HydrophobicContact CG1-CB 4.09Å; I1076-I1087 HydrophobicContact CG1-CG2 3.79Å; I1076-L1110 HydrophobicContact CD1-CD1 4.23Å; I1076-V1112 HydrophobicContact CG1-CG1 4.47Å; I1076-V1112 HydrophobicContact CG1-CG2 4.46Å
1077V83.2Confident82.3Confident65 Ų6553 Ų5339%0.39430%0.295SS..EExtended strand (participates in β ladder)trans-108.5-17.4-176.4-68.40000113.7R1111 Q1113V1077-R1111 HydrophobicContact CG2-CB 4.15Å; V1077-R1111 HydrophobicContact CG2-CG 3.99Å; V1077-R1111 VanDerWaalsContact CG2-O 3.3Å; V1077-R1111 WeakPolarHBondContact CG2-O 3.47Å; V1077-R1111 PolarHBondContact N-O 2.84Å; V1077-Q1113 HydrophobicContact CG1-CB 3.6Å; V1077-Q1113 HydrophobicContact CG1-CG 4.47Å; V1077-Q1113 HydrophobicContact CG2-CB 4.21Å
1078A81.9Confident82.9Confident45 Ų4555.2 Ų55.237%0.37230%0.304SS..EExtended strand (participates in β ladder)trans-161.3163.6174.100000111.9R1111A1078-R1111 HydrophobicContact CB-CB 4.02Å; A1078-R1111 PolarHBondContact N-O 3.36Å; A1078-R1111 PolarHBondContact O-N 3.36Å
1079G82.4Confident83.6Confident10 Ų1054.7 Ų54.710%0.10330%0.303CS..SBendtrans87.23.7174.700000115.3E1081 V1109 L1110G1079-E1081 VanDerWaalsContact C-OE2 3.32Å; G1079-E1081 VanDerWaalsContact CA-OE1 3.22Å; G1079-E1081 WeakPolarHBondContact CA-OE1 3.32Å; G1079-E1081 PolarHBondContact N-OE1 2.78Å; G1079-V1109 WeakPolarHBondContact CA-O 3.38Å; G1079-L1110 WeakPolarHBondContact O-CD2 3.44Å
1080N87.7Confident84.2Confident20 Ų2052 Ų5211%0.10729%0.291CS..  trans-126.741.1-178.8-165.148.4000111.4I1076 E1082 D1083 K1084 F1085 L1110I1076-N1080 HydrophobicContact CG2-CB 3.69Å; N1080-E1082 PolarHBondContact O-N 3.02Å; N1080-D1083 PolarHBondContact O-N 3.03Å; N1080-K1084 PolarHBondContact OD1-N 2.87Å; N1080-F1085 PolarHBondContact ND2-O 2.82Å; N1080-F1085 PolarHBondContact OD1-N 2.92Å; N1080-L1110 HydrophobicContact CB-CD2 3.89Å
1081E80.8Confident84.9Confident132 Ų13253.3 Ų53.362%0.61730%0.303SS*.THydrogen-bonded Turntrans-62.7-25.1-172.4-58.874.5-157.900113G1079 R1105G1079-E1081 VanDerWaalsContact C-OE2 3.32Å; G1079-E1081 VanDerWaalsContact CA-OE1 3.22Å; G1079-E1081 WeakPolarHBondContact CA-OE1 3.32Å; G1079-E1081 PolarHBondContact N-OE1 2.78Å; E1081-R1105 IonicContact OE2-NH1 2.64Å
1082E81.1Confident85.2Confident113 Ų11350 Ų5053%0.52828%0.28SS..THydrogen-bonded Turntrans-97.912.1178-66.2178.1-157.600113.4N1080 K1084N1080-E1082 PolarHBondContact O-N 3.02Å; E1082-K1084 HydrophobicContact CB-CD 4.28Å; E1082-K1084 HydrophobicContact CB-CG 3.87Å; E1082-K1084 PolarHBondContact O-N 3.31Å; E1082-K1084 WeakPolarHBondContact OE2-CE 3.47Å; E1082-K1084 IonicContact OE2-NZ 2.69Å
1083D86.5Confident85.7Confident103 Ų10350.5 Ų50.555%0.55128%0.284SS*.  trans49.135.1-179.5-70.3-40.4000114.2N1080 F1085 N1097 S1098N1080-D1083 PolarHBondContact O-N 3.03Å; D1083-F1085 VanDerWaalsContact C-N 3.28Å; D1083-F1085 PolarHBondContact O-N 2.79Å; D1083-N1097 PolarHBondContact O-ND2 3.47Å; D1083-N1097 VanDerWaalsContact O-ND2 3.15Å; D1083-S1098 PolarHBondContact O-OG 3.02Å
1084K86.5Confident86Confident40 Ų4049.4 Ų49.417%0.17428%0.277CS..  trans-67.6-31.1-179.2-63.9-62.2-171.6174.50112.3N1080 E1082 N1097 S1098 P1099 L1100 Y1108N1080-K1084 PolarHBondContact OD1-N 2.87Å; E1082-K1084 HydrophobicContact CB-CD 4.28Å; E1082-K1084 HydrophobicContact CB-CG 3.87Å; E1082-K1084 PolarHBondContact O-N 3.31Å; E1082-K1084 WeakPolarHBondContact OE2-CE 3.47Å; E1082-K1084 IonicContact OE2-NZ 2.69Å; K1084-N1097 PolarHBondContact O-N 2.94Å; K1084-S1098 PolarHBondContact O-N 2.71Å; K1084-S1098 VanDerWaalsContact O-N 3.15Å; K1084-P1099 PolarHBondContact NZ-O 3.25Å; K1084-L1100 HydrophobicContact CB-CD2 4.23Å; K1084-Y1108 HydrophobicContact CB-CE1 4.17Å; K1084-Y1108 HydrophobicContact CG-CE1 3.89Å
1085F91.2Very high86.3Confident2 Ų252.3 Ų52.31%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-118.1144.5179.3-57.2-82.4000110.9V1060 N1080 D1083 I1094 Y1095 V1096 L1100 Y1108 L1110 I1134V1060-F1085 HydrophobicContact CG2-CD1 3.91Å; V1060-F1085 HydrophobicContact CG2-CE1 3.87Å; N1080-F1085 PolarHBondContact ND2-O 2.82Å; N1080-F1085 PolarHBondContact OD1-N 2.92Å; D1083-F1085 VanDerWaalsContact C-N 3.28Å; D1083-F1085 PolarHBondContact O-N 2.79Å; F1085-I1094 HydrophobicContact CB-CG2 4.04Å; F1085-I1094 HydrophobicContact CD1-CG2 4.34Å; F1085-I1094 HydrophobicContact CG-CG2 4.47Å; F1085-Y1095 CarbonylContact C-O 3.56Å; F1085-Y1095 VanDerWaalsContact CA-O 3.31Å; F1085-Y1095 WeakPolarHBondContact CA-O 3.48Å; F1085-V1096 HydrophobicContact CE1-CG2 4.42Å; F1085-L1100 HydrophobicContact CE1-CD1 4.29Å; F1085-L1100 HydrophobicContact CE1-CD2 4.17Å; F1085-L1100 HydrophobicContact CE2-CD2 4.19Å; F1085-L1100 HydrophobicContact CZ-CD1 4.31Å; F1085-L1100 HydrophobicContact CZ-CD2 3.64Å; F1085-Y1108 HydrophobicContact CD2-CD1 4.37Å; F1085-Y1108 HydrophobicContact CD2-CG 4.35Å; F1085-Y1108 AromaticContact CE2-CD1 3.67Å; F1085-Y1108 HydrophobicContact CE2-CD1 3.67Å; F1085-Y1108 AromaticContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CE1 4.07Å; F1085-Y1108 AromaticContact CE2-CE2 3.98Å; F1085-Y1108 HydrophobicContact CE2-CE2 