A0A087YEU3_POEFO Loading...

CUGBP Elav-like family member 6

AlphaFold DB (I3J3L3), UniProt , Accession A0A087YEU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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
1M34.9Very low34.6Very low243 Ų243137.3 Ų137.3100%1.19781%0.811SS**  0154.20-67.4-179.3175.800108.3
2A34.8Very low34.4Very low90 Ų90138.9 Ų138.974%0.74481%0.805SS**  trans38.4113.8168.100000117.9
3T37.3Very low34.1Very low126 Ų126140.9 Ų140.977%0.77381%0.811SS**  cis73.694.135.7-41.50000115.2
4V37.2Very low33.9Very low138 Ų138135.1 Ų135.184%0.83680%0.796SS**  trans-149.8110.9145-172.60000104
5T37.3Very low33.7Very low120 Ų120138.9 Ų138.974%0.73680%0.8SS**  75.4133.360.4-53.50000112.8
6A39.4Very low33.6Very low70 Ų70135.8 Ų135.858%0.57979%0.788SS**  cis-170169.1-28.100000109.3
7N31.8Very low33.4Very low160 Ų160134.4 Ų134.486%0.85678%0.783SS**  trans70.1144.4165.6-48.3-27.2000117.1
8G32.4Very low33.3Very low70 Ų70134.5 Ų134.572%0.72279%0.785SS**  cis109.9145.12.700000112.9
9V34.1Very low33.1Very low129 Ų129135.6 Ų135.678%0.78279%0.788SS**  cis-147.61634.9172.90000110.4
10Q31.4Very low33.2Very low164 Ų164134.2 Ų134.277%0.76679%0.786SS**  trans-60.4172.2178.9-41.8112.5-24.400115.1
11Q30.1Very low33.3Very low200 Ų200133 Ų13394%0.93579%0.792SS**  -144.6151.6119.7-151.2158.545.400112.3
12E32.7Very low33Very low157 Ų157125.3 Ų125.373%0.73478%0.775SS**  trans-143.3153.6-169.7-175.3-171.6148.300109.2
13N29.4Very low33.4Very low165 Ų165132.9 Ų132.988%0.88278%0.784SS**  trans168.3139.7152.8-87.5-34000110
14G31.9Very low33.3Very low59 Ų59136 Ų13661%0.60879%0.792SS**  cis137.899.2-14.100000115.2
15F30.4Very low33.2Very low193 Ų193137.4 Ų137.485%0.84680%0.795SS**  trans171.6141.6150.4-115-119.1000108.9
16S31.7Very low33.1Very low88 Ų88135 Ų13562%0.61579%0.794SS**  cis85.2134.727.8-55.60000114.2
17T30.7Very low32.7Very low113 Ų113138.9 Ų138.969%0.69380%0.804SS**  cis-168.8157.8-5.714.30000111.2
18T32.6Very low33.1Very low136 Ų136138.4 Ų138.483%0.83481%0.807SS**  trans63152.8160.453.50000118
19N29.5Very low33.3Very low156 Ų156141.4 Ų141.483%0.83481%0.805SS**  cis-152.7-17840.3-163.97.5000113.1
20S34.4Very low33.5Very low106 Ų106139 Ų13974%0.74181%0.807SS**  trans-126.2162-161.7-64.20000116.7
21A34.3Very low33.5Very low111 Ų111139.2 Ų139.292%0.91781%0.808SS**  trans79.2135.815900000119.7
22G30.4Very low33.9Very low81 Ų81136.9 Ų136.984%0.83580%0.802SS**  trans160.874.9176.900000113.4
23R42.8Very low34.4Very low249 Ų249134.2 Ų134.294%0.9480%0.797SS**  trans-86.8129.5173.6-78.6-175.8174-177.8-1.6110.8
24M35.6Very low35.5Very low191 Ų191132.8 Ų132.894%0.94179%0.788SS**  trans-154.8166.8145.9-116.3175.6-171.500112.2
25N34.1Very low36.7Very low167 Ų167131.5 Ų131.589%0.89377%0.769SS**  trans-77144.3-162.3-73.8-26.1000114.8
26G35.3Very low38.1Very low70 Ų70130.9 Ų130.972%0.72277%0.77SS**  77.9106.5122.300000118.7
27L30.3Very low39.6Very low152 Ų152130.5 Ų130.580%0.79676%0.758SS**  -166.7114.2123.5-105164.6000109.8I29L27-I29 HydrophobicContact CB-CG1 4.44Å; L27-I29 PolarHBondContact O-N 3.06Å
28T41Very low41.4Very low149 Ų149129.4 Ų129.491%0.91475%0.748SS**  trans-77.886.7173.847.70000110.1
29I35.8Very low42.6Very low133 Ų133130.7 Ų130.768%0.68274%0.744SS**  trans-98.8110.9170.6-61.1178.8000108.2L27 Q31L27-I29 HydrophobicContact CB-CG1 4.44Å; L27-I29 PolarHBondContact O-N 3.06Å; I29-Q31 PolarHBondContact O-N 3.46Å
30G38.4Very low44.4Very low80 Ų80127 Ų12783%0.82572%0.724SS**  trans-70.287.7179.100000111.6N32G30-N32 PolarHBondContact O-N 3.4Å; G30-N32 VanDerWaalsContact O-N 3.07Å
31Q32.7Very low46.4Very low167 Ų167122.3 Ų122.378%0.7869%0.692SS**  trans-73.7101.8177.7-136.4177.29.600109.7I29 T33I29-Q31 PolarHBondContact O-N 3.46Å; Q31-T33 VanDerWaalsContact C-N 3.26Å; Q31-T33 PolarHBondContact O-N 2.84Å
32N37.3Very low48.7Very low151 Ų151119.1 Ų119.181%0.80766%0.659SS**  trans-68.682.5177.9-170.923.4000110G30 I34G30-N32 PolarHBondContact O-N 3.4Å; G30-N32 VanDerWaalsContact O-N 3.07Å; N32-I34 PolarHBondContact O-N 3.19Å
33T43Very low51.4Low102 Ų102118 Ų11863%0.62663%0.631SS**  trans-69.697.3-177.938.30000109.9Q31 P35Q31-T33 VanDerWaalsContact C-N 3.26Å; Q31-T33 PolarHBondContact O-N 2.84Å; T33-P35 WeakPolarHBondContact O-CD 3.43Å; T33-P35 VanDerWaalsContact O-N 3.08Å
34I52.7Low53.8Low134 Ų134106.1 Ų106.169%0.68759%0.586SS**PPolyproline II helixtrans-50.3117.1174.1-56.6174.5000107.5N32 M36N32-I34 PolarHBondContact O-N 3.19Å; I34-M36 PolarHBondContact O-N 3.15Å
35P58.4Low56.6Low33 Ų33100.4 Ų100.421%0.21456%0.556CS.*PPolyproline II helixtrans-65.6127.3-177.725.4-31.9000109.2T33 K37 K67 Y69T33-P35 WeakPolarHBondContact O-CD 3.43Å; T33-P35 VanDerWaalsContact O-N 3.08Å; P35-K37 PolarHBondContact O-N 2.79Å; P35-K67 HydrophobicContact CB-CD 4.13Å; P35-Y69 HydrophobicContact CG-CD2 4.25Å; P35-Y69 VanDerWaalsContact O-CD2 3.22Å; P35-Y69 WeakPolarHBondContact O-CD2 2.96Å; P35-Y69 VanDerWaalsContact O-CE2 3.26Å; P35-Y69 WeakPolarHBondContact O-CE2 3.43Å
36M59.3Low59.5Low179 Ų17992.4 Ų92.488%0.88251%0.514SS*.PPolyproline II helixtrans-63.3131.1175.2-61.6-177.178.100109I34I34-M36 PolarHBondContact O-N 3.15Å
37K62Low62.3Low81 Ų8189.2 Ų89.235%0.35248%0.481SS..PPolyproline II helixtrans-84.8127175.5-175.1-178.9172.3179.10108.6P35 A41 Y69 T89P35-K37 PolarHBondContact O-N 2.79Å; K37-A41 HydrophobicContact CD-CB 4.21Å; K37-A41 WeakPolarHBondContact CE-O 3.38Å; K37-A41 HydrophobicContact CG-CB 3.66Å; K37-A41 PolarHBondContact NZ-O 3.1Å; K37-Y69 HydrophobicContact CB-CD1 4.35Å; K37-Y69 HydrophobicContact CB-CD2 3.72Å; K37-Y69 HydrophobicContact CB-CE1 4.33Å; K37-Y69 HydrophobicContact CB-CE2 3.71Å; K37-Y69 HydrophobicContact CB-CG 4.05Å; K37-Y69 HydrophobicContact CD-CD1 3.95Å; K37-Y69 HydrophobicContact CD-CE1 4Å; K37-Y69 HydrophobicContact CD-CG 4.37Å; K37-Y69 HydrophobicContact CG-CD1 4.33Å; K37-Y69 HydrophobicContact CG-CD2 4.42Å; K37-Y69 HydrophobicContact CG-CG 4.26Å; K37-T89 HydrophobicContact CD-CG2 4.01Å
38D69.4Low65.3Low89 Ų8984.7 Ų84.748%0.47646%0.455SS..PPolyproline II helixtrans-64.1150.7172.7-169.75.6000111.2D40 A41 C91D38-D40 PolarHBondContact O-N 2.8Å; D38-A41 HydrophobicContact CB-CB 4.19Å; D38-A41 VanDerWaalsContact O-CB 3.24Å; D38-A41 WeakPolarHBondContact O-CB 3.11Å; D38-A41 PolarHBondContact O-N 3.2Å; D38-A41 VanDerWaalsContact O-N 3.11Å; D38-C91 WeakPolarHBondContact CB-O 3.49Å; D38-C91 PolarHBondContact N-O 3.39Å
39H58.3Low67.8Low164 Ų16477.7 Ų77.776%0.75941%0.412SS*.THydrogen-bonded Turntrans-66.4-25.4-175.6-139.9-89.6000112.2
40D67.7Low70.4Confident79 Ų7971.6 Ų71.642%0.42238%0.382SS..THydrogen-bonded Turntrans-97.410.7177.8-162.717.1000113.1D38 I42 R93D38-D40 PolarHBondContact O-N 2.8Å; D40-I42 PolarHBondContact O-N 2.84Å; D40-R93 WeakPolarHBondContact OD1-CD 3.41Å; D40-R93 IonicContact OD1-CZ 2.78Å; D40-R93 IonicContact OD1-NH1 3.6Å; D40-R93 PolarHBondContact OD1-NH1 2.68Å; D40-R93 WeakPolarHBondContact OD2-CD 3.45Å; D40-R93 IonicContact OD2-CZ 2.6Å; D40-R93 IonicContact OD2-NE 2.64Å; D40-R93 IonicContact OD2-NH1 2.67Å; D40-R93 PolarHBondContact OD2-NH1 2.85Å
41A76.1Confident72.8Confident7 Ų776.2 Ų76.26%0.05837%0.374CS..  trans-74.3102.5-173.800000113.6K37 D38 Y90K37-A41 HydrophobicContact CD-CB 4.21Å; K37-A41 WeakPolarHBondContact CE-O 3.38Å; K37-A41 HydrophobicContact CG-CB 3.66Å; K37-A41 PolarHBondContact NZ-O 3.1Å; D38-A41 HydrophobicContact CB-CB 4.19Å; D38-A41 VanDerWaalsContact O-CB 3.24Å; D38-A41 WeakPolarHBondContact O-CB 3.11Å; D38-A41 PolarHBondContact O-N 3.2Å; D38-A41 VanDerWaalsContact O-N 3.11Å; A41-Y90 WeakPolarHBondContact CB-O 3.36Å
42I81.3Confident75.5Confident44 Ų4474.3 Ų74.323%0.22637%0.369CS..  trans-59.6135.4179.1-60.4-179.5000112D40 L44 R93 A96 L97D40-I42 PolarHBondContact O-N 2.84Å; I42-L44 HydrophobicContact CG2-CD2 4.03Å; I42-L44 HydrophobicContact CG2-CG 4.49Å; I42-R93 HydrophobicContact CD1-CG 3.77Å; I42-R93 HydrophobicContact CG1-CG 4.13Å; I42-A96 HydrophobicContact CB-CB 4.02Å; I42-A96 HydrophobicContact CG2-CB 4.42Å; I42-L97 HydrophobicContact CD1-CD2 4.5Å
43K89Confident78Confident56 Ų5668.9 Ų68.924%0.24334%0.34CS..EExtended strand (participates in β ladder)trans-91.3130.2163.9-171.5159.9-171.2152.40108.9E70 F87 A121K43-E70 IonicContact NZ-OE1 2.73Å; K43-E70 PolarHBondContact NZ-OE1 3.18Å; K43-E70 IonicContact NZ-OE2 3.7Å; K43-E70 PolarHBondContact NZ-OE2 3.2Å; K43-F87 VanDerWaalsContact CE-CB 3.4Å; K43-F87 HydrophobicContact CG-CD1 4.48Å; K43-A121 HydrophobicContact CB-CB 4.37Å; K43-A121 HydrophobicContact CG-CB 4.16Å; K43-A121 WeakPolarHBondContact O-CB 3.35Å; K43-A121 PolarHBondContact O-N 2.81Å
44L92.8Very high80.3Confident1 Ų167.4 Ų67.41%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-105.8141.3179-62170.9000110.1I42 I46 F87 L88 Y90 A96 A99 V118 K119I42-L44 HydrophobicContact CG2-CD2 4.03Å; I42-L44 HydrophobicContact CG2-CG 4.49Å; L44-I46 HydrophobicContact CB-CD1 3.96Å; L44-F87 CarbonylContact O-C 3.56Å; L44-F87 WeakPolarHBondContact O-CA 3.21Å; L44-L88 HydrophobicContact CB-CB 4.44Å; L44-L88 WeakPolarHBondContact CB-O 3.19Å; L44-L88 HydrophobicContact CD1-CD2 4.4Å; L44-L88 PolarHBondContact N-O 2.98Å; L44-L88 PolarHBondContact O-N 2.84Å; L44-Y90 HydrophobicContact CD1-CD2 4.08Å; L44-Y90 HydrophobicContact CD1-CE2 3.84Å; L44-A96 HydrophobicContact CD1-CB 3.94Å; L44-A96 HydrophobicContact CD2-CB 4.31Å; L44-A96 HydrophobicContact CG-CB 4.15Å; L44-A99 HydrophobicContact CD1-CB 4.44Å; L44-V118 HydrophobicContact CB-CG1 4.42Å; L44-V118 HydrophobicContact CD1-CG1 3.83Å; L44-V118 HydrophobicContact CD2-CG1 4.29Å; L44-V118 HydrophobicContact CG-CG1 4.42Å; L44-K119 CarbonylContact C-O 3.53Å; L44-K119 WeakPolarHBondContact CA-O 3.36Å
45F94.6Very high82.2Confident70 Ų7064.9 Ų64.931%0.30731%0.311SS..EExtended strand (participates in β ladder)trans-89.6132.1161.2177.2-96.4000109C85 F87 V118 K119 A121F45-C85 HydrophobicContact CE1-CB 4.35Å; F45-C85 HydrophobicContact CE2-CB 3.56Å; F45-C85 HydrophobicContact CZ-CB 3.44Å; F45-C85 VanDerWaalsContact CZ-CB 3.44Å; F45-F87 HydrophobicContact CB-CD1 4.28Å; F45-F87 HydrophobicContact CB-CE1 4.12Å; F45-F87 HydrophobicContact CD2-CD1 4.22Å; F45-F87 AromaticContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CZ 4.4Å; F45-F87 HydrophobicContact CG-CE1 4.47Å; F45-V118 WeakPolarHBondContact O-CA 3.05Å; F45-K119 PolarHBondContact N-O 2.99Å; F45-K119 PolarHBondContact O-N 3.24Å; F45-A121 HydrophobicContact CB-CB 4.25Å