3.98Å; F1085-Y1108 AromaticContact CE2-CG 3.37Å; F1085-Y1108 HydrophobicContact CE2-CG 3.37Å; F1085-Y1108 AromaticContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CE2 4.17Å; F1085-Y1108 HydrophobicContact CZ-CG 4.04Å; F1085-L1110 HydrophobicContact CB-CD1 3.95Å; F1085-L1110 HydrophobicContact CD2-CD1 4.16Å; F1085-L1110 HydrophobicContact CD2-CD2 4.21Å; F1085-L1110 HydrophobicContact CG-CD1 4.08Å; F1085-I1134 HydrophobicContact CD1-CD1 3.95Å; F1085-I1134 HydrophobicContact CD2-CD1 4.32Å; F1085-I1134 HydrophobicContact CE1-CD1 3.89Å; F1085-I1134 HydrophobicContact CE1-CG2 4.14Å; F1085-I1134 HydrophobicContact CE2-CD1 4.3Å; F1085-I1134 HydrophobicContact CG-CD1 4.16Å; F1085-I1134 HydrophobicContact CZ-CD1 4.06Å; F1085-I1134 HydrophobicContact CZ-CG2 4.09Å
1086G89.9Confident86.5Confident11 Ų1150.2 Ų50.211%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-109.6152.6166.900000109.7I1094 Y1095G1086-I1094 CarbonylContact O-C 3.15Å; G1086-I1094 VanDerWaalsContact O-CA 3.31Å; G1086-I1094 WeakPolarHBondContact O-CA 3.34Å; G1086-Y1095 PolarHBondContact N-O 3.19Å; G1086-Y1095 WeakPolarHBondContact O-CD1 3.26Å; G1086-Y1095 PolarHBondContact O-N 2.84Å
1087I91.4Very high86.7Confident29 Ų2950 Ų5015%0.14927%0.273CS..EExtended strand (participates in β ladder)trans-120.7132170-169.2166000109.7I1063 I1076 N1089 V1093 I1094 V1112I1063-I1087 HydrophobicContact CD1-CD1 3.53Å; I1063-I1087 HydrophobicContact CG1-CD1 4.08Å; I1076-I1087 HydrophobicContact CD1-CB 3.99Å; I1076-I1087 HydrophobicContact CD1-CG2 4.01Å; I1076-I1087 HydrophobicContact CG1-CB 4.09Å; I1076-I1087 HydrophobicContact CG1-CG2 3.79Å; I1087-N1089 PolarHBondContact O-N 2.81Å; I1087-V1093 CarbonylContact C-O 3.52Å; I1087-V1093 WeakPolarHBondContact CA-O 3.44Å; I1087-I1094 HydrophobicContact CB-CG1 4.38Å; I1087-I1094 HydrophobicContact CD1-CD1 4.48Å; I1087-I1094 HydrophobicContact CD1-CG1 3.93Å; I1087-I1094 HydrophobicContact CG1-CG1 4.03Å; I1087-V1112 HydrophobicContact CD1-CG1 3.65Å
1088N88.5Confident86.8Confident66 Ų6648.5 Ų48.535%0.35327%0.265SS..  trans-74.1114.9167.5-176.9-42.2000108.4V1090 T1091 G1092 V1093N1088-V1090 PolarHBondContact O-N 2.86Å; N1088-V1090 PolarHBondContact OD1-N 2.78Å; N1088-T1091 WeakPolarHBondContact CB-OG1 3.45Å; N1088-T1091 PolarHBondContact ND2-OG1 2.8Å; N1088-T1091 PolarHBondContact O-N 2.83Å; N1088-T1091 PolarHBondContact OD1-N 2.95Å; N1088-T1091 VanDerWaalsContact OD1-N 3.16Å; N1088-T1091 PolarHBondContact OD1-OG1 2.74Å; N1088-G1092 WeakPolarHBondContact O-CA 3.35Å; N1088-G1092 PolarHBondContact O-N 2.84Å; N1088-V1093 HydrophobicContact CB-CB 4.34Å; N1088-V1093 PolarHBondContact N-O 3.45Å
1089N85.8Confident86.9Confident88 Ų8851.2 Ų51.247%0.47128%0.279SS..THydrogen-bonded Turntrans-64.4-19.4-172.264.7-10.9000114.2V1073 Y1074 I1087V1073-N1089 CarbonylContact C-O 3.56Å; V1073-N1089 VanDerWaalsContact CA-O 3.29Å; V1073-N1089 WeakPolarHBondContact CA-O 3.22Å; V1073-N1089 HydrophobicContact CG1-CB 4Å; Y1074-N1089 PolarHBondContact N-O 2.63Å; Y1074-N1089 WeakPolarHBondContact O-CA 3.34Å; Y1074-N1089 WeakPolarHBondContact O-CB 3.3Å; I1087-N1089 PolarHBondContact O-N 2.81Å
1090V83.2Confident87Confident106 Ų10651.2 Ų51.264%0.64228%0.276SS*.THydrogen-bonded Turntrans-99-42.6177.2-178.40000111.7N1088N1088-V1090 PolarHBondContact O-N 2.86Å; N1088-V1090 PolarHBondContact OD1-N 2.78Å
1091T84.9Confident86.7Confident71 Ų7153.2 Ų53.244%0.43629%0.287SS..THydrogen-bonded Turntrans-91.1-13.4-172.964.90000114N1088 V1093N1088-T1091 WeakPolarHBondContact CB-OG1 3.45Å; N1088-T1091 PolarHBondContact ND2-OG1 2.8Å; N1088-T1091 PolarHBondContact O-N 2.83Å; N1088-T1091 PolarHBondContact OD1-N 2.95Å; N1088-T1091 VanDerWaalsContact OD1-N 3.16Å; N1088-T1091 PolarHBondContact OD1-OG1 2.74Å; T1091-V1093 PolarHBondContact O-N 2.91Å; T1091-V1093 VanDerWaalsContact OG1-CG2 3.28Å; T1091-V1093 WeakPolarHBondContact OG1-CG2 3.36Å
1092G84.8Confident86.7Confident0 Ų050.5 Ų50.50%027%0.272CS..  trans71.111.2-176.600000113.8V1062 I1063 N1088 I1094V1062-G1092 WeakPolarHBondContact CA-O 3.35Å; I1063-G1092 WeakPolarHBondContact CG1-O 3.28Å; I1063-G1092 PolarHBondContact N-O 2.91Å; N1088-G1092 WeakPolarHBondContact O-CA 3.35Å; N1088-G1092 PolarHBondContact O-N 2.84Å; G1092-I1094 PolarHBondContact O-N 3.15Å
1093V89.2Confident86.7Confident32 Ų3250.7 Ų50.719%0.19427%0.273CS..EExtended strand (participates in β ladder)trans-75.9119.4179.2177.70000109.8V1059 V1062 I1087 N1088 T1091V1059-V1093 HydrophobicContact CB-CG1 4.42Å; V1059-V1093 HydrophobicContact CG1-CG1 3.78Å; V1059-V1093 HydrophobicContact CG2-CG1 3.91Å; V1062-V1093 HydrophobicContact CG1-CG2 4.19Å; V1062-V1093 HydrophobicContact CG2-CB 4.49Å; V1062-V1093 HydrophobicContact CG2-CG2 3.87Å; I1087-V1093 CarbonylContact C-O 3.52Å; I1087-V1093 WeakPolarHBondContact CA-O 3.44Å; N1088-V1093 HydrophobicContact CB-CB 4.34Å; N1088-V1093 PolarHBondContact N-O 3.45Å; T1091-V1093 PolarHBondContact O-N 2.91Å; T1091-V1093 VanDerWaalsContact OG1-CG2 3.28Å; T1091-V1093 WeakPolarHBondContact OG1-CG2 3.36Å
1094I89.8Confident86.4Confident4 Ų450.9 Ų50.92%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-92128.3171.8-57.5174.4000108.2V1060 G1061 I1063 F1085 G1086 I1087 G1092 L1110 V1112 I1134V1060-I1094 HydrophobicContact CB-CG2 4.36Å; V1060-I1094 WeakPolarHBondContact CB-O 3.43Å; V1060-I1094 PolarHBondContact N-O 2.88Å; G1061-I1094 PolarHBondContact N-O 2.76Å; G1061-I1094 PolarHBondContact O-N 2.61Å; I1063-I1094 HydrophobicContact CG2-CD1 4.04Å; F1085-I1094 HydrophobicContact CB-CG2 4.04Å; F1085-I1094 HydrophobicContact CD1-CG2 4.34Å; F1085-I1094 HydrophobicContact CG-CG2 4.47Å; G1086-I1094 CarbonylContact O-C 3.15Å; G1086-I1094 VanDerWaalsContact O-CA 3.31Å; G1086-I1094 WeakPolarHBondContact O-CA 3.34Å; I1087-I1094 HydrophobicContact CB-CG1 4.38Å; I1087-I1094 HydrophobicContact CD1-CD1 4.48Å; I1087-I1094 HydrophobicContact CD1-CG1 3.93Å; I1087-I1094 HydrophobicContact CG1-CG1 4.03Å; G1092-I1094 PolarHBondContact O-N 3.15Å; I1094-L1110 HydrophobicContact CD1-CD1 4.39Å; I1094-L1110 HydrophobicContact CG2-CD1 4.02Å; I1094-V1112 HydrophobicContact CD1-CG2 4.47Å; I1094-I1134 HydrophobicContact CG2-CD1 4.26Å
1095Y91.3Very high86Confident78 Ų7852.9 Ų52.931%0.30628%0.284SS..EExtended strand (participates in β ladder)trans-134157.5-178.163-89.4000111.9T1058 F1085 G1086 N1097T1058-Y1095 CarbonylContact O-C 3.56Å; T1058-Y1095 VanDerWaalsContact O-CA 3.23Å; T1058-Y1095 WeakPolarHBondContact O-CA 3.34Å; T1058-Y1095 WeakPolarHBondContact O-CB 3.11Å; F1085-Y1095 CarbonylContact C-O 3.56Å; F1085-Y1095 VanDerWaalsContact CA-O 3.31Å; F1085-Y1095 WeakPolarHBondContact CA-O 3.48Å; G1086-Y1095 PolarHBondContact N-O 3.19Å; G1086-Y1095 WeakPolarHBondContact O-CD1 3.26Å; G1086-Y1095 PolarHBondContact O-N 2.84Å; Y1095-N1097 HydrophobicContact CE2-CB 4.28Å; Y1095-N1097 PolarHBondContact O-N 2.89Å
1096V89.7Confident85.6Confident0 Ų056.4 Ų56.40%031%0.306CS..EExtended strand (participates in β ladder)trans-68.5114.7175.6-179.40000109.2V1050 A1054 R1056 G1057 T1058 V1060 F1085 S1098 L1100V1050-V1096 HydrophobicContact CG1-CG2 3.85Å; A1054-V1096 HydrophobicContact CB-CG2 4.3Å; R1056-V1096 CarbonylContact C-O 3.59Å; G1057-V1096 PolarHBondContact N-O 2.78Å; T1058-V1096 PolarHBondContact O-N 3.04Å; V1060-V1096 HydrophobicContact CG2-CG2 3.68Å; F1085-V1096 HydrophobicContact CE1-CG2 4.42Å; V1096-S1098 WeakPolarHBondContact CG1-O 3.25Å; V1096-L1100 HydrophobicContact CG1-CD1 4.22Å; V1096-L1100 HydrophobicContact CG1-CG 4.1Å; V1096-L1100 HydrophobicContact CG2-CD1 3.88Å
1097N90.6Very high85.3Confident35 Ų3558.3 Ų58.319%0.18732%0.318CS..  trans-96.3-25.2178.5-175.242.5000112.4R1056 D1083 K1084 Y1095R1056-N1097 WeakPolarHBondContact CD-O 3.36Å; R1056-N1097 VanDerWaalsContact CG-O 3.31Å; R1056-N1097 WeakPolarHBondContact CG-O 3.31Å; R1056-N1097 PolarHBondContact NE-O 2.82Å; R1056-N1097 PolarHBondContact NE-OD1 3.16Å; R1056-N1097 PolarHBondContact NH2-OD1 2.94Å; D1083-N1097 PolarHBondContact O-ND2 3.47Å; D1083-N1097 VanDerWaalsContact O-ND2 3.15Å; K1084-N1097 PolarHBondContact O-N 2.94Å; Y1095-N1097 HydrophobicContact CE2-CB 4.28Å; Y1095-N1097 PolarHBondContact O-N 2.89Å
1098S86Confident84.9Confident33 Ų3357.1 Ų57.123%0.23131%0.312CS..SBendtrans-139.7157.2180-58.50000110.9D1083 K1084 V1096 L1100D1083-S1098 PolarHBondContact O-OG 3.02Å; K1084-S1098 PolarHBondContact O-N 2.71Å; K1084-S1098 VanDerWaalsContact O-N 3.15Å; V1096-S1098 WeakPolarHBondContact CG1-O 3.25Å; S1098-L1100 PolarHBondContact O-N 3.4Å
1099P83.5Confident84.8Confident103 Ų10357.3 Ų57.367%0.66932%0.315SS*.  trans-54.3134.9179.8-22.331.8000111.8K1084K1084-P1099 PolarHBondContact NZ-O 3.25Å
1100L83.8Confident84.8Confident9 Ų953.1 Ų53.15%0.04729%0.292CS..  trans-95.4138176.7-63.1173.9000108.5V1050 E1052 K1084 F1085 V1096 S1098 Y1108V1050-L1100 HydrophobicContact CB-CD1 4.14Å; V1050-L1100 HydrophobicContact CG1-CD1 3.63Å; E1052-L1100 CarbonylContact C-O 3.5Å; E1052-L1100 WeakPolarHBondContact CB-O 3.29Å; K1084-L1100 HydrophobicContact CB-CD2 4.23Å; F1085-L1100 HydrophobicContact CE1-CD1 4.29Å; F1085-L1100 HydrophobicContact CE1-CD2 4.17Å; F1085-L1100 HydrophobicContact CE2-CD2 4.19Å; F1085-L1100 HydrophobicContact CZ-CD1 4.31Å; F1085-L1100 HydrophobicContact CZ-CD2 3.64Å; V1096-L1100 HydrophobicContact CG1-CD1 4.22Å; V1096-L1100 HydrophobicContact CG1-CG 4.1Å; V1096-L1100 HydrophobicContact CG2-CD1 3.88Å; S1098-L1100 PolarHBondContact O-N 3.4Å; L1100-Y1108 HydrophobicContact CD2-CE2 4.06Å
1101D82.4Confident84.9Confident63 Ų6353.4 Ų53.434%0.33728%0.282SS..  trans-127.5114.3178.617128.4000107E1103 T1104 R1105D1101-E1103 VanDerWaalsContact C-N 3.29Å; D1101-E1103 PolarHBondContact O-N 3.1Å; D1101-E1103 PolarHBondContact OD1-N 2.92Å; D1101-T1104 VanDerWaalsContact CB-OG1 3.29Å; D1101-T1104 WeakPolarHBondContact CB-OG1 3.04Å; D1101-T1104 PolarHBondContact O-OG1 3.38Å; D1101-T1104 VanDerWaalsContact O-OG1 3.14Å; D1101-T1104 WeakPolarHBondContact OD2-CB 3.17Å; D1101-T1104 VanDerWaalsContact OD2-CG2 3.28Å; D1101-T1104 WeakPolarHBondContact OD2-CG2 3.34Å; D1101-T1104 PolarHBondContact OD2-OG1 3.06Å; D1101-R1105 PolarHBondContact O-N 3.12Å