46I94.6Very high83.8Confident0 Ų069.7 Ų69.70%033%0.329CS..EExtended strand (participates in β ladder)trans-116.599-179.8-46.6-60.1000107.7L44 I49 F62 C85 A86 L88 I116 V118L44-I46 HydrophobicContact CB-CD1 3.96Å; I46-I49 HydrophobicContact CB-CD1 4.03Å; I46-I49 HydrophobicContact CG2-CD1 3.61Å; I46-I49 HydrophobicContact CG2-CG1 3.95Å; I46-F62 HydrophobicContact CB-CZ 4.45Å; I46-F62 HydrophobicContact CD1-CE1 3.95Å; I46-F62 HydrophobicContact CD1-CZ 4.1Å; I46-F62 HydrophobicContact CG1-CE1 4.47Å; I46-F62 HydrophobicContact CG1-CZ 4.15Å; I46-F62 HydrophobicContact CG2-CE1 4.33Å; I46-F62 HydrophobicContact CG2-CE2 4.15Å; I46-F62 HydrophobicContact CG2-CZ 3.49Å; I46-F62 VanDerWaalsContact CG2-CZ 3.49Å; I46-C85 CarbonylContact O-C 3.56Å; I46-C85 WeakPolarHBondContact O-CA 3.29Å; I46-C85 WeakPolarHBondContact O-CB 3.19Å; I46-A86 HydrophobicContact CB-CB 4.35Å; I46-A86 WeakPolarHBondContact CB-O 3.38Å; I46-A86 PolarHBondContact N-O 3.2Å; I46-A86 PolarHBondContact O-N 2.84Å; I46-L88 HydrophobicContact CD1-CB 4.04Å; I46-L88 HydrophobicContact CD1-CD2 3.98Å; I46-L88 HydrophobicContact CG1-CB 3.83Å; I46-L88 HydrophobicContact CG1-CD2 4.37Å; I46-I116 HydrophobicContact CG2-CD1 3.67Å; I46-I116 HydrophobicContact CG2-CG1 3.86Å; I46-V118 HydrophobicContact CD1-CB 4.18Å; I46-V118 HydrophobicContact CD1-CG1 3.78Å; I46-V118 HydrophobicContact CD1-CG2 3.81Å
47G93.4Very high85.4Confident3 Ų364.7 Ų64.73%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-92.3168.7176.300000113.8I116 Q117G47-I116 WeakPolarHBondContact O-CG1 3.48Å; G47-Q117 PolarHBondContact N-O 3.28Å; G47-Q117 PolarHBondContact O-N 3.15Å
48Q93.1Very high86.8Confident57 Ų5760.8 Ų60.827%0.26629%0.289SS..SBendtrans61.448179.8-52.3-59.9-36.700113.7G84 M112 R114 P115 Q117Q48-G84 PolarHBondContact N-O 3.08Å; Q48-M112 HydrophobicContact CB-CE 3.99Å; Q48-M112 VanDerWaalsContact OE1-CE 3.3Å; Q48-R114 HydrophobicContact CG-CB 4.08Å; Q48-P115 WeakPolarHBondContact CB-O 3.4Å; Q48-P115 WeakPolarHBondContact CG-O 3.49Å; Q48-Q117 HydrophobicContact CG-CG 4.03Å
49I93.1Very high87.9Confident1 Ų160.5 Ų60.51%0.00528%0.283CS..  trans-99133.8174.2-56.3-178.9000110.4I46 L53 L58 G84 A86 L109I46-I49 HydrophobicContact CB-CD1 4.03Å; I46-I49 HydrophobicContact CG2-CD1 3.61Å; I46-I49 HydrophobicContact CG2-CG1 3.95Å; I49-L53 HydrophobicContact CG2-CB 4.34Å; I49-L58 HydrophobicContact CD1-CD1 3.98Å; I49-L58 HydrophobicContact CD1-CD2 4.37Å; I49-L58 HydrophobicContact CG2-CD1 4.05Å; I49-L58 HydrophobicContact CG2-CD2 3.87Å; I49-G84 PolarHBondContact N-O 2.99Å; I49-G84 WeakPolarHBondContact O-CA 3.44Å; I49-A86 HydrophobicContact CD1-CB 3.59Å; I49-L109 HydrophobicContact CG2-CD1 4.46Å
50P90.8Very high89.6Confident6 Ų656.8 Ų56.84%0.03927%0.274CS..  trans-56.8138.2172.8-17.825.2000112.3N52 L53 L109 P110 M112P50-N52 WeakPolarHBondContact CB-OD1 3.28Å; P50-N52 PolarHBondContact O-N 3.31Å; P50-L53 HydrophobicContact CB-CD1 4.48Å; P50-L53 HydrophobicContact CB-CG 4.17Å; P50-L53 HydrophobicContact CG-CD1 3.91Å; P50-L53 HydrophobicContact CG-CG 4.15Å; P50-L53 PolarHBondContact O-N 3.43Å; P50-L109 HydrophobicContact CG-CB 3.81Å; P50-L109 HydrophobicContact CG-CD1 4.42Å; P50-P110 VanDerWaalsContact CG-O 3.27Å; P50-P110 WeakPolarHBondContact CG-O 3.28Å; P50-M112 HydrophobicContact CB-SD 4.36Å; P50-M112 HydrophobicContact CG-CG 3.82Å; P50-M112 HydrophobicContact CG-SD 4.19Å
51R89.9Confident90.8Very high177 Ų17754.2 Ų54.267%0.66826%0.26SS*.THydrogen-bonded Turntrans-67.3-8.6-175.5-63-168.9-177.6174.30.9115.1H82R51-H82 HydrophobicContact CB-CB 4.07Å; R51-H82 WeakPolarHBondContact CD-O 3.21Å; R51-H82 HydrophobicContact CG-CB 4.48Å; R51-H82 WeakPolarHBondContact CG-O 3.19Å; R51-H82 VanDerWaalsContact O-CB 3.3Å; R51-H82 WeakPolarHBondContact O-CB 3.36Å
52N88.7Confident91.6Very high126 Ų12653.9 Ų53.967%0.67426%0.257SS*.THydrogen-bonded Turntrans-101.6-1.9-179.964.9-73.1000113.9P50P50-N52 WeakPolarHBondContact CB-OD1 3.28Å; P50-N52 PolarHBondContact O-N 3.31Å
53L89.9Confident92.2Very high38 Ų3855.5 Ų55.520%0.19926%0.263CS..  trans-91.6145.2171.8-61.3-173.1000110.2I49 P50 D57 L58 H82 L109I49-L53 HydrophobicContact CG2-CB 4.34Å; P50-L53 HydrophobicContact CB-CD1 4.48Å; P50-L53 HydrophobicContact CB-CG 4.17Å; P50-L53 HydrophobicContact CG-CD1 3.91Å; P50-L53 HydrophobicContact CG-CG 4.15Å; P50-L53 PolarHBondContact O-N 3.43Å; L53-D57 HydrophobicContact CB-CB 4.38Å; L53-D57 HydrophobicContact CD2-CB 4.04Å; L53-L58 HydrophobicContact CB-CD2 4.27Å; L53-L58 HydrophobicContact CB-CG 4.29Å; L53-L58 HydrophobicContact CD1-CD2 3.96Å; L53-H82 PolarHBondContact O-CD2 2.77Å; L53-H82 PolarHBondContact O-NE2 2.91Å; L53-L109 HydrophobicContact CD1-CD1 4.32Å
54E91.4Very high92.4Very high70 Ų7059.5 Ų59.533%0.32728%0.283SS..  trans-121.1178174.3-59.7-164107.900111.4K56 D57 L58 K75E54-K56 HydrophobicContact CB-CD 4.37Å; E54-K56 HydrophobicContact CB-CG 4.33Å; E54-K56 PolarHBondContact O-N 2.93Å; E54-K56 VanDerWaalsContact O-N 3.14Å; E54-K56 IonicContact OE2-NZ 2.62Å; E54-K56 PolarHBondContact OE2-NZ 2.6Å; E54-D57 PolarHBondContact N-OD2 3.09Å; E54-D57 PolarHBondContact O-N 2.86Å; E54-L58 WeakPolarHBondContact O-CG 3.42Å; E54-L58 PolarHBondContact O-N 2.8Å; E54-K75 IonicContact OE1-NZ 2.69Å; E54-K75 PolarHBondContact OE1-NZ 2.97Å
55E92.3Very high92.5Very high81 Ų8161.2 Ų61.238%0.37929%0.29SS..Hα-helixtrans-53.8-36.2-178.3-65.1156.2177.600112D57 K59 L71 T72 V73E55-D57 VanDerWaalsContact C-N 3.34Å; E55-D57 PolarHBondContact O-N 2.91Å; E55-K59 WeakPolarHBondContact O-CB 3.5Å; E55-K59 PolarHBondContact O-N 2.84Å; E55-L71 HydrophobicContact CB-CG 4.45Å; E55-L71 HydrophobicContact CG-CG 4.35Å; E55-T72 WeakPolarHBondContact OE1-CA 3.08Å; E55-V73 HydrophobicContact CG-CB 3.9Å; E55-V73 HydrophobicContact CG-CG2 3.67Å; E55-V73 PolarHBondContact OE1-N 3.41Å
56K92.8Very high92.3Very high135 Ų13558.9 Ų58.959%0.58729%0.287SS*.Hα-helixtrans-62-34.3175.573.6-158.3179.1-1570114.1E54 P60E54-K56 HydrophobicContact CB-CD 4.37Å; E54-K56 HydrophobicContact CB-CG 4.33Å; E54-K56 PolarHBondContact O-N 2.93Å; E54-K56 VanDerWaalsContact O-N 3.14Å; E54-K56 IonicContact OE2-NZ 2.62Å; E54-K56 PolarHBondContact OE2-NZ 2.6Å; K56-P60 VanDerWaalsContact O-CD 3.26Å; K56-P60 WeakPolarHBondContact O-CD 3.45Å
57D92.1Very high92.3Very high73 Ų7364.6 Ų64.639%0.3931%0.311SS..Hα-helixtrans-89.6-30.5-175.9-43.8-69.9000110.5L53 E54 E55L53-D57 HydrophobicContact CB-CB 4.38Å; L53-D57 HydrophobicContact CD2-CB 4.04Å; E54-D57 PolarHBondContact N-OD2 3.09Å; E54-D57 PolarHBondContact O-N 2.86Å; E55-D57 VanDerWaalsContact C-N 3.34Å; E55-D57 PolarHBondContact O-N 2.91Å
58L92.1Very high92.2Very high0 Ų065.1 Ų65.10%031%0.313CS..Hα-helixtrans-81.1-33.6177-63.8168.2000112.4I49 L53 E54 L61 F62 L71 V73I49-L58 HydrophobicContact CD1-CD1 3.98Å; I49-L58 HydrophobicContact CD1-CD2 4.37Å; I49-L58 HydrophobicContact CG2-CD1 4.05Å; I49-L58 HydrophobicContact CG2-CD2 3.87Å; L53-L58 HydrophobicContact CB-CD2 4.27Å; L53-L58 HydrophobicContact CB-CG 4.29Å; L53-L58 HydrophobicContact CD1-CD2 3.96Å; E54-L58 WeakPolarHBondContact O-CG 3.42Å; E54-L58 PolarHBondContact O-N 2.8Å; L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 2.81Å; L58-L61 VanDerWaalsContact O-N 3.15Å; L58-F62 HydrophobicContact CB-CD2 4.3Å; L58-F62 HydrophobicContact CB-CE2 4.3Å; L58-F62 HydrophobicContact CD2-CE2 4.44Å; L58-F62 VanDerWaalsContact O-CD2 3.23Å; L58-F62 WeakPolarHBondContact O-CD2 3.46Å; L58-F62 PolarHBondContact O-N 3.35Å; L58-L71 HydrophobicContact CB-CD2 4.06Å; L58-V73 HydrophobicContact CD1-CG2 3.62Å
59K92.9Very high92Very high83 Ų8367.1 Ų67.136%0.36132%0.319SS..Hα-helixtrans-54.8-49.3-175.4-167.6-172.8-177.2-127.90112.8E55 L61 F62 E63 I68 L71E55-K59 WeakPolarHBondContact O-CB 3.5Å; E55-K59 PolarHBondContact O-N 2.84Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.42Å; K59-F62 PolarHBondContact O-N 3.07Å; K59-F62 VanDerWaalsContact O-N 3.08Å; K59-E63 VanDerWaalsContact CE-OE1 3.27Å; K59-E63 WeakPolarHBondContact CE-OE1 3.25Å; K59-E63 WeakPolarHBondContact CE-OE2 3.39Å; K59-E63 IonicContact NZ-OE1 3.46Å; K59-E63 PolarHBondContact NZ-OE1 3.29Å; K59-E63 IonicContact NZ-OE2 2.71Å; K59-E63 PolarHBondContact NZ-OE2 3.44Å; K59-E63 VanDerWaalsContact O-CB 3.29Å; K59-E63 WeakPolarHBondContact O-CB 3.41Å; K59-E63 PolarHBondContact O-N 2.97Å; K59-I68 HydrophobicContact CG-CD1 3.79Å; K59-L71 HydrophobicContact CB-CD2 4.01Å
60P93.8Very high91.8Very high86 Ų8669.8 Ų69.856%0.55833%0.332SS*.Hα-helixtrans-61.2-34.6179.9-23.135000113.5K56 F62K56-P60 VanDerWaalsContact O-CD 3.26Å; K56-P60 WeakPolarHBondContact O-CD 3.45Å; P60-F62 VanDerWaalsContact C-N 3.27Å; P60-F62 PolarHBondContact O-N 2.9Å
61L91.8Very high91.9Very high25 Ų2570.7 Ų70.713%0.13134%0.336CS..Hα-helixtrans-66.3-27.9177.3171.765.8000112.9L58 K59 F65 K107 L109L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 2.81Å; L58-L61 VanDerWaalsContact O-N 3.15Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.42Å; L61-F65 WeakPolarHBondContact O-CE2 3.33Å; L61-K107 HydrophobicContact CD1-CD 4Å; L61-L109 HydrophobicContact CD2-CD2 3.77Å
62F93.7Very high92Very high0 Ų064.9 Ų64.90%032%0.32CS..Hα-helixtrans-100.1-28.9-179.1-73.1-67.2000113.2I46 L58 K59 P60 E64 F65 I68 L88 Y90 L103 I116 V118I46-F62 HydrophobicContact CB-CZ 4.45Å; I46-F62 HydrophobicContact CD1-CE1 3.95Å; I46-F62 HydrophobicContact CD1-CZ 4.1Å; I46-F62 HydrophobicContact CG1-CE1 4.47Å; I46-F62 HydrophobicContact CG1-CZ 4.15Å; I46-F62 HydrophobicContact CG2-CE1 4.33Å; I46-F62 HydrophobicContact CG2-CE2 4.15Å; I46-F62 HydrophobicContact CG2-CZ 3.49Å; I46-F62 VanDerWaalsContact CG2-CZ 3.49Å; L58-F62 HydrophobicContact CB-CD2 4.3Å; L58-F62 HydrophobicContact CB-CE2 4.3Å; L58-F62 HydrophobicContact CD2-CE2 4.44Å; L58-F62 VanDerWaalsContact O-CD2 3.23Å; L58-F62 WeakPolarHBondContact O-CD2 3.46Å; L58-F62 PolarHBondContact O-N 3.35Å; K59-F62 PolarHBondContact O-N 3.07Å; K59-F62 VanDerWaalsContact O-N 3.08Å; P60-F62 VanDerWaalsContact C-N 3.27Å; P60-F62 PolarHBondContact O-N 2.9Å; F62-E64 PolarHBondContact O-N 3.02Å; F62-F65 PolarHBondContact O-N 3.35Å; F62-F65 VanDerWaalsContact O-N 3.11Å; F62-I68 HydrophobicContact CB-CD1 3.72Å; F62-L88 HydrophobicContact CB-CD1 4.35Å; F62-L88 HydrophobicContact CB-CD2 3.79Å; F62-L88 HydrophobicContact CD1-CD2 3.28Å; F62-L88 HydrophobicContact CD2-CD2 4.14Å; F62-L88 HydrophobicContact CE1-CD2 3.85Å; F62-L88 HydrophobicContact CG-CD2 3.47Å; F62-L88 VanDerWaalsContact CG-CD2 3.47Å; F62-Y90 WeakPolarHBondContact CB-OH 3.37Å; F62-Y90 VanDerWaalsContact O-CE1 3.31Å; F62-Y90 WeakPolarHBondContact O-CE1 3.22Å; F62-Y90 PolarHBondContact O-OH 3.05Å; F62-L103 HydrophobicContact CD1-CD1 3.66Å; F62-L103 HydrophobicContact CE1-CD1 3.29Å; F62-L103 HydrophobicContact CZ-CD1 4.2Å; F62-I116 HydrophobicContact CZ-CD1 3.73Å; F62-V118 HydrophobicContact CE1-CG2 4.3Å
63E94.1Very high92.2Very high77 Ų7759.3 Ų59.336%0.3629%0.291SS..Hα-helixtrans-67.3-20.4-179-161.4151.6-139.700111.9K59 F65 G66 I68K59-E63 VanDerWaalsContact CE-OE1 3.27Å; K59-E63 WeakPolarHBondContact CE-OE1 3.25Å; K59-E63 WeakPolarHBondContact CE-OE2 3.39Å; K59-E63 IonicContact NZ-OE1 3.46Å; K59-E63 PolarHBondContact NZ-OE1 3.29Å; K59-E63 IonicContact NZ-OE2 2.71Å; K59-E63 PolarHBondContact NZ-OE2 3.44Å; K59-E63 VanDerWaalsContact O-CB 3.29Å; K59-E63 WeakPolarHBondContact O-CB 3.41Å; K59-E63 PolarHBondContact O-N 2.97Å; E63-F65 PolarHBondContact O-N 2.87Å; E63-G66 PolarHBondContact O-N 2.8Å; E63-G66 VanDerWaalsContact O-N 3.08Å; E63-I68 HydrophobicContact CB-CD1 4Å; E63-I68 HydrophobicContact CB-CG1 4.49Å