1102Y80.4Confident84.9Confident75 Ų7550 Ų5029%0.29426%0.261SS..THydrogen-bonded Turntrans-71.8-29.9-172.4176.3-83.7000111.4E1052 T1104 T1106 C1136 W1138E1052-Y1102 WeakPolarHBondContact OE2-CB 3.27Å; E1052-Y1102 PolarHBondContact OE2-N 2.76Å; Y1102-T1104 VanDerWaalsContact C-N 3.29Å; Y1102-T1104 PolarHBondContact O-N 3.4Å; Y1102-T1106 HydrophobicContact CD1-CG2 4.25Å; Y1102-T1106 HydrophobicContact CD2-CG2 4.44Å; Y1102-T1106 HydrophobicContact CE1-CG2 3.98Å; Y1102-T1106 HydrophobicContact CE2-CG2 4.11Å; Y1102-C1136 HydrophobicContact CD2-CB 3.68Å; Y1102-C1136 HydrophobicContact CE2-CB 4.47Å; Y1102-C1136 WeakPolarHBondContact CE2-O 3.39Å; Y1102-W1138 AromaticContact CD1-CD1 2.91Å; Y1102-W1138 AromaticContact CD1-CG 3.99Å; Y1102-W1138 HydrophobicContact CD1-CG 3.99Å; Y1102-W1138 AromaticContact CD1-NE1 3.15Å; Y1102-W1138 AromaticContact CE1-CD1 3.44Å; Y1102-W1138 VanDerWaalsContact CE1-CD1 3.44Å; Y1102-W1138 HydrophobicContact CE1-CG 4.15Å; Y1102-W1138 AromaticContact CE1-NE1 3.86Å; Y1102-W1138 AromaticContact CG-CD1 3.24Å; Y1102-W1138 HydrophobicContact CG-CG 4.39Å; Y1102-W1138 AromaticContact CG-NE1 3.75Å
1103E80.8Confident84.8Confident116 Ų11650.7 Ų50.754%0.54226%0.264SS..THydrogen-bonded Turntrans-66.3-33.3-177.5-76.580.3141.600111.5D1101 W1138D1101-E1103 VanDerWaalsContact C-N 3.29Å; D1101-E1103 PolarHBondContact O-N 3.1Å; D1101-E1103 PolarHBondContact OD1-N 2.92Å; E1103-W1138 HydrophobicContact CG-CZ2 4.17Å; E1103-W1138 WeakPolarHBondContact OE1-CZ2 3.44Å; E1103-W1138 PolarHBondContact OE2-NE1 2.93Å
1104T80.3Confident84.2Confident108 Ų10849.1 Ų49.166%0.66326%0.255SS*.THydrogen-bonded Turntrans-85.3-41.6177.236.70000112.8D1101 Y1102D1101-T1104 VanDerWaalsContact CB-OG1 3.29Å; D1101-T1104 WeakPolarHBondContact CB-OG1 3.04Å; D1101-T1104 PolarHBondContact O-OG1 3.38Å; D1101-T1104 VanDerWaalsContact O-OG1 3.14Å; D1101-T1104 WeakPolarHBondContact OD2-CB 3.17Å; D1101-T1104 VanDerWaalsContact OD2-CG2 3.28Å; D1101-T1104 WeakPolarHBondContact OD2-CG2 3.34Å; D1101-T1104 PolarHBondContact OD2-OG1 3.06Å; Y1102-T1104 VanDerWaalsContact C-N 3.29Å; Y1102-T1104 PolarHBondContact O-N 3.4Å
1105R78.8Confident83.5Confident81 Ų8149.4 Ų49.431%0.30626%0.256SS..  trans-150110.1-177.7-165.2162.5178.4-179.81.9112.1E1081 D1101 S1107 Y1108E1081-R1105 IonicContact OE2-NH1 2.64Å; D1101-R1105 PolarHBondContact O-N 3.12Å; R1105-S1107 WeakPolarHBondContact CG-O 3.4Å; R1105-S1107 PolarHBondContact NE-O 3.31Å; R1105-S1107 PolarHBondContact O-N 2.81Å; R1105-Y1108 HydrophobicContact CB-CE2 4.27Å; R1105-Y1108 HydrophobicContact CG-CE1 4.26Å; R1105-Y1108 HydrophobicContact CG-CE2 4.14Å
1106T81.8Confident82.5Confident77 Ų7745.9 Ų45.947%0.47224%0.243SC..SBendtrans-77.6-18.1-175.8590000114.3Y1102 C1136Y1102-T1106 HydrophobicContact CD1-CG2 4.25Å; Y1102-T1106 HydrophobicContact CD2-CG2 4.44Å; Y1102-T1106 HydrophobicContact CE1-CG2 3.98Å; Y1102-T1106 HydrophobicContact CE2-CG2 4.11Å; T1106-C1136 PolarHBondContact O-N 2.88Å
1107S83.6Confident81.3Confident51 Ų5149.6 Ų49.636%0.35726%0.262SS..EExtended strand (participates in β ladder)trans-156.6154.417761.70000113.2R1105 I1134R1105-S1107 WeakPolarHBondContact CG-O 3.4Å; R1105-S1107 PolarHBondContact NE-O 3.31Å; R1105-S1107 PolarHBondContact O-N 2.81Å; S1107-I1134 CarbonylContact C-O 3.6Å; S1107-I1134 VanDerWaalsContact CA-O 3.26Å; S1107-I1134 WeakPolarHBondContact CA-O 3.29Å
1108Y84.8Confident80Confident4 Ų454.7 Ų54.72%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-123139.6176.8-66.3-100.1000110.3K1084 F1085 L1100 R1105 V1133 I1134K1084-Y1108 HydrophobicContact CB-CE1 4.17Å; K1084-Y1108 HydrophobicContact CG-CE1 3.89Å; F1085-Y1108 HydrophobicContact CD2-CD1 4.37Å; F1085-Y1108 HydrophobicContact CD2-CG 4.35Å; F1085-Y1108 AromaticContact CE2-CD1 3.67Å; F1085-Y1108 HydrophobicContact CE2-CD1 3.67Å; F1085-Y1108 AromaticContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CD2 3.53Å; F1085-Y1108 HydrophobicContact CE2-CE1 4.07Å; F1085-Y1108 AromaticContact CE2-CE2 3.98Å; F1085-Y1108 HydrophobicContact CE2-CE2 3.98Å; F1085-Y1108 AromaticContact CE2-CG 3.37Å; F1085-Y1108 HydrophobicContact CE2-CG 3.37Å; F1085-Y1108 AromaticContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CD2 3.75Å; F1085-Y1108 HydrophobicContact CZ-CE2 4.17Å; F1085-Y1108 HydrophobicContact CZ-CG 4.04Å; L1100-Y1108 HydrophobicContact CD2-CE2 4.06Å; R1105-Y1108 HydrophobicContact CB-CE2 4.27Å; R1105-Y1108 HydrophobicContact CG-CE1 4.26Å; R1105-Y1108 HydrophobicContact CG-CE2 4.14Å; Y1108-V1133 CarbonylContact O-C 3.52Å; Y1108-V1133 WeakPolarHBondContact O-CA 3.21Å; Y1108-I1134 PolarHBondContact N-O 2.98Å; Y1108-I1134 PolarHBondContact O-N 2.78Å
1109V86.2Confident78.7Confident69 Ų6953.8 Ų53.842%0.41828%0.278SS..EExtended strand (participates in β ladder)trans-118100.2174.9-177.60000107.6G1079 L1131 S1132 V1133G1079-V1109 WeakPolarHBondContact CA-O 3.38Å; V1109-L1131 HydrophobicContact CG1-CD2 4.05Å; V1109-S1132 CarbonylContact C-O 3.53Å; V1109-S1132 WeakPolarHBondContact CA-O 3.35Å; V1109-V1133 HydrophobicContact CG1-CG2 4.22Å; V1109-V1133 HydrophobicContact CG2-CG1 4.26Å; V1109-V1133 HydrophobicContact CG2-CG2 4.15Å