64E93.4Very high92.2Very high140 Ų14059.5 Ų59.565%0.65429%0.292SS*.THydrogen-bonded Turntrans-52.9-34167.5-172.5176.6-177.400113.5F62F62-E64 PolarHBondContact O-N 3.02Å
65F93.8Very high92.1Very high37 Ų3760.8 Ų60.816%0.16230%0.296CS..THydrogen-bonded Turntrans-90.7-4.4-179.5-54.6-75.7000113.5L61 F62 E63 Y90 S95 K98 A99 A102 L103L61-F65 WeakPolarHBondContact O-CE2 3.33Å; F62-F65 PolarHBondContact O-N 3.35Å; F62-F65 VanDerWaalsContact O-N 3.11Å; E63-F65 PolarHBondContact O-N 2.87Å; F65-Y90 HydrophobicContact CB-CE1 4.33Å; F65-S95 WeakPolarHBondContact O-CA 3.27Å; F65-S95 WeakPolarHBondContact O-CB 3.34Å; F65-S95 PolarHBondContact O-OG 2.84Å; F65-K98 HydrophobicContact CD1-CB 4.45Å; F65-A99 HydrophobicContact CB-CB 3.83Å; F65-A99 HydrophobicContact CD2-CB 3.99Å; F65-A99 HydrophobicContact CG-CB 3.85Å; F65-A102 HydrophobicContact CD1-CB 4.13Å; F65-A102 HydrophobicContact CE1-CB 3.32Å; F65-A102 HydrophobicContact CZ-CB 3.8Å; F65-L103 HydrophobicContact CD2-CD1 4.18Å; F65-L103 HydrophobicContact CE2-CD1 3.63Å; F65-L103 HydrophobicContact CE2-CD2 4.05Å; F65-L103 HydrophobicContact CE2-CG 3.83Å; F65-L103 HydrophobicContact CZ-CD1 4.3Å; F65-L103 HydrophobicContact CZ-CD2 4.03Å; F65-L103 HydrophobicContact CZ-CG 3.98Å
66G91.9Very high91.7Very high22 Ų2258.7 Ų58.723%0.22729%0.288CS..SBendtrans136.2179.3173.900000113.9E63 I68 Y90E63-G66 PolarHBondContact O-N 2.8Å; E63-G66 VanDerWaalsContact O-N 3.08Å; G66-I68 PolarHBondContact O-N 3.26Å; G66-Y90 WeakPolarHBondContact O-CE1 3.35Å
67K92.6Very high91.2Very high119 Ų11963.3 Ų63.352%0.51730%0.301SS..  trans-64.5124.3-171.8-162.3174.1-171.6179.90111.4P35 C91P35-K67 HydrophobicContact CB-CD 4.13Å; K67-C91 HydrophobicContact CB-CB 4.42Å; K67-C91 PolarHBondContact O-N 2.89Å; K67-C91 PolarHBondContact O-SG 3.09Å; K67-C91 VanDerWaalsContact O-SG 3.35Å
68I92.4Very high90.4Very high14 Ų1468.8 Ų68.87%0.07232%0.322CS..EExtended strand (participates in β ladder)trans-82.7133.7177.1-62.4174.1000109.1K59 F62 E63 G66 L71 L88 Y90K59-I68 HydrophobicContact CG-CD1 3.79Å; F62-I68 HydrophobicContact CB-CD1 3.72Å; E63-I68 HydrophobicContact CB-CD1 4Å; E63-I68 HydrophobicContact CB-CG1 4.49Å; G66-I68 PolarHBondContact O-N 3.26Å; I68-L71 HydrophobicContact CG2-CB 4.07Å; I68-L88 HydrophobicContact CB-CD1 4.48Å; I68-L88 HydrophobicContact CD1-CD1 4.01Å; I68-L88 HydrophobicContact CG1-CD1 3.98Å; I68-L88 HydrophobicContact CG2-CD1 3.77Å; I68-Y90 HydrophobicContact CG1-CD1 4.21Å; I68-Y90 HydrophobicContact CG1-CE1 3.96Å
69Y87.9Confident90.1Very high99 Ų9973 Ų7339%0.38835%0.348SS..EExtended strand (participates in β ladder)trans-90.2-46.8171.4175.5-100000111.2P35 K37 T89P35-Y69 HydrophobicContact CG-CD2 4.25Å; P35-Y69 VanDerWaalsContact O-CD2 3.22Å; P35-Y69 WeakPolarHBondContact O-CD2 2.96Å; P35-Y69 VanDerWaalsContact O-CE2 3.26Å; P35-Y69 WeakPolarHBondContact O-CE2 3.43Å; K37-Y69 HydrophobicContact CB-CD1 4.35Å; K37-Y69 HydrophobicContact CB-CD2 3.72Å; K37-Y69 HydrophobicContact CB-CE1 4.33Å; K37-Y69 HydrophobicContact CB-CE2 3.71Å; K37-Y69 HydrophobicContact CB-CG 4.05Å; K37-Y69 HydrophobicContact CD-CD1 3.95Å; K37-Y69 HydrophobicContact CD-CE1 4Å; K37-Y69 HydrophobicContact CD-CG 4.37Å; K37-Y69 HydrophobicContact CG-CD1 4.33Å; K37-Y69 HydrophobicContact CG-CD2 4.42Å; K37-Y69 HydrophobicContact CG-CG 4.26Å; Y69-T89 WeakPolarHBondContact CB-O 3.27Å; Y69-T89 HydrophobicContact CD1-CG2 4.03Å; Y69-T89 PolarHBondContact N-O 2.73Å
70E89.9Confident89.7Confident58 Ų5871.3 Ų71.327%0.27135%0.353SS..EExtended strand (participates in β ladder)trans-147.1132-176175.5-165.3-137.100108.4K43 L88 T89K43-E70 IonicContact NZ-OE1 2.73Å; K43-E70 PolarHBondContact NZ-OE1 3.18Å; K43-E70 IonicContact NZ-OE2 3.7Å; K43-E70 PolarHBondContact NZ-OE2 3.2Å; E70-L88 CarbonylContact O-C 3.51Å; E70-T89 PolarHBondContact N-O 2.67Å; E70-T89 VanDerWaalsContact N-O 3.11Å; E70-T89 PolarHBondContact O-N 3.19Å; E70-T89 PolarHBondContact OE2-OG1 2.87Å
71L93.2Very high89.2Confident24 Ų2472.5 Ų72.513%0.12635%0.353CS..EExtended strand (participates in β ladder)trans-132.4121.9168.2170.359.3000106.7E55 L58 K59 I68 A86 F87 L88E55-L71 HydrophobicContact CB-CG 4.45Å; E55-L71 HydrophobicContact CG-CG 4.35Å; L58-L71 HydrophobicContact CB-CD2 4.06Å; K59-L71 HydrophobicContact CB-CD2 4.01Å; I68-L71 HydrophobicContact CG2-CB 4.07Å; L71-A86 HydrophobicContact CD1-CB 4.06Å; L71-F87 WeakPolarHBondContact CA-O 3.35Å; L71-L88 HydrophobicContact CB-CD1 4.16Å; L71-L88 HydrophobicContact CD1-CB 4.22Å; L71-L88 HydrophobicContact CD1-CD1 4.17Å
72T92Very high89.2Confident56 Ų5671.9 Ų71.934%0.34435%0.349SS..EExtended strand (participates in β ladder)trans-131.8115.8-175.7-490000109.6E55 A86 F87E55-T72 WeakPolarHBondContact OE1-CA 3.08Å; T72-A86 CarbonylContact O-C 3.48Å; T72-A86 VanDerWaalsContact O-CA 3.29Å; T72-A86 WeakPolarHBondContact O-CA 3.45Å; T72-A86 WeakPolarHBondContact O-CB 3.41Å; T72-F87 PolarHBondContact N-O 3.04Å; T72-F87 PolarHBondContact O-N 3.04Å
73V92.8Very high89.1Confident8 Ų877 Ų775%0.04837%0.372CS..EExtended strand (participates in β ladder)trans-75.5128173.81560000109.4E55 L58 K75 H82 A86E55-V73 HydrophobicContact CG-CB 3.9Å; E55-V73 HydrophobicContact CG-CG2 3.67Å; E55-V73 PolarHBondContact OE1-N 3.41Å; L58-V73 HydrophobicContact CD1-CG2 3.62Å; V73-K75 HydrophobicContact CG1-CG 3.92Å; V73-K75 PolarHBondContact O-N 3.15Å; V73-K75 VanDerWaalsContact O-N 3.07Å; V73-H82 WeakPolarHBondContact CG1-CD2 3.43Å; V73-H82 WeakPolarHBondContact CG1-NE2 3.4Å; V73-A86 HydrophobicContact CG2-CB 4.1Å
74L89.9Confident89Confident42 Ų4274.1 Ų74.122%0.2236%0.363CS..EExtended strand (participates in β ladder)trans-76.8103178.1-7677000108.9K83 C85 A86 F87L74-K83 HydrophobicContact CB-CB 4.29Å; L74-K83 HydrophobicContact CB-CD 4.41Å; L74-K83 VanDerWaalsContact O-CB 3.3Å; L74-K83 WeakPolarHBondContact O-CB 3.5Å; L74-K83 WeakPolarHBondContact O-CG 3.38Å; L74-K83 PolarHBondContact O-N 2.85Å; L74-C85 PolarHBondContact N-O 2.87Å; L74-A86 VanDerWaalsContact CD1-C 3.43Å; L74-A86 VanDerWaalsContact CD1-CA 3.49Å; L74-F87 HydrophobicContact CD1-CB 4.43Å; L74-F87 HydrophobicContact CD1-CD2 3.6Å; L74-F87 HydrophobicContact CD1-CE2 4.03Å; L74-F87 HydrophobicContact CD1-CG 4.02Å; L74-F87 HydrophobicContact CD2-CD2 4.38Å; L74-F87 HydrophobicContact CD2-CE2 3.96Å; L74-F87 HydrophobicContact CD2-CZ 4.48Å; L74-F87 HydrophobicContact CG-CD2 4.26Å; L74-F87 HydrophobicContact CG-CE2 4.31Å
75K89.8Confident89Confident98 Ų9868.2 Ų68.243%0.42634%0.336SS..EExtended strand (participates in β ladder)trans-94153.2169.2-60.9-174177.6179.40110.1E54 V73 M81E54-K75 IonicContact OE1-NZ 2.69Å; E54-K75 PolarHBondContact OE1-NZ 2.97Å; V73-K75 HydrophobicContact CG1-CG 3.92Å; V73-K75 PolarHBondContact O-N 3.15Å; V73-K75 VanDerWaalsContact O-N 3.07Å; K75-M81 CarbonylContact C-O 3.39Å; K75-M81 WeakPolarHBondContact CA-O 3.3Å
76D83.9Confident89Confident37 Ų3766.4 Ų66.420%0.19833%0.329CS..  trans-70.6136.7169.1-169.6-90.5000111F78 T79 G80 M81 K83D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 2.9Å; D76-F78 WeakPolarHBondContact OD1-CA 3.39Å; D76-F78 WeakPolarHBondContact OD1-CB 3.46Å; D76-F78 PolarHBondContact OD1-N 2.99Å; D76-T79 WeakPolarHBondContact CB-OG1 3.34Å; D76-T79 PolarHBondContact OD1-N 2.76Å; D76-G80 WeakPolarHBondContact O-CA 3.48Å; D76-G80 PolarHBondContact O-N 3.05Å; D76-M81 PolarHBondContact N-O 3.17Å; D76-K83 IonicContact OD2-NZ 2.67Å; D76-K83 PolarHBondContact OD2-NZ 3.11Å
77R81.1Confident89.1Confident232 Ų23268.2 Ų68.288%0.87533%0.33SS*.THydrogen-bonded Turntrans-71.2-24.6-175.7-171.6174.2-179.8-178.50.6113
78F75.4Confident89.2Confident188 Ų18862.6 Ų62.683%0.82531%0.306SS*.THydrogen-bonded Turntrans-99.8-40.2-176.6-56.4-78.4000112D76D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 2.9Å; D76-F78 WeakPolarHBondContact OD1-CA 3.39Å; D76-F78 WeakPolarHBondContact OD1-CB 3.46Å; D76-F78 PolarHBondContact OD1-N 2.99Å
79T85.9Confident89.1Confident89 Ų8961.9 Ų61.955%0.54630%0.302SS..THydrogen-bonded Turntrans-100.1-8.8-178.870.40000114.4D76 M81D76-T79 WeakPolarHBondContact CB-OG1 3.34Å; D76-T79 PolarHBondContact OD1-N 2.76Å; T79-M81 PolarHBondContact O-N 3.04Å; T79-M81 WeakPolarHBondContact OG1-CG 3.46Å; T79-M81 PolarHBondContact OG1-N 3.07Å
80G83.6Confident89.4Confident46 Ų4657.2 Ų57.247%0.47428%0.284SS..  trans68.1-3.1-174.300000114.8D76D76-G80 WeakPolarHBondContact O-CA 3.48Å; D76-G80 PolarHBondContact O-N 3.05Å
81M84.3Confident89.2Confident111 Ų11155.3 Ų55.355%0.54728%0.277SS..  trans-75.5139.9-171.2-64-166.48500112.8K75 D76 T79 K83K75-M81 CarbonylContact C-O 3.39Å; K75-M81 WeakPolarHBondContact CA-O 3.3Å; D76-M81 PolarHBondContact N-O 3.17Å; T79-M81 PolarHBondContact O-N 3.04Å; T79-M81 WeakPolarHBondContact OG1-CG 3.46Å; T79-M81 PolarHBondContact OG1-N 3.07Å; M81-K83 PolarHBondContact O-N 2.95Å
82H92.3Very high89Confident12 Ų1256 Ų566%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-58.9119.4175.3-172.4-69000111.6R51 L53 V73 G84R51-H82 HydrophobicContact CB-CB 4.07Å; R51-H82 WeakPolarHBondContact CD-O 3.21Å; R51-H82 HydrophobicContact CG-CB 4.48Å; R51-H82 WeakPolarHBondContact CG-O 3.19Å; R51-H82 VanDerWaalsContact O-CB 3.3Å; R51-H82 WeakPolarHBondContact O-CB 3.36Å; L53-H82 PolarHBondContact O-CD2 2.77Å; L53-H82 PolarHBondContact O-NE2 2.91Å; V73-H82 WeakPolarHBondContact CG1-CD2 3.43Å; V73-H82 WeakPolarHBondContact CG1-NE2 3.4Å; H82-G84 WeakPolarHBondContact ND1-CA 3.45Å; H82-G84 PolarHBondContact ND1-N 3.22Å; H82-G84 PolarHBondContact O-N 2.94Å
83K90.1Very high88.8Confident109 Ų10958.8 Ų58.847%0.47429%0.29SS..EExtended strand (participates in β ladder)trans-72-10.8-176.2-69.7-169.9177.1-66.70114.6L74 D76 M81L74-K83 HydrophobicContact CB-CB 4.29Å; L74-K83 HydrophobicContact CB-CD 4.41Å; L74-K83 VanDerWaalsContact O-CB 3.3Å; L74-K83 WeakPolarHBondContact O-CB 3.5Å; L74-K83 WeakPolarHBondContact O-CG 3.38Å; L74-K83 PolarHBondContact O-N 2.85Å; D76-K83 IonicContact OD2-NZ 2.67Å; D76-K83 PolarHBondContact OD2-NZ 3.11Å; M81-K83 PolarHBondContact O-N 2.95Å
84G91.9Very high88.6Confident16 Ų1664 Ų6417%0.16532%0.315CS..EExtended strand (participates in β ladder)trans98.716-178.300000113.5Q48 I49 H82Q48-G84 PolarHBondContact N-O 3.08Å; I49-G84 PolarHBondContact N-O 2.99Å; I49-G84 WeakPolarHBondContact O-CA 3.44Å; H82-G84 WeakPolarHBondContact ND1-CA 3.45Å; H82-G84 PolarHBondContact ND1-N 3.22Å; H82-G84 PolarHBondContact O-N 2.94Å
85C93.6Very high88.8Confident15 Ų1563 Ų6310%0.10131%0.31CS..EExtended strand (participates in β ladder)trans-154.4161.3-176.352.20000112.7F45 I46 L74F45-C85 HydrophobicContact CE1-CB 4.35Å; F45-C85 HydrophobicContact CE2-CB 3.56Å; F45-C85 HydrophobicContact CZ-CB 3.44Å; F45-C85 VanDerWaalsContact CZ-CB 3.44Å; I46-C85 CarbonylContact O-C 3.56Å; I46-C85 WeakPolarHBondContact O-CA 3.29Å; I46-C85 WeakPolarHBondContact O-CB 3.19Å; L74-C85 PolarHBondContact N-O 2.87Å
86A94.5Very high88.9Confident0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-134161.2173.700000110.4I46 I49 L71 T72 V73 L74I46-A86 HydrophobicContact CB-CB 4.35Å; I46-A86 WeakPolarHBondContact CB-O 3.38Å; I46-A86 PolarHBondContact N-O 3.2Å; I46-A86 PolarHBondContact O-N 2.84Å; I49-A86 HydrophobicContact CD1-CB 3.59Å; L71-A86 HydrophobicContact CD1-CB 4.06Å; T72-A86 CarbonylContact O-C 3.48Å; T72-A86 VanDerWaalsContact O-CA 3.29Å; T72-A86 WeakPolarHBondContact O-CA 3.45Å; T72-A86 WeakPolarHBondContact O-CB 3.41Å; V73-A86 HydrophobicContact CG2-CB 4.1Å; L74-A86 VanDerWaalsContact CD1-C 3.43Å; L74-A86 VanDerWaalsContact CD1-CA 3.49Å
87F94.5Very high89.3Confident60 Ų6060 Ų6026%0.26330%0.299SS..EExtended strand (participates in β ladder)trans-103.7142160.4-74.8-57.9000109.9K43 L44 F45 L71 T72 L74 A121K43-F87 VanDerWaalsContact CE-CB 3.4Å; K43-F87 HydrophobicContact CG-CD1 4.48Å; L44-F87 CarbonylContact O-C 3.56Å; L44-F87 WeakPolarHBondContact O-CA 3.21Å; F45-F87 HydrophobicContact CB-CD1 4.28Å; F45-F87 HydrophobicContact CB-CE1 4.12Å; F45-F87 HydrophobicContact CD2-CD1 4.22Å; F45-F87 AromaticContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CZ 4.4Å; F45-F87 HydrophobicContact CG-CE1 4.47Å; L71-F87 WeakPolarHBondContact CA-O 3.35Å; T72-F87 PolarHBondContact N-O 3.04Å; T72-F87 PolarHBondContact O-N 3.04Å; L74-F87 HydrophobicContact CD1-CB 4.43Å; L74-F87 HydrophobicContact CD1-CD2 3.6Å; L74-F87 HydrophobicContact CD1-CE2 4.03Å; L74-F87 HydrophobicContact CD1-CG 4.02Å; L74-F87 HydrophobicContact CD2-CD2 4.38Å; L74-F87 HydrophobicContact CD2-CE2 3.96Å; L74-F87 HydrophobicContact CD2-CZ 4.48Å; L74-F87 HydrophobicContact CG-CD2 4.26Å; L74-F87 HydrophobicContact CG-CE2 4.31Å; F87-A121 HydrophobicContact CD1-CB 3.9Å; F87-A121 HydrophobicContact CE1-CB 3.67Å
88L94.1Very high90Very high0 Ų054 Ų540%028%0.279CS..EExtended strand (participates in β ladder)trans-134.7124.6-178.217264.5000110.1L44 I46 F62 I68 E70 L71 Y90L44-L88 HydrophobicContact CB-CB 4.44Å; L44-L88 WeakPolarHBondContact CB-O 3.19Å; L44-L88 HydrophobicContact CD1-CD2 4.4Å; L44-L88 PolarHBondContact N-O 2.98Å; L44-L88 PolarHBondContact O-N 2.84Å; I46-L88 HydrophobicContact CD1-CB 4.04Å; I46-L88 HydrophobicContact CD1-CD2 3.98Å; I46-L88 HydrophobicContact CG1-CB 3.83Å; I46-L88 HydrophobicContact CG1-CD2 4.37Å; F62-L88 HydrophobicContact CB-CD1 4.35Å; F62-L88 HydrophobicContact CB-CD2 3.79Å; F62-L88 HydrophobicContact CD1-CD2 3.28Å; F62-L88 HydrophobicContact CD2-CD2 4.14Å; F62-L88 HydrophobicContact CE1-CD2 3.85Å; F62-L88 HydrophobicContact CG-CD2 3.47Å; F62-L88 VanDerWaalsContact CG-CD2 3.47Å; I68-L88 HydrophobicContact CB-CD1 4.48Å; I68-L88 HydrophobicContact CD1-CD1 4.01Å; I68-L88 HydrophobicContact CG1-CD1 3.98Å; I68-L88 HydrophobicContact CG2-CD1 3.77Å; E70-L88 CarbonylContact O-C 3.51Å; L71-L88 HydrophobicContact CB-CD1 4.16Å; L71-L88 HydrophobicContact CD1-CB 4.22Å; L71-L88 HydrophobicContact CD1-CD1 4.17Å; L88-Y90 HydrophobicContact CD2-CD2 4.36Å; L88-Y90 HydrophobicContact CD2-CE2 3.52Å; L88-Y90 HydrophobicContact CG-CD2 4.29Å; L88-Y90 HydrophobicContact CG-CE2 3.92Å
89T90.9Very high90.9Very high0 Ų045.1 Ų45.10%024%0.24CC..EExtended strand (participates in β ladder)trans-115.9119.6173.5-51.50000108K37 Y69 E70K37-T89 HydrophobicContact CD-CG2 4.01Å; Y69-T89 WeakPolarHBondContact CB-O 3.27Å; Y69-T89 HydrophobicContact CD1-CG2 4.03Å; Y69-T89 PolarHBondContact N-O 2.73Å; E70-T89 PolarHBondContact N-O 2.67Å; E70-T89 VanDerWaalsContact N-O 3.11Å; E70-T89 PolarHBondContact O-N 3.19Å; E70-T89 PolarHBondContact OE2-OG1 2.87Å
90Y92.8Very high91.3Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-81.2161.3169.4-74.4-81.6000110.9A41 L44 F62 F65 G66 I68 L88 A92 A96 A99A41-Y90 WeakPolarHBondContact CB-O 3.36Å; L44-Y90 HydrophobicContact CD1-CD2 4.08Å; L44-Y90 HydrophobicContact CD1-CE2 3.84Å; F62-Y90 WeakPolarHBondContact CB-OH 3.37Å; F62-Y90 VanDerWaalsContact O-CE1 3.31Å; F62-Y90 WeakPolarHBondContact O-CE1 3.22Å; F62-Y90 PolarHBondContact O-OH 3.05Å; F65-Y90 HydrophobicContact CB-CE1 4.33Å; G66-Y90 WeakPolarHBondContact O-CE1 3.35Å; I68-Y90 HydrophobicContact CG1-CD1 4.21Å; I68-Y90 HydrophobicContact CG1-CE1 3.96Å; L88-Y90 HydrophobicContact CD2-CD2 4.36Å; L88-Y90 HydrophobicContact CD2-CE2 3.52Å; L88-Y90 HydrophobicContact CG-CD2 4.29Å; L88-Y90 HydrophobicContact CG-CE2 3.92Å; Y90-A92 VanDerWaalsContact C-N 3.26Å; Y90-A92 WeakPolarHBondContact CB-O 3.44Å; Y90-A92 PolarHBondContact O-N 2.88Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; Y90-A99 HydrophobicContact CE2-CB 3.56Å; Y90-A99 VanDerWaalsContact OH-CB 3.29Å; Y90-A99 WeakPolarHBondContact OH-CB 3.27Å
91C86.9Confident91.8Very high18 Ų1846 Ų4612%0.12224%0.237CC..SBendtrans-68.7-26.4173.4-59.70000112.9D38 K67D38-C91 WeakPolarHBondContact CB-O 3.49Å; D38-C91 PolarHBondContact N-O 3.39Å; K67-C91 HydrophobicContact CB-CB 4.42Å; K67-C91 PolarHBondContact O-N 2.89Å; K67-C91 PolarHBondContact O-SG 3.09Å; K67-C91 VanDerWaalsContact O-SG 3.35Å
92A88.1Confident92.2Very high40 Ų4043 Ų4333%0.33123%0.229SC..SBendtrans-133.8148.4-177.700000111.4Y90 E94 S95Y90-A92 VanDerWaalsContact C-N 3.26Å; Y90-A92 WeakPolarHBondContact CB-O 3.44Å; Y90-A92 PolarHBondContact O-N 2.88Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 3.19Å; A92-S95 PolarHBondContact O-N 2.9Å
93R87.5Confident92.3Very high113 Ų11342.5 Ų42.543%0.42623%0.227SC..Hα-helixtrans-58.5-40.9-179.8178.1166.7172.6-176.61.2113.8D40 I42 S95 A96 L97D40-R93 WeakPolarHBondContact OD1-CD 3.41Å; D40-R93 IonicContact OD1-CZ 2.78Å; D40-R93 IonicContact OD1-NH1 3.6Å; D40-R93 PolarHBondContact OD1-NH1 2.68Å; D40-R93 WeakPolarHBondContact OD2-CD 3.45Å; D40-R93 IonicContact OD2-CZ 2.6Å; D40-R93 IonicContact OD2-NE 2.64Å; D40-R93 IonicContact OD2-NH1 2.67Å; D40-R93 PolarHBondContact OD2-NH1 2.85Å; I42-R93 HydrophobicContact CD1-CG 3.77Å; I42-R93 HydrophobicContact CG1-CG 4.13Å; R93-S95 VanDerWaalsContact C-N 3.3Å; R93-S95 PolarHBondContact O-N 3.15Å; R93-A96 WeakPolarHBondContact O-CB 3.43Å; R93-A96 PolarHBondContact O-N 2.86Å; R93-L97 HydrophobicContact CG-CD1 4.1Å; R93-L97 HydrophobicContact CG-CG 4.36Å; R93-L97 PolarHBondContact O-N 2.76Å; R93-L97 VanDerWaalsContact O-N 3.09Å
94E89.9Confident92.5Very high119 Ų11939.3 Ų39.356%0.55621%0.214SC*.Hα-helixtrans-64.5-35.5-172.9-154.7-167.8135.600112.2A92 A96 L97 K98A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 3.19Å; E94-A96 VanDerWaalsContact C-N 3.35Å; E94-L97 PolarHBondContact O-N 3.44Å; E94-K98 HydrophobicContact CG-CD 4.5Å; E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.19Å; E94-K98 WeakPolarHBondContact OE1-CE 3.44Å; E94-K98 IonicContact OE1-NZ 2.6Å; E94-K98 PolarHBondContact OE1-NZ 2.91Å
95S94.4Very high92.5Very high19 Ų1943.1 Ų43.113%0.13323%0.227CC..Hα-helixtrans-63.2-38.5172-69.50000112.6F65 A92 R93 K98 A99F65-S95 WeakPolarHBondContact O-CA 3.27Å; F65-S95 WeakPolarHBondContact O-CB 3.34Å; F65-S95 PolarHBondContact O-OG 2.84Å; A92-S95 PolarHBondContact O-N 2.9Å; R93-S95 VanDerWaalsContact C-N 3.3Å; R93-S95 PolarHBondContact O-N 3.15Å; S95-K98 PolarHBondContact O-N 3.02Å; S95-A99 VanDerWaalsContact O-CB 3.3Å; S95-A99 WeakPolarHBondContact O-CB 3.14Å; S95-A99 PolarHBondContact O-N 3.27Å
96A91.9Very high92.4Very high0 Ų049.1 Ų49.10%025%0.254CS..Hα-helixtrans-65.5-40.4175.900000112I42 L44 Y90 R93 E94 Q100I42-A96 HydrophobicContact CB-CB 4.02Å; I42-A96 HydrophobicContact CG2-CB 4.42Å; L44-A96 HydrophobicContact CD1-CB 3.94Å; L44-A96 HydrophobicContact CD2-CB 4.31Å; L44-A96 HydrophobicContact CG-CB 4.15Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; R93-A96 WeakPolarHBondContact O-CB 3.43Å; R93-A96 PolarHBondContact O-N 2.86Å; E94-A96 VanDerWaalsContact C-N 3.35Å; A96-Q100 WeakPolarHBondContact O-CB 3.24Å; A96-Q100 PolarHBondContact O-N 2.93Å
97L92Very high92.1Very high73 Ų7353.3 Ų53.338%0.38227%0.272SS..Hα-helixtrans-68.1-40.2175.6-63.8175000112.2I42 R93 E94 Q100 S101I42-L97 HydrophobicContact CD1-CD2 4.5Å; R93-L97 HydrophobicContact CG-CD1 4.1Å; R93-L97 HydrophobicContact CG-CG 4.36Å; R93-L97 PolarHBondContact O-N 2.76Å; R93-L97 VanDerWaalsContact O-N 3.09Å; E94-L97 PolarHBondContact O-N 3.44Å; L97-Q100 PolarHBondContact O-N 3.42Å; L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 2.97Å; L97-S101 VanDerWaalsContact O-OG 3.11Å
98K94.9Very high91.9Very high107 Ų10754.1 Ų54.147%0.46528%0.282SS..Hα-helixtrans-62-48.7174-77165.6170.51690111.5F65 E94 S95 Q100 S101 A102F65-K98 HydrophobicContact CD1-CB 4.45Å; E94-K98 HydrophobicContact CG-CD 4.5Å; E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.19Å; E94-K98 WeakPolarHBondContact OE1-CE 3.44Å; E94-K98 IonicContact OE1-NZ 2.6Å; E94-K98 PolarHBondContact OE1-NZ 2.91Å; S95-K98 PolarHBondContact O-N 3.02Å; K98-Q100 VanDerWaalsContact C-N 3.34Å; K98-Q100 PolarHBondContact O-N 3.34Å; K98-S101 PolarHBondContact O-N 3.36Å; K98-A102 VanDerWaalsContact O-CB 3.28Å; K98-A102 WeakPolarHBondContact O-CB 3.31Å; K98-A102 PolarHBondContact O-N 2.88Å
99A94.9Very high91.7Very high0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-61.8-40.2176.500000112.4L44 F65 Y90 S95 L103L44-A99 HydrophobicContact CD1-CB 4.44Å; F65-A99 HydrophobicContact CB-CB 3.83Å; F65-A99 HydrophobicContact CD2-CB 3.99Å; F65-A99 HydrophobicContact CG-CB 3.85Å; Y90-A99 HydrophobicContact CE2-CB 3.56Å; Y90-A99 VanDerWaalsContact OH-CB 3.29Å; Y90-A99 WeakPolarHBondContact OH-CB 3.27Å; S95-A99 VanDerWaalsContact O-CB 3.3Å; S95-A99 WeakPolarHBondContact O-CB 3.14Å; S95-A99 PolarHBondContact O-N 3.27Å; A99-L103 VanDerWaalsContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 PolarHBondContact O-N 3.46Å
100Q93.8Very high91.5Very high55 Ų5560 Ų6026%0.25732%0.32SS..Hα-helixtrans-61-54174.3-176.1177.1-5.300111A96 L97 K98 A102 L103 H104 V118A96-Q100 WeakPolarHBondContact O-CB 3.24Å; A96-Q100 PolarHBondContact O-N 2.93Å; L97-Q100 PolarHBondContact O-N 3.42Å; K98-Q100 VanDerWaalsContact C-N 3.34Å; K98-Q100 PolarHBondContact O-N 3.34Å; Q100-A102 VanDerWaalsContact C-N 3.34Å; Q100-A102 PolarHBondContact O-N 3.5Å; Q100-L103 PolarHBondContact O-N 3.11Å; Q100-H104 HydrophobicContact CG-CB 4.34Å; Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.38Å; Q100-V118 HydrophobicContact CB-CG1 4.1Å; Q100-V118 HydrophobicContact CG-CG1 4.47Å
101S93.4Very high91.1Very high100 Ų10063.7 Ų63.770%0.69936%0.357SS*.Hα-helixtrans-63.4-35.8-177.7-620000113.6L97 K98L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 2.97Å; L97-S101 VanDerWaalsContact O-OG 3.11Å; K98-S101 PolarHBondContact O-N 3.36Å
102A93.9Very high91.1Very high46 Ų4665 Ų6538%0.3836%0.362SS..Hα-helixtrans-84.7-23.1-176.600000114.5F65 K98 Q100 Q106F65-A102 HydrophobicContact CD1-CB 4.13Å; F65-A102 HydrophobicContact CE1-CB 3.32Å; F65-A102 HydrophobicContact CZ-CB 3.8Å; K98-A102 VanDerWaalsContact O-CB 3.28Å; K98-A102 WeakPolarHBondContact O-CB 3.31Å; K98-A102 PolarHBondContact O-N 2.88Å; Q100-A102 VanDerWaalsContact C-N 3.34Å; Q100-A102 PolarHBondContact O-N 3.5Å; A102-Q106 WeakPolarHBondContact O-CB 3.22Å