1110L86Confident77.3Confident0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-88.9129.1-179.1-54.9-172.9000109.7I1076 G1079 N1080 F1085 I1094 V1112 L1131 S1132 I1134I1076-L1110 HydrophobicContact CD1-CD1 4.23Å; G1079-L1110 WeakPolarHBondContact O-CD2 3.44Å; N1080-L1110 HydrophobicContact CB-CD2 3.89Å; F1085-L1110 HydrophobicContact CB-CD1 3.95Å; F1085-L1110 HydrophobicContact CD2-CD1 4.16Å; F1085-L1110 HydrophobicContact CD2-CD2 4.21Å; F1085-L1110 HydrophobicContact CG-CD1 4.08Å; I1094-L1110 HydrophobicContact CD1-CD1 4.39Å; I1094-L1110 HydrophobicContact CG2-CD1 4.02Å; L1110-V1112 HydrophobicContact CB-CG2 4.28Å; L1110-L1131 CarbonylContact O-C 3.58Å; L1110-S1132 PolarHBondContact N-O 3.33Å; L1110-S1132 PolarHBondContact O-N 2.79Å; L1110-I1134 HydrophobicContact CD1-CD1 3.48Å; L1110-I1134 VanDerWaalsContact CD1-CD1 3.48Å; L1110-I1134 HydrophobicContact CG-CD1 3.95Å
1111R84.4Confident75.9Confident113 Ų11357.9 Ų57.943%0.42630%0.295SS..EExtended strand (participates in β ladder)trans-95.9121.6168.1-165.7178.2-174.41783.2108.5V1077 A1078 L1131V1077-R1111 HydrophobicContact CG2-CB 4.15Å; V1077-R1111 HydrophobicContact CG2-CG 3.99Å; V1077-R1111 VanDerWaalsContact CG2-O 3.3Å; V1077-R1111 WeakPolarHBondContact CG2-O 3.47Å; V1077-R1111 PolarHBondContact N-O 2.84Å; A1078-R1111 HydrophobicContact CB-CB 4.02Å; A1078-R1111 PolarHBondContact N-O 3.36Å; A1078-R1111 PolarHBondContact O-N 3.36Å; R1111-L1131 HydrophobicContact CB-CD2 4.12Å; R1111-L1131 HydrophobicContact CG-CD2 4.14Å
1112V84.1Confident74.5Confident0 Ų057.4 Ų57.40%030%0.3CS..EExtended strand (participates in β ladder)trans-118.1139.9-174.7-156.20000110I1063 S1075 I1076 I1087 I1094 L1110 K1129 S1130I1063-V1112 HydrophobicContact CD1-CB 3.66Å; I1063-V1112 HydrophobicContact CD1-CG1 3.28Å; I1063-V1112 HydrophobicContact CD1-CG2 3.99Å; S1075-V1112 WeakPolarHBondContact O-CA 3.31Å; S1075-V1112 WeakPolarHBondContact O-CG1 3.34Å; I1076-V1112 HydrophobicContact CG1-CG1 4.47Å; I1076-V1112 HydrophobicContact CG1-CG2 4.46Å; I1087-V1112 HydrophobicContact CD1-CG1 3.65Å; I1094-V1112 HydrophobicContact CD1-CG2 4.47Å; L1110-V1112 HydrophobicContact CB-CG2 4.28Å; V1112-K1129 WeakPolarHBondContact O-CA 3.32Å; V1112-S1130 PolarHBondContact N-O 2.79Å; V1112-S1130 PolarHBondContact O-N 3.04Å
1113Q82.5Confident73.2Confident13 Ų1360 Ų606%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-111.3138.5179.8-178.2170.1-53.200109.9Y1074 S1075 V1077 D1115 P1127 S1128Y1074-Q1113 WeakPolarHBondContact CA-O 3.44Å; S1075-Q1113 PolarHBondContact N-O 2.86Å; S1075-Q1113 PolarHBondContact O-N 3.37Å; V1077-Q1113 HydrophobicContact CG1-CB 3.6Å; V1077-Q1113 HydrophobicContact CG1-CG 4.47Å; V1077-Q1113 HydrophobicContact CG2-CB 4.21Å; Q1113-D1115 VanDerWaalsContact NE2-CG 3.34Å; Q1113-D1115 PolarHBondContact NE2-OD1 2.84Å; Q1113-D1115 VanDerWaalsContact NE2-OD1 3.13Å; Q1113-D1115 PolarHBondContact NE2-OD2 2.04Å; Q1113-P1127 HydrophobicContact CG-CB 3.65Å; Q1113-P1127 VanDerWaalsContact NE2-CB 3.26Å; Q1113-S1128 VanDerWaalsContact CA-O 3.32Å; Q1113-S1128 WeakPolarHBondContact CA-O 3.46Å
1114A77.6Confident72Confident0 Ų055.7 Ų55.70%030%0.3CS..EExtended strand (participates in β ladder)trans-115.1122.3172.200000109P1038 F1040 A1065 I1072 V1073 Y1074 S1128P1038-A1114 HydrophobicContact CB-CB 3.94Å; F1040-A1114 HydrophobicContact CE1-CB 4.02Å; F1040-A1114 HydrophobicContact CE2-CB 3.71Å; F1040-A1114 HydrophobicContact CZ-CB 3.42Å; F1040-A1114 VanDerWaalsContact CZ-CB 3.42Å; A1065-A1114 HydrophobicContact CB-CB 3.67Å; I1072-A1114 HydrophobicContact CG2-CB 3.73Å; V1073-A1114 WeakPolarHBondContact O-CA 3.32Å; Y1074-A1114 HydrophobicContact CD1-CB 4.08Å; Y1074-A1114 HydrophobicContact CE1-CB 4.07Å; A1114-S1128 PolarHBondContact N-O 2.84Å; A1114-S1128 PolarHBondContact O-N 2.85Å
1115D74.7Confident70.9Confident10 Ų1057.1 Ų57.15%0.05329%0.293CS..EExtended strand (participates in β ladder)trans-121.3147.2178.5-65.6-52.4000110.3I1072 V1073 Q1113 V1120 P1127I1072-D1115 CarbonylContact C-O 3.55Å; I1072-D1115 WeakPolarHBondContact CA-O 3.27Å; V1073-D1115 PolarHBondContact N-O 3.32Å; V1073-D1115 PolarHBondContact O-N 3.39Å; Q1113-D1115 VanDerWaalsContact NE2-CG 3.34Å; Q1113-D1115 PolarHBondContact NE2-OD1 2.84Å; Q1113-D1115 VanDerWaalsContact NE2-OD1 3.13Å; Q1113-D1115 PolarHBondContact NE2-OD2 2.04Å; D1115-V1120 HydrophobicContact CB-CG2 3.51Å; D1115-P1127 WeakPolarHBondContact OD1-CA 3.34Å; D1115-P1127 VanDerWaalsContact OD1-CB 3.29Å; D1115-P1127 WeakPolarHBondContact OD1-CB 3.38Å
1116S70.4Confident70Confident4 Ų454.3 Ų54.33%0.02829%0.285CS..EExtended strand (participates in β ladder)trans-75.8135172.5-50.50000110.2P1038 Q1070 E1118 V1119 V1120P1038-S1116 VanDerWaalsContact CG-OG 3.32Å; P1038-S1116 WeakPolarHBondContact CG-OG 2.99Å; Q1070-S1116 PolarHBondContact OE1-OG 2.84Å; S1116-E1118 VanDerWaalsContact C-N 3.26Å; S1116-E1118 PolarHBondContact O-N 3.13Å; S1116-V1119 WeakPolarHBondContact O-CA 3.41Å; S1116-V1119 VanDerWaalsContact O-CB 3.3Å; S1116-V1119 WeakPolarHBondContact O-CB 3.46Å; S1116-V1119 PolarHBondContact O-N 2.8Å; S1116-V1120 PolarHBondContact O-N 2.84Å