103L94.1Very high91Very high3 Ų370.8 Ų70.82%0.01639%0.387CS..Hα-helixtrans-114.2-30-175.5-60.7176.4000113.9F62 F65 A99 Q100 E105 Q106 K107 I116 V118F62-L103 HydrophobicContact CD1-CD1 3.66Å; F62-L103 HydrophobicContact CE1-CD1 3.29Å; F62-L103 HydrophobicContact CZ-CD1 4.2Å; F65-L103 HydrophobicContact CD2-CD1 4.18Å; F65-L103 HydrophobicContact CE2-CD1 3.63Å; F65-L103 HydrophobicContact CE2-CD2 4.05Å; F65-L103 HydrophobicContact CE2-CG 3.83Å; F65-L103 HydrophobicContact CZ-CD1 4.3Å; F65-L103 HydrophobicContact CZ-CD2 4.03Å; F65-L103 HydrophobicContact CZ-CG 3.98Å; A99-L103 VanDerWaalsContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 PolarHBondContact O-N 3.46Å; Q100-L103 PolarHBondContact O-N 3.11Å; L103-E105 PolarHBondContact O-N 2.93Å; L103-Q106 PolarHBondContact O-N 3.28Å; L103-K107 HydrophobicContact CD2-CB 4.16Å; L103-K107 HydrophobicContact CD2-CD 3.74Å; L103-I116 HydrophobicContact CB-CG2 3.92Å; L103-I116 WeakPolarHBondContact O-CG2 3.28Å; L103-V118 HydrophobicContact CB-CG2 3.72Å; L103-V118 HydrophobicContact CD1-CG2 4.33Å
104H94Very high91.2Very high42 Ų4272.8 Ų72.819%0.19440%0.395CS..THydrogen-bonded Turntrans-60.7109.9-173.1-172.266.8000112Q100 Q106 V118 K119Q100-H104 HydrophobicContact CG-CB 4.34Å; Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.38Å; H104-Q106 WeakPolarHBondContact O-CG 3.5Å; H104-Q106 PolarHBondContact O-N 3.43Å; H104-Q106 PolarHBondContact O-NE2 2.87Å; H104-Q106 VanDerWaalsContact O-NE2 3.15Å; H104-V118 HydrophobicContact CB-CB 4.38Å; H104-V118 VanDerWaalsContact CG-O 3.27Å; H104-V118 PolarHBondContact ND1-N 2.92Å; H104-V118 PolarHBondContact ND1-O 3.01Å; H104-K119 WeakPolarHBondContact CE1-CE 3.04Å
105E92.2Very high91.2Very high96 Ų9668.9 Ų68.945%0.44938%0.38SS..THydrogen-bonded Turntrans59.411-176.9-57.1-170.4160.600114.6L103 P115 I116 Q117L103-E105 PolarHBondContact O-N 2.93Å; E105-P115 HydrophobicContact CB-CG 3.95Å; E105-P115 HydrophobicContact CG-CG 4.3Å; E105-P115 WeakPolarHBondContact O-CB 3.37Å; E105-P115 WeakPolarHBondContact O-CG 3.23Å; E105-I116 PolarHBondContact N-O 2.9Å; E105-Q117 HydrophobicContact CG-CG 4.15Å; E105-Q117 PolarHBondContact OE1-NE2 2.75Å
106Q91Very high91.2Very high140 Ų14068 Ų6865%0.65437%0.374SS*.THydrogen-bonded Turntrans-91.6-37.8177.6-56.4-49.9-56.700113.6A102 L103 H104A102-Q106 WeakPolarHBondContact O-CB 3.22Å; L103-Q106 PolarHBondContact O-N 3.28Å; H104-Q106 WeakPolarHBondContact O-CG 3.5Å; H104-Q106 PolarHBondContact O-N 3.43Å; H104-Q106 PolarHBondContact O-NE2 2.87Å; H104-Q106 VanDerWaalsContact O-NE2 3.15Å
107K88.3Confident91.2Very high88 Ų8870.3 Ų70.338%0.38338%0.384SS..  trans-119.5112.7-167.7-165.9169.4-173.3169.30112.1L61 L103 I116L61-K107 HydrophobicContact CD1-CD 4Å; L103-K107 HydrophobicContact CD2-CB 4.16Å; L103-K107 HydrophobicContact CD2-CD 3.74Å; K107-I116 HydrophobicContact CB-CG2 4.19Å; K107-I116 WeakPolarHBondContact O-CB 3.4Å; K107-I116 VanDerWaalsContact O-CG2 3.27Å; K107-I116 WeakPolarHBondContact O-CG2 3.18Å; K107-I116 PolarHBondContact O-N 3.4Å
108T91.2Very high91.4Very high78 Ų7866.8 Ų66.848%0.47937%0.366SS..PPolyproline II helixtrans-84.8126.1171.9-58.30000110.4M112 P115T108-M112 HydrophobicContact CG2-CB 4.2Å; T108-M112 VanDerWaalsContact CG2-O 3.25Å; T108-M112 WeakPolarHBondContact CG2-O 3.04Å; T108-P115 WeakPolarHBondContact OG1-CA 3.26Å
109L90Very high91.3Very high13 Ų1366.5 Ų66.57%0.06837%0.365CS..PPolyproline II helixtrans-80.2148.1176-66.8177.8000111.1I49 P50 L53 L61 G111 M112 I116I49-L109 HydrophobicContact CG2-CD1 4.46Å; P50-L109 HydrophobicContact CG-CB 3.81Å; P50-L109 HydrophobicContact CG-CD1 4.42Å; L53-L109 HydrophobicContact CD1-CD1 4.32Å; L61-L109 HydrophobicContact CD2-CD2 3.77Å; L109-G111 PolarHBondContact O-N 3.28Å; L109-M112 HydrophobicContact CB-CG 4.19Å; L109-M112 WeakPolarHBondContact O-CB 3.45Å; L109-M112 PolarHBondContact O-N 3.08Å; L109-I116 HydrophobicContact CD1-CD1 3.85Å; L109-I116 HydrophobicContact CD1-CG1 4.38Å; L109-I116 HydrophobicContact CG-CD1 4.36Å
110P86.4Confident90.9Very high111 Ų11169.9 Ų69.972%0.72139%0.387SS*.THydrogen-bonded Turntrans-53.4129.7179.5-27.235.4000112.5P50P50-P110 VanDerWaalsContact CG-O 3.27Å; P50-P110 WeakPolarHBondContact CG-O 3.28Å
111G83.7Confident90.4Very high76 Ų7668 Ų6878%0.78438%0.38SS*.THydrogen-bonded Turntrans85.2-5-176.500000115.6L109L109-G111 PolarHBondContact O-N 3.28Å
112M88.4Confident89.2Confident45 Ų4570.1 Ų70.122%0.22238%0.384CS..  trans-92.4143.1174.3-62.2-57-60.400112.4Q48 P50 T108 L109Q48-M112 HydrophobicContact CB-CE 3.99Å; Q48-M112 VanDerWaalsContact OE1-CE 3.3Å; P50-M112 HydrophobicContact CB-SD 4.36Å; P50-M112 HydrophobicContact CG-CG 3.82Å; P50-M112 HydrophobicContact CG-SD 4.19Å; T108-M112 HydrophobicContact CG2-CB 4.2Å; T108-M112 VanDerWaalsContact CG2-O 3.25Å; T108-M112 WeakPolarHBondContact CG2-O 3.04Å; L109-M112 HydrophobicContact CB-CG 4.19Å; L109-M112 WeakPolarHBondContact O-CB 3.45Å; L109-M112 PolarHBondContact O-N 3.08Å
113N85.7Confident87.5Confident162 Ų16271.3 Ų71.387%0.86639%0.389SS*.SBendtrans-94.69.1174.8-68.3-84.6000112.9
114R90.2Very high85.5Confident156 Ų15678.9 Ų78.959%0.58943%0.425SS*.SBendtrans-148149.4179.5-69.5-169175.6-148.2-4.4109.9Q48Q48-R114 HydrophobicContact CG-CB 4.08Å
115P90.8Very high83.5Confident37 Ų3779.4 Ų79.424%0.2444%0.441CS..  trans-69.8159.2176.132.3-37.5000112.1Q48 E105 T108Q48-P115 WeakPolarHBondContact CB-O 3.4Å; Q48-P115 WeakPolarHBondContact CG-O 3.49Å; E105-P115 HydrophobicContact CB-CG 3.95Å; E105-P115 HydrophobicContact CG-CG 4.3Å; E105-P115 WeakPolarHBondContact O-CB 3.37Å; E105-P115 WeakPolarHBondContact O-CG 3.23Å; T108-P115 WeakPolarHBondContact OG1-CA 3.26Å
116I93.9Very high81.6Confident0 Ų082.2 Ų82.20%045%0.448CS..  trans-63.7134.5-177.9-158.7176000111.1I46 G47 F62 L103 E105 K107 L109 V118I46-I116 HydrophobicContact CG2-CD1 3.67Å; I46-I116 HydrophobicContact CG2-CG1 3.86Å; G47-I116 WeakPolarHBondContact O-CG1 3.48Å; F62-I116 HydrophobicContact CZ-CD1 3.73Å; L103-I116 HydrophobicContact CB-CG2 3.92Å; L103-I116 WeakPolarHBondContact O-CG2 3.28Å; E105-I116 PolarHBondContact N-O 2.9Å; K107-I116 HydrophobicContact CB-CG2 4.19Å; K107-I116 WeakPolarHBondContact O-CB 3.4Å; K107-I116 VanDerWaalsContact O-CG2 3.27Å; K107-I116 WeakPolarHBondContact O-CG2 3.18Å; K107-I116 PolarHBondContact O-N 3.4Å; L109-I116 HydrophobicContact CD1-CD1 3.85Å; L109-I116 HydrophobicContact CD1-CG1 4.38Å; L109-I116 HydrophobicContact CG-CD1 4.36Å; I116-V118 HydrophobicContact CG2-CG2 4.46Å
117Q93.2Very high79.9Confident48 Ų4876.4 Ų76.422%0.22443%0.426CS..EExtended strand (participates in β ladder)trans-10885.2-174.6-73.1-172.6-41.800111G47 Q48 E105G47-Q117 PolarHBondContact N-O 3.28Å; G47-Q117 PolarHBondContact O-N 3.15Å; Q48-Q117 HydrophobicContact CG-CG 4.03Å; E105-Q117 HydrophobicContact CG-CG 4.15Å; E105-Q117 PolarHBondContact OE1-NE2 2.75Å
118V95.1Very high78.6Confident0 Ų075.1 Ų75.10%042%0.421CS..EExtended strand (participates in β ladder)trans-82.8115.2173.4-176.90000110.3L44 F45 I46 F62 Q100 L103 H104 I116L44-V118 HydrophobicContact CB-CG1 4.42Å; L44-V118 HydrophobicContact CD1-CG1 3.83Å; L44-V118 HydrophobicContact CD2-CG1 4.29Å; L44-V118 HydrophobicContact CG-CG1 4.42Å; F45-V118 WeakPolarHBondContact O-CA 3.05Å; I46-V118 HydrophobicContact CD1-CB 4.18Å; I46-V118 HydrophobicContact CD1-CG1 3.78Å; I46-V118 HydrophobicContact CD1-CG2 3.81Å; F62-V118 HydrophobicContact CE1-CG2 4.3Å; Q100-V118 HydrophobicContact CB-CG1 4.1Å; Q100-V118 HydrophobicContact CG-CG1 4.47Å; L103-V118 HydrophobicContact CB-CG2 3.72Å; L103-V118 HydrophobicContact CD1-CG2 4.33Å; H104-V118 HydrophobicContact CB-CB 4.38Å; H104-V118 VanDerWaalsContact CG-O 3.27Å; H104-V118 PolarHBondContact ND1-N 2.92Å; H104-V118 PolarHBondContact ND1-O 3.01Å; I116-V118 HydrophobicContact CG2-CG2 4.46Å
119K92.4Very high77.7Confident101 Ų10175 Ų7544%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-134.5158.7175.3-65.2-166.9178.4-168.80110.2L44 F45 H104 A121L44-K119 CarbonylContact C-O 3.53Å; L44-K119 WeakPolarHBondContact CA-O 3.36Å; F45-K119 PolarHBondContact N-O 2.99Å; F45-K119 PolarHBondContact O-N 3.24Å; H104-K119 WeakPolarHBondContact CE1-CE 3.04Å; K119-A121 PolarHBondContact O-N 3.28Å
120P88.4Confident77.6Confident71 Ų7176.1 Ų76.146%0.46142%0.421SS..EExtended strand (participates in β ladder)trans-51.7135.1161.9-23.634.8000109.8
121A83.3Confident77.9Confident14 Ų1473.2 Ų73.212%0.11640%0.397CS..PPolyproline II helixtrans-79.4125.817400000109.5K43 F45 F87 K119 S123K43-A121 HydrophobicContact CB-CB 4.37Å; K43-A121 HydrophobicContact CG-CB 4.16Å; K43-A121 WeakPolarHBondContact O-CB 3.35Å; K43-A121 PolarHBondContact O-N 2.81Å; F45-A121 HydrophobicContact CB-CB 4.25Å; F87-A121 HydrophobicContact CD1-CB 3.9Å; F87-A121 HydrophobicContact CE1-CB 3.67Å; K119-A121 PolarHBondContact O-N 3.28Å; A121-S123 PolarHBondContact O-N 3.41Å
122D66.8Low78.4Confident146 Ų14669.6 Ų69.678%0.78136%0.359SS*.PPolyproline II helixtrans-54.4127.4161.4-77.4-58.6000108.9E124D122-E124 HydrophobicContact CB-CG 4.26Å; D122-E124 PolarHBondContact O-N 2.94Å
123S59.3Low78.7Confident70 Ų7070 Ų7049%0.4936%0.36SS..  trans-82.649-173.4-67.90000111.9A121 G125 R126 G127A121-S123 PolarHBondContact O-N 3.41Å; S123-G125 PolarHBondContact O-N 3.14Å; S123-R126 PolarHBondContact O-N 3.14Å; S123-G127 PolarHBondContact O-N 2.8Å
124E50.7Low79.1Confident163 Ų16362.3 Ų62.376%0.76232%0.319SS*.THydrogen-bonded Turntrans-58.2-0.3-177.1-80.5-154.5121.700115.8D122D122-E124 HydrophobicContact CB-CG 4.26Å; D122-E124 PolarHBondContact O-N 2.94Å
125G52Low79.2Confident52 Ų5255 Ų5554%0.53629%0.292SS..THydrogen-bonded Turntrans-14225.8172.400000113.8S123S123-G125 PolarHBondContact O-N 3.14Å
126R53.7Low79.3Confident155 Ų15558.3 Ų58.359%0.58531%0.306SS*.THydrogen-bonded Turntrans-146.89.6168.7-67.8-163-172.9-156.74.2114S123 R130S123-R126 PolarHBondContact O-N 3.14Å; R126-R130 PolarHBondContact O-NE 3.24Å
127G54Low79.1Confident19 Ų1958.7 Ų58.720%0.19631%0.308CS..SBendtrans-82.7-25.1166.400000112.6S123 K131S123-G127 PolarHBondContact O-N 2.8Å; G127-K131 PolarHBondContact O-N 3.49Å
128E61.8Low78.8Confident61 Ų6156.5 Ų56.529%0.28530%0.298SS..G310 helixtrans-77.5-47.6-173.7-65163.3141.900110.3R130 K131 T210 K212E128-R130 PolarHBondContact O-N 2.82Å; E128-K131 PolarHBondContact O-N 2.8Å; E128-T210 HydrophobicContact CB-CG2 3.95Å; E128-T210 HydrophobicContact CG-CG2 3.76Å; E128-T210 WeakPolarHBondContact OE1-CB 3.26Å; E128-T210 WeakPolarHBondContact OE1-CG2 3.39Å; E128-K212 IonicContact OE1-NZ 3.39Å
129D72.6Confident78.5Confident75 Ų7564 Ų6440%0.40133%0.331SS..G310 helixtrans-61.8-2.5173.9-35.4-47.6000115H180 F207D129-H180 PolarHBondContact O-ND1 2.69Å; D129-F207 WeakPolarHBondContact O-CE1 3.38Å
130R87.9Confident78.3Confident37 Ų3766 Ų6614%0.1434%0.341CS..G310 helixtrans-119.2-7.2-179.6-59.3-168.1-70.5131.4-19.3113.3R126 E128 E157 K176 F177 S178 H180R126-R130 PolarHBondContact O-NE 3.24Å; E128-R130 PolarHBondContact O-N 2.82Å; R130-E157 IonicContact CZ-OE1 3.84Å; R130-E157 VanDerWaalsContact NH1-CD 3.28Å; R130-E157 IonicContact NH1-OE1 2.64Å; R130-E157 PolarHBondContact NH1-OE1 2.85Å; R130-E157 IonicContact NH1-OE2 2.65Å; R130-E157 PolarHBondContact NH1-OE2 3.39Å; R130-E157 IonicContact NH2-OE1 3.1Å; R130-K176 WeakPolarHBondContact O-CA 3.29Å; R130-F177 PolarHBondContact NH1-O 2.74Å; R130-F177 PolarHBondContact O-N 2.9Å; R130-S178 WeakPolarHBondContact CD-O 3.48Å; R130-S178 PolarHBondContact NH1-O 2.89Å; R130-H180 HydrophobicContact CG-CB 4.37Å
131K91.9Very high78.4Confident50 Ų5063.3 Ų63.322%0.21732%0.323CS..EExtended strand (participates in β ladder)trans-101.7118.3-179.1-165.3160.4-171.4159.80109.4G127 E128 E158 V175 K176 A208G127-K131 PolarHBondContact O-N 3.49Å; E128-K131 PolarHBondContact O-N 2.8Å; K131-E158 WeakPolarHBondContact CE-OE1 3.47Å; K131-E158 IonicContact NZ-OE1 3.75Å; K131-E158 PolarHBondContact NZ-OE1 3.11Å; K131-E158 IonicContact NZ-OE2 3.66Å; K131-E158 PolarHBondContact NZ-OE2 3.27Å; K131-V175 CarbonylContact C-O 3.52Å; K131-V175 WeakPolarHBondContact CA-O 3.17Å; K131-K176 HydrophobicContact CB-CG 4.35Å; K131-K176 HydrophobicContact CG-CB 4.39Å; K131-A208 HydrophobicContact CB-CB 4.32Å; K131-A208 HydrophobicContact CG-CB 4.15Å; K131-A208 WeakPolarHBondContact O-CB 3.01Å; K131-A208 PolarHBondContact O-N 2.99Å
132L94.1Very high78.9Confident0 Ų064.2 Ų64.20%033%0.328CS..EExtended strand (participates in β ladder)trans-96.7138.1177.5-56.4-174.9000110.5F150 F174 V175 F177 A183 A186 I187 V205 K206 F207L132-F150 HydrophobicContact CD1-CD1 4.4Å; L132-F150 HydrophobicContact CD1-CE1 4.01Å; L132-F174 VanDerWaalsContact O-CA 3.28Å; L132-F174 WeakPolarHBondContact O-CA 3.34Å; L132-V175 PolarHBondContact N-O 3.12Å; L132-V175 PolarHBondContact O-N 3.08Å; L132-F177 HydrophobicContact CD1-CD2 4.19Å; L132-F177 HydrophobicContact CD1-CE2 3.76Å; L132-A183 HydrophobicContact CD1-CB 4.43Å; L132-A183 HydrophobicContact CD2-CB 4.04Å; L132-A183 HydrophobicContact CG-CB 4.24Å; L132-A186 HydrophobicContact CD1-CB 3.9Å; L132-I187 HydrophobicContact CD1-CG1 4.24Å; L132-I187 HydrophobicContact CD2-CD1 3.59Å; L132-I187 HydrophobicContact CD2-CG1 3.7Å; L132-V205 HydrophobicContact CB-CG1 4.48Å; L132-V205 HydrophobicContact CD1-CG1 3.79Å; L132-K206 CarbonylContact C-O 3.45Å; L132-K206 WeakPolarHBondContact CA-O 3.3Å; L132-F207 HydrophobicContact CD2-CD1 3.69Å; L132-F207 HydrophobicContact CD2-CE1 3.87Å; L132-F207 HydrophobicContact CD2-CG 4.43Å
133F95Very high80.1Confident54 Ų5459.6 Ų59.624%0.23730%0.302CS..EExtended strand (participates in β ladder)trans-87.5129.6157.2174.1-94.5000108.6C172 F174 V205 K206 A208F133-C172 HydrophobicContact CE2-CB 3.59Å; F133-C172 HydrophobicContact CZ-CB 3.56Å; F133-F174 HydrophobicContact CB-CD1 4.28Å; F133-F174 HydrophobicContact CB-CE1 4.04Å; F133-F174 HydrophobicContact CD2-CD1 4.41Å; F133-F174 AromaticContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CZ 4.28Å; F133-F174 HydrophobicContact CG-CE1 4.45Å; F133-V205 WeakPolarHBondContact O-CA 3.47Å; F133-K206 HydrophobicContact CB-CG 4.27Å; F133-K206 HydrophobicContact CD1-CG 4.22Å; F133-K206 PolarHBondContact N-O 2.87Å; F133-K206 PolarHBondContact O-N 3.41Å; F133-A208 HydrophobicContact CB-CB 4.36Å
134V94.4Very high81.8Confident0 Ų060 Ų600%030%0.299CS..EExtended strand (participates in β ladder)trans-115.999.9178.5-175.80000107.6L137 F150 C172 A173 V175 V205V134-L137 HydrophobicContact CG1-CD1 4.15Å; V134-L137 HydrophobicContact CG1-CD2 3.97Å; V134-L137 HydrophobicContact CG1-CG 4.03Å; V134-F150 HydrophobicContact CB-CZ 4.21Å; V134-F150 HydrophobicContact CG1-CE2 3.9Å; V134-F150 HydrophobicContact CG1-CZ 3.76Å; V134-F150 HydrophobicContact CG2-CE1 3.78Å; V134-F150 HydrophobicContact CG2-CE2 3.95Å; V134-F150 HydrophobicContact CG2-CZ 3.34Å; V134-C172 CarbonylContact O-C 3.51Å; V134-C172 WeakPolarHBondContact O-CA 3.29Å; V134-C172 WeakPolarHBondContact O-CB 3.49Å; V134-A173 HydrophobicContact CB-CB 4.44Å; V134-A173 PolarHBondContact N-O 3.02Å; V134-A173 PolarHBondContact O-N 3.41Å; V134-V175 HydrophobicContact CG2-CB 4.46Å; V134-V175 HydrophobicContact CG2-CG2 3.85Å; V134-V205 HydrophobicContact CG1-CG2 4.38Å
135G92.4Very high83.8Confident3 Ų354.6 Ų54.63%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-94.5166.5177.500000113.6L137 L203 V204G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.74Å; G135-L203 WeakPolarHBondContact O-CA 3.39Å; G135-V204 PolarHBondContact N-O 3.4Å; G135-V204 PolarHBondContact O-N 2.9Å
136M91.7Very high85.8Confident105 Ų10552.1 Ų52.152%0.51725%0.25SC..SBendtrans62.531.1179.8-51.3-52.8172.300114.7G171 A199 S202 V204M136-G171 PolarHBondContact N-O 3.16Å; M136-A199 WeakPolarHBondContact O-CB 3.24Å; M136-S202 WeakPolarHBondContact CB-O 3.18Å; M136-V204 HydrophobicContact CB-CG2 4.5Å; M136-V204 HydrophobicContact CG-CG2 3.71Å
137L90.2Very high87.8Confident8 Ų849 Ų494%0.04224%0.238CC..  trans-68.8143.1166.5-67.1169.3000110.4V134 G135 V146 G171 A173 M196 L203V134-L137 HydrophobicContact CG1-CD1 4.15Å; V134-L137 HydrophobicContact CG1-CD2 3.97Å; V134-L137 HydrophobicContact CG1-CG 4.03Å; G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.74Å; L137-V146 HydrophobicContact CD1-CG2 3.69Å; L137-V146 HydrophobicContact CD2-CG2 3.9Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; L137-G171 PolarHBondContact N-O 2.8Å; L137-G171 WeakPolarHBondContact O-CA 3.5Å; L137-A173 HydrophobicContact CD1-CB 3.51Å; L137-M196 HydrophobicContact CD2-CE 3.75Å; L137-M196 HydrophobicContact CD2-CG 4.29Å; L137-L203 HydrophobicContact CD2-CD2 3.7Å; L137-L203 HydrophobicContact CG-CD2 4.31Å
138G88.1Confident89.7Confident2 Ų254.5 Ų54.52%0.02125%0.252CS..  trans-61140.7168.200000110.7Q140 Q141 G198G138-Q140 PolarHBondContact O-N 3.47Å; G138-Q141 VanDerWaalsContact O-CB 3.27Å; G138-Q141 WeakPolarHBondContact O-CB 3.4Å; G138-Q141 VanDerWaalsContact O-CG 3.31Å; G138-Q141 WeakPolarHBondContact O-CG 3.4Å; G138-Q141 PolarHBondContact O-N 2.99Å; G138-G198 WeakPolarHBondContact CA-O 3.39Å
139K88.4Confident91.1Very high158 Ų15852.9 Ų52.969%0.68725%0.246SC*.THydrogen-bonded Turntrans-65.1-15.3-173.8-66.2-173178.4-178.80114.5S169K139-S169 WeakPolarHBondContact O-CB 3.5Å
140Q88.7Confident92.2Very high142 Ų14249.3 Ų49.366%0.66423%0.227SC*.THydrogen-bonded Turntrans-86-9.9174.666.4-152.568.200114.3G138G138-Q140 PolarHBondContact O-N 3.47Å
141Q89.3Confident92.5Very high15 Ų1552.5 Ų52.57%0.0724%0.243CC..  trans-73.2133.1-175.6-64.1-67.4-26.300111.3G138 M196 P197G138-Q141 VanDerWaalsContact O-CB 3.27Å; G138-Q141 WeakPolarHBondContact O-CB 3.4Å; G138-Q141 VanDerWaalsContact O-CG 3.31Å; G138-Q141 WeakPolarHBondContact O-CG 3.4Å; G138-Q141 PolarHBondContact O-N 2.99Å; Q141-M196 HydrophobicContact CB-CE 4.31Å; Q141-M196 HydrophobicContact CG-CB 4.4Å; Q141-M196 HydrophobicContact CG-CE 4Å; Q141-M196 VanDerWaalsContact OE1-CE 3.24Å; Q141-P197 PolarHBondContact NE2-O 3.44Å
142S93.1Very high92.6Very high33 Ų3355.6 Ų55.623%0.23127%0.266CS..  trans-95.4166.5178.971.50000113D144 D145 V146S142-D144 PolarHBondContact O-N 3Å; S142-D144 PolarHBondContact OG-N 3.36Å; S142-D145 VanDerWaalsContact CB-OD2 3.32Å; S142-D145 WeakPolarHBondContact CB-OD2 3.19Å; S142-D145 PolarHBondContact N-OD2 3.21Å; S142-D145 PolarHBondContact O-N 2.94Å; S142-D145 VanDerWaalsContact O-N 3.17Å; S142-D145 VanDerWaalsContact OG-CG 3.3Å; S142-D145 PolarHBondContact OG-N 2.98Å; S142-D145 PolarHBondContact OG-OD2 3.01Å; S142-V146 WeakPolarHBondContact O-CG2 3.35Å; S142-V146 PolarHBondContact O-N 3.06Å
143E93.9Very high92.6Very high50 Ų5057.9 Ų57.923%0.23428%0.277CS..Hα-helixtrans-52.8-36169.8-7274.2-17600111.9R147 C159 V161 R163E143-R147 WeakPolarHBondContact O-CB 3.45Å; E143-R147 PolarHBondContact O-N 3.31Å; E143-C159 PolarHBondContact O-SG 3.46Å; E143-V161 HydrophobicContact CG-CB 4.34Å; E143-V161 HydrophobicContact CG-CG2 3.94Å; E143-V161 VanDerWaalsContact OE1-CB 3.31Å; E143-V161 WeakPolarHBondContact OE1-CB 3.12Å; E143-V161 PolarHBondContact OE1-N 3.27Å; E143-R163 IonicContact OE1-CZ 2.64Å; E143-R163 IonicContact OE1-NE 3.57Å; E143-R163 PolarHBondContact OE1-NE 2.78Å; E143-R163 VanDerWaalsContact OE1-NE 3.1Å; E143-R163 IonicContact OE1-NH2 3.99Å; E143-R163 PolarHBondContact OE1-NH2 2.86Å; E143-R163 IonicContact OE2-CZ 3.19Å; E143-R163 IonicContact OE2-NE 2.82Å; E143-R163 IonicContact OE2-NH2 3.25Å; E143-R163 PolarHBondContact OE2-NH2 2.81Å
144D94.1Very high92.5Very high79 Ų7956.1 Ų56.142%0.42227%0.274SS..Hα-helixtrans-81.1-26.3179.6-65.8-56.5000113.5S142 R147 R148S142-D144 PolarHBondContact O-N 3Å; S142-D144 PolarHBondContact OG-N 3.36Å; D144-R147 IonicContact OD1-NH1 2.72Å; D144-R147 PolarHBondContact OD1-NH1 3.44Å; D144-R148 WeakPolarHBondContact O-CB 3.3Å; D144-R148 WeakPolarHBondContact O-CG 3.31Å; D144-R148 VanDerWaalsContact O-CZ 3.31Å; D144-R148 PolarHBondContact O-N 3.03Å; D144-R148 PolarHBondContact O-NE 3.4Å; D144-R148 PolarHBondContact O-NH1 3.48Å
145D92.8Very high92.3Very high49 Ų4962.9 Ų62.926%0.26231%0.305SS..Hα-helixtrans-68.2-43.9168.9-60.3-58.9000110.9S142 R148 L149 M196S142-D145 VanDerWaalsContact CB-OD2 3.32Å; S142-D145 WeakPolarHBondContact CB-OD2 3.19Å; S142-D145 PolarHBondContact N-OD2 3.21Å; S142-D145 PolarHBondContact O-N 2.94Å; S142-D145 VanDerWaalsContact O-N 3.17Å; S142-D145 VanDerWaalsContact OG-CG 3.3Å; S142-D145 PolarHBondContact OG-N 2.98Å; S142-D145 PolarHBondContact OG-OD2 3.01Å; D145-R148 PolarHBondContact O-N 3.5Å; D145-R148 IonicContact OD1-CZ 3.43Å; D145-R148 IonicContact OD1-NH2 3.65Å; D145-R148 PolarHBondContact OD1-NH2 2.94Å; D145-L149 PolarHBondContact O-N 3.2Å; D145-L149 VanDerWaalsContact O-N 3.09Å; D145-M196 HydrophobicContact CB-CE 4.31Å
146V93.8Very high92.3Very high0 Ų064 Ų640%031%0.31CS..Hα-helixtrans-65-40.8175.4178.70000110.6L137 S142 L149 F150 V161 A173 V175 M196L137-V146 HydrophobicContact CD1-CG2 3.69Å; L137-V146 HydrophobicContact CD2-CG2 3.9Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; S142-V146 WeakPolarHBondContact O-CG2 3.35Å; S142-V146 PolarHBondContact O-N 3.06Å; V146-L149 PolarHBondContact O-N 3.28Å; V146-F150 HydrophobicContact CG1-CD2 4Å; V146-F150 HydrophobicContact CG1-CE2 4.25Å; V146-F150 VanDerWaalsContact O-CD2 3.3Å; V146-F150 WeakPolarHBondContact O-CD2 3.37Å; V146-F150 PolarHBondContact O-N 2.98Å; V146-V161 HydrophobicContact CG2-CG2 4.4Å; V146-A173 HydrophobicContact CG1-CB 4.3Å; V146-A173 HydrophobicContact CG2-CB 4.43Å; V146-V175 HydrophobicContact CG1-CG2 3.53Å; V146-M196 HydrophobicContact CG2-CE 4.2Å