1117L65.5Low69Low77 Ų7753.1 Ų53.140%0.40328%0.279SS..Hα-helixtrans-57.4-38.4-175.4-173.170.4000112.6S1071 V1073 V1119 V1120 L1121S1071-L1117 WeakPolarHBondContact O-CB 3.36Å; S1071-L1117 PolarHBondContact O-N 3.49Å; S1071-L1117 WeakPolarHBondContact OG-CB 3.09Å; S1071-L1117 VanDerWaalsContact OG-CD2 3.29Å; S1071-L1117 WeakPolarHBondContact OG-CD2 3.49Å; V1073-L1117 HydrophobicContact CG2-CB 4.09Å; V1073-L1117 HydrophobicContact CG2-CD1 3.44Å; V1073-L1117 VanDerWaalsContact CG2-CD1 3.44Å; V1073-L1117 HydrophobicContact CG2-CG 4.38Å; L1117-V1119 VanDerWaalsContact C-N 3.3Å; L1117-V1119 PolarHBondContact O-N 3.16Å; L1117-V1120 PolarHBondContact O-N 3.37Å; L1117-L1121 WeakPolarHBondContact O-CG 3.39Å; L1117-L1121 PolarHBondContact O-N 2.82Å; L1117-L1121 VanDerWaalsContact O-N 3.1Å
1118E62.1Low68Low143 Ų14352 Ų5267%0.66827%0.27SS*.Hα-helixtrans-62.8-36.9175.3-125.2179176.300112.2S1116 A1122S1116-E1118 VanDerWaalsContact C-N 3.26Å; S1116-E1118 PolarHBondContact O-N 3.13Å; E1118-A1122 WeakPolarHBondContact O-CB 2.91Å; E1118-A1122 PolarHBondContact O-N 3.45Å
1119V58.3Low67.1Low14 Ų1456.7 Ų56.79%0.08529%0.291CS..Hα-helixtrans-74.1-36.8179.6160.90000111.1M939 S1116 L1117 A1122 N1123 L1124M939-V1119 HydrophobicContact SD-CG2 4.25Å; S1116-V1119 WeakPolarHBondContact O-CA 3.41Å; S1116-V1119 VanDerWaalsContact O-CB 3.3Å; S1116-V1119 WeakPolarHBondContact O-CB 3.46Å; S1116-V1119 PolarHBondContact O-N 2.8Å; L1117-V1119 VanDerWaalsContact C-N 3.3Å; L1117-V1119 PolarHBondContact O-N 3.16Å; V1119-A1122 PolarHBondContact O-N 2.96Å; V1119-N1123 PolarHBondContact O-N 3.23Å; V1119-L1124 WeakPolarHBondContact CG1-O 3.4Å; V1119-L1124 PolarHBondContact O-N 3.45Å
1120V54.5Low66.4Low52 Ų5253.8 Ų53.832%0.31527%0.274SS..Hα-helixtrans-65.3-44.2173.7177.50000111.1D1115 S1116 L1117 A1122 N1123D1115-V1120 HydrophobicContact CB-CG2 3.51Å; S1116-V1120 PolarHBondContact O-N 2.84Å; L1117-V1120 PolarHBondContact O-N 3.37Å; V1120-A1122 VanDerWaalsContact C-N 3.27Å; V1120-A1122 PolarHBondContact O-N 3.39Å; V1120-N1123 PolarHBondContact O-N 2.83Å
1121L55.3Low65.1Low145 Ų14557.2 Ų57.276%0.75929%0.292SS*.Hα-helixtrans-65.2-29.8177.9-74.7166.4000112.9L1117L1117-L1121 WeakPolarHBondContact O-CG 3.39Å; L1117-L1121 PolarHBondContact O-N 2.82Å; L1117-L1121 VanDerWaalsContact O-N 3.1Å
1122A53Low64.3Low53 Ų5352 Ų5244%0.43827%0.272SS..THydrogen-bonded Turntrans-91.1-3.3179.900000114.4E1118 V1119 V1120 L1124E1118-A1122 WeakPolarHBondContact O-CB 2.91Å; E1118-A1122 PolarHBondContact O-N 3.45Å; V1119-A1122 PolarHBondContact O-N 2.96Å; V1120-A1122 VanDerWaalsContact C-N 3.27Å; V1120-A1122 PolarHBondContact O-N 3.39Å; A1122-L1124 HydrophobicContact CB-CB 4.38Å; A1122-L1124 HydrophobicContact CB-CD1 3.77Å; A1122-L1124 HydrophobicContact CB-CG 4.1Å; A1122-L1124 WeakPolarHBondContact O-CG 3.4Å; A1122-L1124 PolarHBondContact O-N 3.5Å
1123N52.3Low63.3Low131 Ų13153.6 Ų53.670%0.70128%0.282SS*.THydrogen-bonded Turntrans57.620.6-172.9-106.1-4.4000114.7V1119 V1120V1119-N1123 PolarHBondContact O-N 3.23Å; V1120-N1123 PolarHBondContact O-N 2.83Å
1124L56.2Low62.7Low25 Ų2553 Ų5313%0.13128%0.279CS..  trans-10468.9-174.7-68.6165.7000110.9K937 M939 V1119 A1122K937-L1124 HydrophobicContact CB-CD2 4.25Å; K937-L1124 WeakPolarHBondContact O-CD2 3.45Å; M939-L1124 HydrophobicContact CE-CB 4.44Å; M939-L1124 HydrophobicContact CE-CD1 3.75Å; M939-L1124 HydrophobicContact CG-CB 4.2Å; M939-L1124 HydrophobicContact CG-CD1 4.48Å; M939-L1124 HydrophobicContact SD-CB 3.76Å; M939-L1124 HydrophobicContact SD-CD1 4.16Å; V1119-L1124 WeakPolarHBondContact CG1-O 3.4Å; V1119-L1124 PolarHBondContact O-N 3.45Å; A1122-L1124 HydrophobicContact CB-CB 4.38Å; A1122-L1124 HydrophobicContact CB-CD1 3.77Å; A1122-L1124 HydrophobicContact CB-CG 4.1Å; A1122-L1124 WeakPolarHBondContact O-CG 3.4Å; A1122-L1124 PolarHBondContact O-N 3.5Å
1125R55.9Low62.2Low137 Ų13755.1 Ų55.152%0.51729%0.293SS..  trans-78.4125-166-59.5-175.8-174.1-177.1-0.1113.7
1126V59.9Low61.5Low23 Ų2355.2 Ų55.214%0.13929%0.294CS..  trans-120.278.5158.7-172.10000108.3M939 A941 L1032 I1037M939-V1126 HydrophobicContact CB-CG2 3.81Å; M939-V1126 WeakPolarHBondContact O-CG2 3.2Å; A941-V1126 HydrophobicContact CB-CG1 4.06Å; L1032-V1126 HydrophobicContact CD1-CB 3.74Å; L1032-V1126 HydrophobicContact CD1-CG1 4.24Å; L1032-V1126 HydrophobicContact CD1-CG2 3.55Å; I1037-V1126 HydrophobicContact CD1-CG1 4.46Å
1127P62.2Low61.1Low52 Ų5257.1 Ų57.134%0.33831%0.308SS..  trans-78.7146.6-167.930.3-34.3000112.9Q1113 D1115Q1113-P1127 HydrophobicContact CG-CB 3.65Å; Q1113-P1127 VanDerWaalsContact NE2-CB 3.26Å; D1115-P1127 WeakPolarHBondContact OD1-CA 3.34Å; D1115-P1127 VanDerWaalsContact OD1-CB 3.29Å; D1115-P1127 WeakPolarHBondContact OD1-CB 3.38Å
1128S62.3Low60Low26 Ų2660 Ų6018%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-105.1144.4167-174.90000110.8P1038 Q1113 A1114P1038-S1128 WeakPolarHBondContact O-CB 3.17Å; P1038-S1128 PolarHBondContact O-OG 3.37Å; Q1113-S1128 VanDerWaalsContact CA-O 3.32Å; Q1113-S1128 WeakPolarHBondContact CA-O 3.46Å; A1114-S1128 PolarHBondContact N-O 2.84Å; A1114-S1128 PolarHBondContact O-N 2.85Å
1129K65.3Low59Low103 Ų10362.9 Ų62.945%0.44832%0.318SS..EExtended strand (participates in β ladder)trans-130.2136.9-172.1-61.1-179.6-177.3178.10110.9V1112V1112-K1129 WeakPolarHBondContact O-CA 3.32Å
1130S71.5Confident58.1Low8 Ų867.9 Ų67.96%0.05635%0.349CS..EExtended strand (participates in β ladder)trans-132.9164.8173.3171.90000110.8F1040 Q1042 E1043 V1112F1040-S1130 VanDerWaalsContact CG-CB 3.46Å; Q1042-S1130 PolarHBondContact O-OG 3.25Å; E1043-S1130 PolarHBondContact O-OG 2.74Å; V1112-S1130 PolarHBondContact N-O 2.79Å; V1112-S1130 PolarHBondContact O-N 3.04Å
1131L60.1Low57.1Low73 Ų7374.8 Ų74.838%0.38238%0.378SS..EExtended strand (participates in β ladder)trans-111.8134.4178.5-70.6163.2000110.4E1043 E1044 Y1045 V1109 L1110 R1111E1043-L1131 PolarHBondContact O-N 3.36Å; E1044-L1131 VanDerWaalsContact CA-O 3.24Å; E1044-L1131 WeakPolarHBondContact CA-O 3.32Å; E1044-L1131 HydrophobicContact CG-CB 4.5Å; Y1045-L1131 PolarHBondContact N-O 3.12Å; V1109-L1131 HydrophobicContact CG1-CD2 4.05Å; L1110-L1131 CarbonylContact O-C 3.58Å; R1111-L1131 HydrophobicContact CB-CD2 4.12Å; R1111-L1131 HydrophobicContact CG-CD2 4.14Å
1132S67.6Low56Low2 Ų274.8 Ų74.81%0.01438%0.383CS..EExtended strand (participates in β ladder)trans-122.7122.5175.9-62.70000110Y1045 V1109 L1110Y1045-S1132 CarbonylContact O-C 3.6Å; Y1045-S1132 VanDerWaalsContact O-CA 3.32Å; Y1045-S1132 WeakPolarHBondContact O-CA 3.46Å; V1109-S1132 CarbonylContact C-O 3.53Å; V1109-S1132 WeakPolarHBondContact CA-O 3.35Å; L1110-S1132 PolarHBondContact N-O 3.33Å; L1110-S1132 PolarHBondContact O-N 2.79Å
1133V62.3Low54.9Low34 Ų3477.5 Ų77.521%0.20640%0.399CS..EExtended strand (participates in β ladder)trans-107.3115.9-177.4-175.90000110.5Y1045 R1046 P1047 Y1108 V1109 P1135Y1045-V1133 PolarHBondContact O-N 2.66Å; R1046-V1133 HydrophobicContact CG-CB 4.47Å; P1047-V1133 WeakPolarHBondContact CD-O 3.44Å; Y1108-V1133 CarbonylContact O-C 3.52Å; Y1108-V1133 WeakPolarHBondContact O-CA 3.21Å; V1109-V1133 HydrophobicContact CG1-CG2 4.22Å; V1109-V1133 HydrophobicContact CG2-CG1 4.26Å; V1109-V1133 HydrophobicContact CG2-CG2 4.15Å; V1133-P1135 WeakPolarHBondContact O-CD 3.03Å
1134I70.7Confident53.8Low1 Ų181.2 Ų81.21%0.00541%0.409CS..EExtended strand (participates in β ladder)trans-109.2110.1-176.8-56.9162.7000109.9P1047 V1050 V1060 F1085 I1094 S1107 Y1108 L1110P1047-I1134 HydrophobicContact CG-CB 4.46Å; P1047-I1134 HydrophobicContact CG-CG1 3.8Å; V1050-I1134 HydrophobicContact CG2-CG2 3.97Å; V1060-I1134 HydrophobicContact CG1-CB 4.27Å; V1060-I1134 HydrophobicContact CG1-CD1 3.76Å; V1060-I1134 HydrophobicContact CG1-CG1 3.72Å; V1060-I1134 HydrophobicContact CG1-CG2 3.53Å; F1085-I1134 HydrophobicContact CD1-CD1 3.95Å; F1085-I1134 HydrophobicContact CD2-CD1 4.32Å; F1085-I1134 HydrophobicContact CE1-CD1 3.89Å; F1085-I1134 HydrophobicContact CE1-CG2 4.14Å; F1085-I1134 HydrophobicContact CE2-CD1 4.3Å; F1085-I1134 HydrophobicContact CG-CD1 4.16Å; F1085-I1134 HydrophobicContact CZ-CD1 4.06Å; F1085-I1134 HydrophobicContact CZ-CG2 4.09Å; I1094-I1134 HydrophobicContact CG2-CD1 4.26Å; S1107-I1134 CarbonylContact C-O 3.6Å; S1107-I1134 VanDerWaalsContact CA-O 3.26Å; S1107-I1134 WeakPolarHBondContact CA-O 3.29Å; Y1108-I1134 PolarHBondContact N-O 2.98Å; Y1108-I1134 PolarHBondContact O-N 2.78Å; L1110-I1134 HydrophobicContact CD1-CD1 3.48Å; L1110-I1134 VanDerWaalsContact CD1-CD1 3.48Å; L1110-I1134 HydrophobicContact CG-CD1 3.95Å
1135P65.3Low52.6Low45 Ų4585.5 Ų85.529%0.29244%0.441SS..EExtended strand (participates in β ladder)trans-83.3142.117227-25.8000112.7P1049 V1050 V1133P1049-P1135 CarbonylContact C-O 3.56Å; P1049-P1135 WeakPolarHBondContact CA-O 3.28Å; P1049-P1135 HydrophobicContact CB-CG 4.33Å; P1049-P1135 HydrophobicContact CG-CG 4.15Å; V1050-P1135 PolarHBondContact N-O 3.17Å; V1133-P1135 WeakPolarHBondContact O-CD 3.03Å
1136C61.8Low51.2Low11 Ų1187.5 Ų87.57%0.07446%0.461CS..EExtended strand (participates in β ladder)trans-95.3159.6170-720000111V1050 Y1102 T1106V1050-C1136 CarbonylContact O-C 3.49Å; V1050-C1136 VanDerWaalsContact O-CA 3.3Å; V1050-C1136 WeakPolarHBondContact O-CA 3.04Å; Y1102-C1136 HydrophobicContact CD2-CB 3.68Å; Y1102-C1136 HydrophobicContact CE2-CB 4.47Å; Y1102-C1136 WeakPolarHBondContact CE2-O 3.39Å; T1106-C1136 PolarHBondContact O-N 2.88Å
1137S60.4Low49.7Very low45 Ų4589.7 Ų89.732%0.31549%0.488SS..EExtended strand (participates in β ladder)trans-140.4144.6177.265.20000114.8V1050V1050-S1137 PolarHBondContact O-N 3.33Å