147R95.4Very high92.2Very high89 Ų8963.4 Ų63.434%0.33631%0.306SS..Hα-helixtrans-58.8-52.8173.5177.4177.2-80.3125.9-5.7111.6E143 D144 L149 F150 E151 I156E143-R147 WeakPolarHBondContact O-CB 3.45Å; E143-R147 PolarHBondContact O-N 3.31Å; D144-R147 IonicContact OD1-NH1 2.72Å; D144-R147 PolarHBondContact OD1-NH1 3.44Å; R147-L149 PolarHBondContact O-N 3.26Å; R147-F150 PolarHBondContact O-N 2.9Å; R147-F150 VanDerWaalsContact O-N 3.08Å; R147-E151 WeakPolarHBondContact O-CB 3.48Å; R147-E151 WeakPolarHBondContact O-CG 3.5Å; R147-E151 PolarHBondContact O-N 2.6Å; R147-I156 HydrophobicContact CG-CD1 4.16Å
148R93.9Very high92.2Very high134 Ų13466 Ų6651%0.50632%0.318SS..Hα-helixtrans-55.3-37.4178.3-80.5-174.7-69.7-86.63.7113.5D144 D145D144-R148 WeakPolarHBondContact O-CB 3.3Å; D144-R148 WeakPolarHBondContact O-CG 3.31Å; D144-R148 VanDerWaalsContact O-CZ 3.31Å; D144-R148 PolarHBondContact O-N 3.03Å; D144-R148 PolarHBondContact O-NE 3.4Å; D144-R148 PolarHBondContact O-NH1 3.48Å; D145-R148 PolarHBondContact O-N 3.5Å; D145-R148 IonicContact OD1-CZ 3.43Å; D145-R148 IonicContact OD1-NH2 3.65Å; D145-R148 PolarHBondContact OD1-NH2 2.94Å
149L92.1Very high92.5Very high27 Ų2766.6 Ų66.614%0.14132%0.322CS..Hα-helixtrans-69.9-43.3176.6174.359.6000112.3D145 V146 R147 L190 Q194 M196 L203D145-L149 PolarHBondContact O-N 3.2Å; D145-L149 VanDerWaalsContact O-N 3.09Å; V146-L149 PolarHBondContact O-N 3.28Å; R147-L149 PolarHBondContact O-N 3.26Å; L149-L190 HydrophobicContact CD1-CD1 4.32Å; L149-L190 HydrophobicContact CD1-CD2 3.87Å; L149-L190 HydrophobicContact CD2-CD1 4.32Å; L149-L190 HydrophobicContact CG-CD1 4.01Å; L149-L190 HydrophobicContact CG-CD2 4.42Å; L149-Q194 VanDerWaalsContact CD1-NE2 3.27Å; L149-Q194 VanDerWaalsContact CD1-OE1 3.24Å; L149-Q194 VanDerWaalsContact CD2-OE1 3.29Å; L149-M196 HydrophobicContact CD2-CE 4.11Å; L149-M196 HydrophobicContact CD2-CG 4.17Å; L149-M196 HydrophobicContact CD2-SD 3.89Å; L149-L203 HydrophobicContact CD2-CD1 3.55Å
150F94.9Very high92.8Very high0 Ų062 Ų620%031%0.307CS..Hα-helixtrans-87.4-23.3-171.8-81.6-105.9000113.9L132 V134 V146 R147 T152 F153 I156 V175 F177 A186 L190 V205L132-F150 HydrophobicContact CD1-CD1 4.4Å; L132-F150 HydrophobicContact CD1-CE1 4.01Å; V134-F150 HydrophobicContact CB-CZ 4.21Å; V134-F150 HydrophobicContact CG1-CE2 3.9Å; V134-F150 HydrophobicContact CG1-CZ 3.76Å; V134-F150 HydrophobicContact CG2-CE1 3.78Å; V134-F150 HydrophobicContact CG2-CE2 3.95Å; V134-F150 HydrophobicContact CG2-CZ 3.34Å; V146-F150 HydrophobicContact CG1-CD2 4Å; V146-F150 HydrophobicContact CG1-CE2 4.25Å; V146-F150 VanDerWaalsContact O-CD2 3.3Å; V146-F150 WeakPolarHBondContact O-CD2 3.37Å; V146-F150 PolarHBondContact O-N 2.98Å; R147-F150 PolarHBondContact O-N 2.9Å; R147-F150 VanDerWaalsContact O-N 3.08Å; F150-T152 PolarHBondContact O-N 3.42Å; F150-F153 PolarHBondContact O-N 3.33Å; F150-I156 HydrophobicContact CB-CD1 3.62Å; F150-V175 HydrophobicContact CB-CG1 4.04Å; F150-V175 HydrophobicContact CD1-CB 4.29Å; F150-V175 HydrophobicContact CD1-CG1 4.03Å; F150-V175 HydrophobicContact CD1-CG2 4.22Å; F150-V175 HydrophobicContact CD2-CG2 4.36Å; F150-V175 HydrophobicContact CG-CG1 4.17Å; F150-V175 HydrophobicContact CG-CG2 4.14Å; F150-F177 HydrophobicContact CB-CZ 3.99Å; F150-F177 AromaticContact CD1-CE2 3.94Å; F150-F177 HydrophobicContact CD1-CE2 3.94Å; F150-F177 AromaticContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CG-CZ 4.47Å; F150-F177 WeakPolarHBondContact O-CE1 3.41Å; F150-F177 WeakPolarHBondContact O-CZ 3.49Å; F150-A186 HydrophobicContact CD1-CB 4.03Å; F150-A186 HydrophobicContact CE1-CB 4.16Å; F150-L190 HydrophobicContact CD1-CD1 4.03Å; F150-L190 HydrophobicContact CD2-CD1 3.97Å; F150-L190 HydrophobicContact CE1-CD1 3.71Å; F150-L190 HydrophobicContact CE2-CD1 3.65Å; F150-L190 HydrophobicContact CG-CD1 4.15Å; F150-L190 HydrophobicContact CZ-CD1 3.5Å; F150-V205 HydrophobicContact CE1-CG1 3.84Å; F150-V205 HydrophobicContact CE1-CG2 4.42Å; F150-V205 HydrophobicContact CZ-CG1 4.06Å; F150-V205 HydrophobicContact CZ-CG2 3.83Å
151E95.2Very high93.1Very high105 Ų10555.5 Ų55.549%0.49128%0.277SS..G310 helixtrans-66.4-20-177.669.2-167.6-177.100113.5R147 F153 G154 I156R147-E151 WeakPolarHBondContact O-CB 3.48Å; R147-E151 WeakPolarHBondContact O-CG 3.5Å; R147-E151 PolarHBondContact O-N 2.6Å; E151-F153 PolarHBondContact O-N 2.9Å; E151-G154 PolarHBondContact O-N 2.9Å; E151-I156 HydrophobicContact CB-CD1 4.12Å
152T94.1Very high93.2Very high115 Ų11557.1 Ų57.171%0.70629%0.286SS*.G310 helixtrans-60.1-22.4170.6-57.10000112.6F150F150-T152 PolarHBondContact O-N 3.42Å
153F94.2Very high93.3Very high48 Ų4860.9 Ų60.921%0.21130%0.295CS..G310 helixtrans-101.2-7.2-177-58.5-82.5000114.1F150 E151 F177 E182 A185 A186 L190F150-F153 PolarHBondContact O-N 3.33Å; E151-F153 PolarHBondContact O-N 2.9Å; F153-F177 HydrophobicContact CB-CE1 4.23Å; F153-F177 HydrophobicContact CB-CZ 4.1Å; F153-E182 WeakPolarHBondContact O-CA 3.46Å; F153-E182 WeakPolarHBondContact O-CB 3.45Å; F153-E182 WeakPolarHBondContact O-CG 3.37Å; F153-A185 HydrophobicContact CD1-CB 4.45Å; F153-A186 HydrophobicContact CB-CB 3.87Å; F153-A186 HydrophobicContact CD1-CB 4.49Å; F153-A186 HydrophobicContact CD2-CB 4.2Å; F153-A186 HydrophobicContact CG-CB 3.91Å; F153-L190 HydrophobicContact CD2-CD1 4.15Å; F153-L190 HydrophobicContact CE2-CD1 3.66Å; F153-L190 HydrophobicContact CE2-CD2 3.9Å; F153-L190 HydrophobicContact CE2-CG 3.76Å; F153-L190 HydrophobicContact CZ-CD1 4.33Å; F153-L190 HydrophobicContact CZ-CD2 3.94Å; F153-L190 HydrophobicContact CZ-CG 3.92Å
154G91.6Very high93.1Very high17 Ų1759.4 Ų59.418%0.17529%0.293CS..SBendtrans152.8175.9-176.800000114.7E151 E182E151-G154 PolarHBondContact O-N 2.9Å; G154-E182 WeakPolarHBondContact CA-OE1 3.04Å
155Q90.9Very high92.9Very high142 Ų14262.8 Ų62.866%0.66432%0.319SS*.  trans-75.7128.4179.3177.9179.5107.600111.3F177 S178 E182Q155-F177 CarbonylContact O-C 3.55Å; Q155-F177 VanDerWaalsContact O-CA 3.31Å; Q155-F177 WeakPolarHBondContact O-CA 3.2Å; Q155-S178 WeakPolarHBondContact CB-OG 3.41Å; Q155-S178 PolarHBondContact O-N 2.91Å; Q155-S178 PolarHBondContact O-OG 3.09Å; Q155-E182 PolarHBondContact N-OE1 3.35Å
156I92.9Very high92.8Very high25 Ų2566.3 Ų66.313%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-95.7114.3-179.1-63.4171.3000110.2R147 F150 E151 E158 C159 V175 K176 F177R147-I156 HydrophobicContact CG-CD1 4.16Å; F150-I156 HydrophobicContact CB-CD1 3.62Å; E151-I156 HydrophobicContact CB-CD1 4.12Å; I156-E158 VanDerWaalsContact CG2-O 3.23Å; I156-E158 WeakPolarHBondContact CG2-O 3.25Å; I156-C159 HydrophobicContact CG2-CB 4.16Å; I156-V175 HydrophobicContact CD1-CG1 4.08Å; I156-V175 HydrophobicContact CG1-CG1 4.06Å; I156-V175 HydrophobicContact CG2-CG1 4.1Å; I156-K176 CarbonylContact C-O 3.55Å; I156-K176 WeakPolarHBondContact CA-O 3.46Å; I156-F177 HydrophobicContact CG1-CD1 4.25Å; I156-F177 HydrophobicContact CG1-CE1 3.95Å; I156-F177 HydrophobicContact CG1-CZ 4.46Å
157E89.6Confident92.5Very high93 Ų9368.3 Ų68.344%0.43536%0.359SS..EExtended strand (participates in β ladder)trans-74.2-36.5171.1-68.4-176-171.400112.3R130 K176R130-E157 IonicContact CZ-OE1 3.84Å; R130-E157 VanDerWaalsContact NH1-CD 3.28Å; R130-E157 IonicContact NH1-OE1 2.64Å; R130-E157 PolarHBondContact NH1-OE1 2.85Å; R130-E157 IonicContact NH1-OE2 2.65Å; R130-E157 PolarHBondContact NH1-OE2 3.39Å; R130-E157 IonicContact NH2-OE1 3.1Å; E157-K176 HydrophobicContact CB-CD 4.23Å; E157-K176 PolarHBondContact N-O 2.82Å; E157-K176 WeakPolarHBondContact OE2-CD 3.29Å; E157-K176 WeakPolarHBondContact OE2-CE 3.18Å; E157-K176 IonicContact OE2-NZ 3.92Å; E157-K176 PolarHBondContact OE2-NZ 3.18Å
158E89.6Confident92.2Very high62 Ų6266.2 Ų66.229%0.2936%0.361SS..EExtended strand (participates in β ladder)trans-145.3135.2-171.9-163.2-16314300110.4K131 I156 V175 K176K131-E158 WeakPolarHBondContact CE-OE1 3.47Å; K131-E158 IonicContact NZ-OE1 3.75Å; K131-E158 PolarHBondContact NZ-OE1 3.11Å; K131-E158 IonicContact NZ-OE2 3.66Å; K131-E158 PolarHBondContact NZ-OE2 3.27Å; I156-E158 VanDerWaalsContact CG2-O 3.23Å; I156-E158 WeakPolarHBondContact CG2-O 3.25Å; E158-V175 CarbonylContact O-C 3.58Å; E158-V175 WeakPolarHBondContact O-CA 3.38Å; E158-K176 HydrophobicContact CB-CB 3.63Å; E158-K176 HydrophobicContact CB-CD 4.2Å; E158-K176 PolarHBondContact N-O 2.77Å; E158-K176 PolarHBondContact O-N 2.71Å
159C94.4Very high92.1Very high16 Ų1660.2 Ų60.211%0.10834%0.339CS..EExtended strand (participates in β ladder)trans-140.5135.2167.5-172.60000109.4E143 I156 F174E143-C159 PolarHBondContact O-SG 3.46Å; I156-C159 HydrophobicContact CG2-CB 4.16Å; C159-F174 WeakPolarHBondContact CA-O 3.34Å
160T94.3Very high92.2Very high62 Ų6265.5 Ų65.538%0.3836%0.361SS..EExtended strand (participates in β ladder)trans-155121.7-177-58.80000110.6A173 F174T160-A173 CarbonylContact O-C 3.45Å; T160-A173 WeakPolarHBondContact O-CA 3.31Å; T160-A173 WeakPolarHBondContact O-CB 3.35Å; T160-F174 PolarHBondContact N-O 3.08Å; T160-F174 PolarHBondContact O-N 2.92Å
161V94.6Very high92Very high5 Ų566 Ų663%0.0337%0.367CS..EExtended strand (participates in β ladder)trans-82.8131.9173-1790000108.6E143 V146 R163 S169 A173E143-V161 HydrophobicContact CG-CB 4.34Å; E143-V161 HydrophobicContact CG-CG2 3.94Å; E143-V161 VanDerWaalsContact OE1-CB 3.31Å; E143-V161 WeakPolarHBondContact OE1-CB 3.12Å; E143-V161 PolarHBondContact OE1-N 3.27Å; V146-V161 HydrophobicContact CG2-CG2 4.4Å; V161-R163 PolarHBondContact O-N 2.89Å; V161-S169 WeakPolarHBondContact CG1-OG 3.34Å; V161-A173 HydrophobicContact CG2-CB 4.18Å
162L92.5Very high91.9Very high48 Ų4861.9 Ų61.925%0.25135%0.349SS..EExtended strand (participates in β ladder)trans-76119.8177.4-7375.6000108.7K170 C172 F174L162-K170 HydrophobicContact CB-CB 4.42Å; L162-K170 HydrophobicContact CB-CD 4.39Å; L162-K170 VanDerWaalsContact O-CB 3.31Å; L162-K170 WeakPolarHBondContact O-CB 3.45Å; L162-K170 WeakPolarHBondContact O-CG 3.3Å; L162-K170 PolarHBondContact O-N 2.81Å; L162-C172 PolarHBondContact N-O 2.83Å; L162-F174 HydrophobicContact CD1-CD2 3.66Å; L162-F174 HydrophobicContact CD1-CE2 3.79Å; L162-F174 HydrophobicContact CD1-CG 4.35Å; L162-F174 HydrophobicContact CD2-CE2 4Å; L162-F174 HydrophobicContact CG-CD2 4.47Å; L162-F174 HydrophobicContact CG-CE2 4.25Å
163R93.9Very high92Very high112 Ų11256.4 Ų56.442%0.42332%0.315SS..EExtended strand (participates in β ladder)trans-111.1154.2-179.5-65.7165.2-173.4-79.50.1110.5E143 V161 A168E143-R163 IonicContact OE1-CZ 2.64Å; E143-R163 IonicContact OE1-NE 3.57Å; E143-R163 PolarHBondContact OE1-NE 2.78Å; E143-R163 VanDerWaalsContact OE1-NE 3.1Å; E143-R163 IonicContact OE1-NH2 3.99Å; E143-R163 PolarHBondContact OE1-NH2 2.86Å; E143-R163 IonicContact OE2-CZ 3.19Å; E143-R163 IonicContact OE2-NE 2.82Å; E143-R163 IonicContact OE2-NH2 3.25Å; E143-R163 PolarHBondContact OE2-NH2 2.81Å; V161-R163 PolarHBondContact O-N 2.89Å; R163-A168 CarbonylContact C-O 3.48Å; R163-A168 VanDerWaalsContact CA-O 3.25Å; R163-A168 WeakPolarHBondContact CA-O 3.21Å
164G91Very high92Very high19 Ų1955.6 Ų55.620%0.19631%0.312CS..  trans-79.2176.1173.400000112.4D166 G167 A168G164-D166 VanDerWaalsContact C-OD1 3.28Å; G164-D166 WeakPolarHBondContact CA-OD1 3.13Å; G164-D166 PolarHBondContact O-N 3.43Å; G164-G167 PolarHBondContact O-N 2.98Å; G164-A168 PolarHBondContact N-O 2.81Å