1138W42.2Very low48.1Very low137 Ų13794.8 Ų94.852%0.51951%0.512SS..  trans-82.3149.7179.1-110.949.2000115.2Y1102 E1103 T1140Y1102-W1138 AromaticContact CD1-CD1 2.91Å; Y1102-W1138 AromaticContact CD1-CG 3.99Å; Y1102-W1138 HydrophobicContact CD1-CG 3.99Å; Y1102-W1138 AromaticContact CD1-NE1 3.15Å; Y1102-W1138 AromaticContact CE1-CD1 3.44Å; Y1102-W1138 VanDerWaalsContact CE1-CD1 3.44Å; Y1102-W1138 HydrophobicContact CE1-CG 4.15Å; Y1102-W1138 AromaticContact CE1-NE1 3.86Å; Y1102-W1138 AromaticContact CG-CD1 3.24Å; Y1102-W1138 HydrophobicContact CG-CG 4.39Å; Y1102-W1138 AromaticContact CG-NE1 3.75Å; E1103-W1138 HydrophobicContact CG-CZ2 4.17Å; E1103-W1138 WeakPolarHBondContact OE1-CZ2 3.44Å; E1103-W1138 PolarHBondContact OE2-NE1 2.93Å; W1138-T1140 HydrophobicContact CE3-CG2 4.28Å; W1138-T1140 HydrophobicContact CZ3-CG2 4.31Å
1139R43Very low46.4Very low204 Ų204101.1 Ų101.177%0.7754%0.539SS*.  trans-137.9110.6171.9-156.9179-169.7178.73.7114
1140T37.9Very low44.6Very low119 Ų119103.3 Ų103.373%0.7356%0.555SS**PPolyproline II helixtrans-81126.7177.3390000114.2W1138W1138-T1140 HydrophobicContact CE3-CG2 4.28Å; W1138-T1140 HydrophobicContact CZ3-CG2 4.31Å
1141Q34.4Very low42.7Very low197 Ų197106.6 Ų106.692%0.92159%0.589SS**PPolyproline II helixtrans-85.4137169.3-91.2-159.9-21.300112.4
1142V32.3Very low41.2Very low144 Ų144109.6 Ų109.687%0.87361%0.611SS**PPolyproline II helixtrans-84.4134.3-179.9179.30000111.4
1143S28.9Very low40.2Very low110 Ų110114.7 Ų114.777%0.76964%0.643SS**PPolyproline II helixtrans-66147.3-175.750.80000116.5
1144K30.2Very low38.8Very low210 Ų210120.1 Ų120.191%0.91368%0.676SS**PPolyproline II helixtrans-53.5137171.9-89.3173.9171.4173.50114.6
1145S31Very low37Very low114 Ų114125.2 Ų125.280%0.79771%0.712SS**PPolyproline II helixtrans-90.3137153.457.30000110.9
1146L27Very low35.2Very low179 Ų179131.5 Ų131.594%0.93774%0.737SS**PPolyproline II helixtrans-60152.1175.8-84.683.8000114.4
1147G26.9Very low33.7Very low69 Ų69136.9 Ų136.971%0.71178%0.775SS**  trans150.6111.714300000117.7
1148L29.6Very low32.1Very low160 Ų160140.7 Ų140.784%0.83880%0.796SS**  trans8898.6161.9-63.1149.4000117
1149E25.9Very low31.5Very low159 Ų159143.6 Ų143.674%0.74382%0.816SS**  66.5133.284.1-81.2-162.7143.200113.1
1150L27.7Very low30.8Very low149 Ų149138.7 Ų138.778%0.7881%0.813SS**  cis-168.2149.511.6-100.3154.3000106.9
1151G30.7Very low30.3Very low76 Ų76136.8 Ų136.878%0.78482%0.817SS**  trans153.1116.3164.300000115.1
1152V28.7Very low30.1Very low137 Ų137133.5 Ų133.583%0.8381%0.81SS**  trans-103.7-169.3-159.8-153.50000111.7
1153P46.9Very low29.9Very low108 Ų108138.7 Ų138.770%0.70181%0.814SS**  -117.2168.1-108.640.9-23.9000115.6
1154V33.7Very low29.9Very low148 Ų148140 Ų14090%0.89782%0.817SS**  trans-145145.2146.6-171.10000110.5
1155S31.7Very low29.8Very low109 Ų109132.9 Ų132.976%0.76280%0.804SS**  trans-76.5157.7-156.246.80000119.2
1156H27.9Very low29.7Very low176 Ų176133.2 Ų133.282%0.81581%0.806SS**  trans-53145.7168.2-70.1-98.2000116.4
1157S30.5Very low29.9Very low125 Ų125130.5 Ų130.587%0.87480%0.802SS**  trans-145102.9135.249.50000109
1158V26.4Very low30.2Very low124 Ų124134 Ų13475%0.75281%0.81SS**  trans-103.5118.6166.3170.80000105
1159E29.7Very low30.4Very low199 Ų199138 Ų13893%0.9381%0.814SS**  trans-122.9112.7161.6-124.1176.1-171.100108.5
1160S28.8Very low30.6Very low101 Ų101135.3 Ų135.371%0.70682%0.819SS**  trans-74.6122.6176.947.10000110.8
1161G28.5Very low30.8Very low79 Ų79132.7 Ų132.781%0.81482%0.819SS**  trans-11879164.500000110.3R1163G1161-R1163 PolarHBondContact O-N 2.93Å
1162T29.6Very low30.8Very low128 Ų128134.8 Ų134.879%0.78582%0.822SS**  trans-74.3115168.930.90000109.9
1163R27.7Very low30.9Very low252 Ų252133.8 Ų133.895%0.95182%0.816SS**  trans-101.6103.1171.5-145.6177.5-168.8-179.82.6108G1161G1161-R1163 PolarHBondContact O-N 2.93Å
1164T29.8Very low30.1Very low137 Ų137134.7 Ų134.784%0.8482%0.822SS**  trans-100.3110.7173.348.60000109.2
1165G27.4Very low30Very low62 Ų62134.9 Ų134.964%0.63982%0.816SS**  trans-131.1111.6161.700000106.8
1166S27.8Very low29.9Very low120 Ų120142.1 Ų142.184%0.83984%0.837SS**  77106.881.9690000112.7
1167S32.6Very low30Very low122 Ų122140.4 Ų140.485%0.85384%0.838SS**  trans-162.789.5154.1176.60000108.4
1168T33.4Very low30Very low143 Ų143141.2 Ų141.288%0.87784%0.836SS**PPolyproline II helixtrans-82117.4171.817.50000108.7
1169R32.4Very low30.2Very low243 Ų243142.2 Ų142.292%0.91784%0.841SS**PPolyproline II helixtrans-72.5121.7175.9-111.6175.6173176.8-3110.1
1170A31.5Very low30.2Very low104 Ų104138.8 Ų138.886%0.8684%0.836SS**PPolyproline II helixtrans-69127.6170.300000110.5
1171A31.6Very low30.3Very low93 Ų93141.2 Ų141.277%0.76984%0.844SS**  trans-106.2111.2170.500000107.9
1172S30Very low30.4Very low120 Ų120145.3 Ų145.384%0.83985%0.846SS**PPolyproline II helixtrans-83.9116.3168.7410000108.9
1173V31.4Very low30.5Very low117 Ų117146.6 Ų146.671%0.70985%0.85SS**PPolyproline II helixtrans-101.4121.6171.21750000106.8I1175V1173-I1175 HydrophobicContact CG1-CG1 4.24Å
1174P30.4Very low30.7Very low127 Ų127138.5 Ų138.583%0.82584%0.842SS**PPolyproline II helixtrans-83.6125.8172.731.5-27.4000109.4
1175I30.3Very low30.7Very low152 Ų152138.6 Ų138.678%0.77984%0.842SS**  trans-117.5141.8169.9-61177.1000106.5V1173V1173-I1175 HydrophobicContact CG1-CG1 4.24Å
1176H30.2Very low31Very low260 Ų260145.5 Ų145.5100%1.20486%0.861SS**  trans-37.10168.4-100.4-65.7000115.1

Retrieved 1,176 of 1,176 residues in 317.8 ms (Link to these results)