165P89.1Confident92.2Very high150 Ų15054.8 Ų54.897%0.97430%0.303SS*.THydrogen-bonded Turntrans-66.7-15.7173.231-35.8000112.8G167P165-G167 VanDerWaalsContact C-N 3.32Å
166D90.8Very high92.3Very high124 Ų12450.1 Ų50.166%0.66328%0.281SS*.THydrogen-bonded Turntrans-83.9-0.7169.760.2-12.8000113.4G164 A168G164-D166 VanDerWaalsContact C-OD1 3.28Å; G164-D166 WeakPolarHBondContact CA-OD1 3.13Å; G164-D166 PolarHBondContact O-N 3.43Å; D166-A168 PolarHBondContact O-N 2.83Å; D166-A168 PolarHBondContact OD1-N 3.07Å; D166-A168 WeakPolarHBondContact OD2-CB 3.42Å
167G87.4Confident92.2Very high41 Ų4148.9 Ų48.942%0.42328%0.275SS..SBendtrans76.3-7.3-175.100000115G164 P165G164-G167 PolarHBondContact O-N 2.98Å; P165-G167 VanDerWaalsContact C-N 3.32Å
168A90.2Very high91.9Very high46 Ų4646.4 Ų46.438%0.3827%0.268SS..  trans-70.7141.3-177.400000111.4R163 G164 D166 K170R163-A168 CarbonylContact C-O 3.48Å; R163-A168 VanDerWaalsContact CA-O 3.25Å; R163-A168 WeakPolarHBondContact CA-O 3.21Å; G164-A168 PolarHBondContact N-O 2.81Å; D166-A168 PolarHBondContact O-N 2.83Å; D166-A168 PolarHBondContact OD1-N 3.07Å; D166-A168 WeakPolarHBondContact OD2-CB 3.42Å; A168-K170 PolarHBondContact O-N 2.64Å
169S91.9Very high91.5Very high8 Ų844.3 Ų44.36%0.05626%0.26CS..EExtended strand (participates in β ladder)trans-64.2133.4176.2178.30000111.2K139 V161 G171K139-S169 WeakPolarHBondContact O-CB 3.5Å; V161-S169 WeakPolarHBondContact CG1-OG 3.34Å; S169-G171 PolarHBondContact O-N 2.67Å; S169-G171 PolarHBondContact OG-N 3.3Å
170K92.3Very high91Very high137 Ų13748 Ų4860%0.59628%0.275SS*.EExtended strand (participates in β ladder)trans-814.5175.2-58.5-176.168.9173.80112.8L162 A168 C172L162-K170 HydrophobicContact CB-CB 4.42Å; L162-K170 HydrophobicContact CB-CD 4.39Å; L162-K170 VanDerWaalsContact O-CB 3.31Å; L162-K170 WeakPolarHBondContact O-CB 3.45Å; L162-K170 WeakPolarHBondContact O-CG 3.3Å; L162-K170 PolarHBondContact O-N 2.81Å; A168-K170 PolarHBondContact O-N 2.64Å; K170-C172 VanDerWaalsContact C-N 3.35Å
171G91.4Very high90.6Very high12 Ų1248.2 Ų48.212%0.12428%0.283CS..EExtended strand (participates in β ladder)trans73.525.1-178.200000113.6M136 L137 S169M136-G171 PolarHBondContact N-O 3.16Å; L137-G171 PolarHBondContact N-O 2.8Å; L137-G171 WeakPolarHBondContact O-CA 3.5Å; S169-G171 PolarHBondContact O-N 2.67Å; S169-G171 PolarHBondContact OG-N 3.3Å
172C93.5Very high90.6Very high17 Ų1749.9 Ų49.912%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-151.4157.8175.558.70000112.9F133 V134 L162 K170F133-C172 HydrophobicContact CE2-CB 3.59Å; F133-C172 HydrophobicContact CZ-CB 3.56Å; V134-C172 CarbonylContact O-C 3.51Å; V134-C172 WeakPolarHBondContact O-CA 3.29Å; V134-C172 WeakPolarHBondContact O-CB 3.49Å; L162-C172 PolarHBondContact N-O 2.83Å; K170-C172 VanDerWaalsContact C-N 3.35Å
173A95.2Very high90.6Very high0 Ų047.6 Ų47.60%028%0.279CS..EExtended strand (participates in β ladder)trans-138.6165.6179.400000111.6V134 L137 V146 T160 V161V134-A173 HydrophobicContact CB-CB 4.44Å; V134-A173 PolarHBondContact N-O 3.02Å; V134-A173 PolarHBondContact O-N 3.41Å; L137-A173 HydrophobicContact CD1-CB 3.51Å; V146-A173 HydrophobicContact CG1-CB 4.3Å; V146-A173 HydrophobicContact CG2-CB 4.43Å; T160-A173 CarbonylContact O-C 3.45Å; T160-A173 WeakPolarHBondContact O-CA 3.31Å; T160-A173 WeakPolarHBondContact O-CB 3.35Å; V161-A173 HydrophobicContact CG2-CB 4.18Å
174F95.4Very high90.5Very high31 Ų3145.1 Ų45.114%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-106.7142.6158.2-66.5-65.7000110.3L132 F133 C159 T160 L162 A208L132-F174 VanDerWaalsContact O-CA 3.28Å; L132-F174 WeakPolarHBondContact O-CA 3.34Å; F133-F174 HydrophobicContact CB-CD1 4.28Å; F133-F174 HydrophobicContact CB-CE1 4.04Å; F133-F174 HydrophobicContact CD2-CD1 4.41Å; F133-F174 AromaticContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CZ 4.28Å; F133-F174 HydrophobicContact CG-CE1 4.45Å; C159-F174 WeakPolarHBondContact CA-O 3.34Å; T160-F174 PolarHBondContact N-O 3.08Å; T160-F174 PolarHBondContact O-N 2.92Å; L162-F174 HydrophobicContact CD1-CD2 3.66Å; L162-F174 HydrophobicContact CD1-CE2 3.79Å; L162-F174 HydrophobicContact CD1-CG 4.35Å; L162-F174 HydrophobicContact CD2-CE2 4Å; L162-F174 HydrophobicContact CG-CD2 4.47Å; L162-F174 HydrophobicContact CG-CE2 4.25Å; F174-A208 HydrophobicContact CD1-CB 3.88Å; F174-A208 HydrophobicContact CE1-CB 3.69Å
175V95.3Very high90.7Very high0 Ų046.1 Ų46.10%028%0.278CS..EExtended strand (participates in β ladder)trans-130.1136171.7-179.40000107.8K131 L132 V134 V146 F150 I156 E158 F177K131-V175 CarbonylContact C-O 3.52Å; K131-V175 WeakPolarHBondContact CA-O 3.17Å; L132-V175 PolarHBondContact N-O 3.12Å; L132-V175 PolarHBondContact O-N 3.08Å; V134-V175 HydrophobicContact CG2-CB 4.46Å; V134-V175 HydrophobicContact CG2-CG2 3.85Å; V146-V175 HydrophobicContact CG1-CG2 3.53Å; F150-V175 HydrophobicContact CB-CG1 4.04Å; F150-V175 HydrophobicContact CD1-CB 4.29Å; F150-V175 HydrophobicContact CD1-CG1 4.03Å; F150-V175 HydrophobicContact CD1-CG2 4.22Å; F150-V175 HydrophobicContact CD2-CG2 4.36Å; F150-V175 HydrophobicContact CG-CG1 4.17Å; F150-V175 HydrophobicContact CG-CG2 4.14Å; I156-V175 HydrophobicContact CD1-CG1 4.08Å; I156-V175 HydrophobicContact CG1-CG1 4.06Å; I156-V175 HydrophobicContact CG2-CG1 4.1Å; E158-V175 CarbonylContact O-C 3.58Å; E158-V175 WeakPolarHBondContact O-CA 3.38Å; V175-F177 HydrophobicContact CG1-CD2 4.41Å; V175-F177 HydrophobicContact CG1-CE2 4.02Å; V175-F177 HydrophobicContact CG1-CZ 4.35Å
176K92.4Very high90.9Very high44 Ų4439 Ų3919%0.19123%0.232CC..EExtended strand (participates in β ladder)trans-124.7123.7178.2-169-167178.6-156.30110.1R130 K131 I156 E157 E158R130-K176 WeakPolarHBondContact O-CA 3.29Å; K131-K176 HydrophobicContact CB-CG 4.35Å; K131-K176 HydrophobicContact CG-CB 4.39Å; I156-K176 CarbonylContact C-O 3.55Å; I156-K176 WeakPolarHBondContact CA-O 3.46Å; E157-K176 HydrophobicContact CB-CD 4.23Å; E157-K176 PolarHBondContact N-O 2.82Å; E157-K176 WeakPolarHBondContact OE2-CD 3.29Å; E157-K176 WeakPolarHBondContact OE2-CE 3.18Å; E157-K176 IonicContact OE2-NZ 3.92Å; E157-K176 PolarHBondContact OE2-NZ 3.18Å; E158-K176 HydrophobicContact CB-CB 3.63Å; E158-K176 HydrophobicContact CB-CD 4.2Å; E158-K176 PolarHBondContact N-O 2.77Å; E158-K176 PolarHBondContact O-N 2.71Å
177F91.8Very high91.1Very high0 Ų034 Ų340%021%0.206CC..EExtended strand (participates in β ladder)trans-93.8158.2178-74.5-82.6000112.6R130 L132 F150 F153 Q155 I156 V175 S179 E182 A183 A186R130-F177 PolarHBondContact NH1-O 2.74Å; R130-F177 PolarHBondContact O-N 2.9Å; L132-F177 HydrophobicContact CD1-CD2 4.19Å; L132-F177 HydrophobicContact CD1-CE2 3.76Å; F150-F177 HydrophobicContact CB-CZ 3.99Å; F150-F177 AromaticContact CD1-CE2 3.94Å; F150-F177 HydrophobicContact CD1-CE2 3.94Å; F150-F177 AromaticContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CG-CZ 4.47Å; F150-F177 WeakPolarHBondContact O-CE1 3.41Å; F150-F177 WeakPolarHBondContact O-CZ 3.49Å; F153-F177 HydrophobicContact CB-CE1 4.23Å; F153-F177 HydrophobicContact CB-CZ 4.1Å; Q155-F177 CarbonylContact O-C 3.55Å; Q155-F177 VanDerWaalsContact O-CA 3.31Å; Q155-F177 WeakPolarHBondContact O-CA 3.2Å; I156-F177 HydrophobicContact CG1-CD1 4.25Å; I156-F177 HydrophobicContact CG1-CE1 3.95Å; I156-F177 HydrophobicContact CG1-CZ 4.46Å; V175-F177 HydrophobicContact CG1-CD2 4.41Å; V175-F177 HydrophobicContact CG1-CE2 4.02Å; V175-F177 HydrophobicContact CG1-CZ 4.35Å; F177-S179 VanDerWaalsContact C-N 3.26Å; F177-S179 WeakPolarHBondContact CB-O 3.48Å; F177-S179 PolarHBondContact O-N 3.42Å; F177-E182 HydrophobicContact CB-CB 3.94Å; F177-E182 HydrophobicContact CD1-CB 3.7Å; F177-E182 HydrophobicContact CE1-CB 4.35Å; F177-E182 HydrophobicContact CG-CB 3.88Å; F177-A183 HydrophobicContact CB-CB 4.29Å; F177-A183 HydrophobicContact CD2-CB 3.83Å; F177-A183 HydrophobicContact CG-CB 4.41Å; F177-A186 HydrophobicContact CE2-CB 3.69Å; F177-A186 HydrophobicContact CZ-CB 3.79Å
178S83.4Confident91.4Very high41 Ų4137.7 Ų37.729%0.28722%0.215SC..SBendtrans-56.2-35.6169.431.20000113.5R130 Q155 E182R130-S178 WeakPolarHBondContact CD-O 3.48Å; R130-S178 PolarHBondContact NH1-O 2.89Å; Q155-S178 WeakPolarHBondContact CB-OG 3.41Å; Q155-S178 PolarHBondContact O-N 2.91Å; Q155-S178 PolarHBondContact O-OG 3.09Å; S178-E182 VanDerWaalsContact OG-CD 3.23Å; S178-E182 PolarHBondContact OG-OE1 2.89Å; S178-E182 VanDerWaalsContact OG-OE1 3.04Å; S178-E182 PolarHBondContact OG-OE2 3.27Å
179S81.2Confident91.6Very high17 Ų1739 Ų3912%0.11922%0.221CC..SBendtrans-132.9163.1-179.477.80000113.8F177 A181 E182 A183F177-S179 VanDerWaalsContact C-N 3.26Å; F177-S179 WeakPolarHBondContact CB-O 3.48Å; F177-S179 PolarHBondContact O-N 3.42Å; S179-A181 VanDerWaalsContact C-N 3.34Å; S179-E182 WeakPolarHBondContact CA-OE2 3.34Å; S179-E182 WeakPolarHBondContact CB-OE2 3.48Å; S179-E182 PolarHBondContact N-OE2 2.89Å; S179-E182 VanDerWaalsContact OG-CD 3.3Å; S179-E182 VanDerWaalsContact OG-CG 3.29Å; S179-E182 WeakPolarHBondContact OG-CG 3.38Å; S179-E182 PolarHBondContact OG-N 3.04Å; S179-E182 PolarHBondContact OG-OE2 3.24Å; S179-A183 PolarHBondContact O-N 3.11Å
180H84.3Confident91.6Very high93 Ų9338.8 Ų38.843%0.43122%0.22SC..Hα-helixtrans-70.4-30.6174.6174.169.4000112.2D129 R130 A183 Q184 F207D129-H180 PolarHBondContact O-ND1 2.69Å; R130-H180 HydrophobicContact CG-CB 4.37Å; H180-A183 PolarHBondContact O-N 2.74Å; H180-Q184 WeakPolarHBondContact O-CB 3.5Å; H180-Q184 PolarHBondContact O-N 2.84Å; H180-F207 AromaticContact CE1-CZ 3.46Å; H180-F207 VanDerWaalsContact CE1-CZ 3.46Å; H180-F207 WeakPolarHBondContact CE1-CZ 3.17Å; H180-F207 AromaticContact ND1-CE1 3.85Å; H180-F207 AromaticContact ND1-CZ 3.76Å
181A86.1Confident91.6Very high67 Ų6737.1 Ų37.155%0.55421%0.214SC*.Hα-helixtrans-66.9-44.1-179.900000111.9S179 Q184 A185S179-A181 VanDerWaalsContact C-N 3.34Å; A181-Q184 PolarHBondContact O-N 3.38Å; A181-A185 WeakPolarHBondContact O-CB 3.43Å; A181-A185 PolarHBondContact O-N 3.11Å
182E93.2Very high91.3Very high40 Ų4038.5 Ų38.519%0.18723%0.228CC..Hα-helixtrans-60.4-45.4173.4-65.5162.7116.200111F153 G154 Q155 F177 S178 S179 Q184 A185 A186F153-E182 WeakPolarHBondContact O-CA 3.46Å; F153-E182 WeakPolarHBondContact O-CB 3.45Å; F153-E182 WeakPolarHBondContact O-CG 3.37Å; G154-E182 WeakPolarHBondContact CA-OE1 3.04Å; Q155-E182 PolarHBondContact N-OE1 3.35Å; F177-E182 HydrophobicContact CB-CB 3.94Å; F177-E182 HydrophobicContact CD1-CB 3.7Å; F177-E182 HydrophobicContact CE1-CB 4.35Å; F177-E182 HydrophobicContact CG-CB 3.88Å; S178-E182 VanDerWaalsContact OG-CD 3.23Å; S178-E182 PolarHBondContact OG-OE1 2.89Å; S178-E182 VanDerWaalsContact OG-OE1 3.04Å; S178-E182 PolarHBondContact OG-OE2 3.27Å; S179-E182 WeakPolarHBondContact CA-OE2 3.34Å; S179-E182 WeakPolarHBondContact CB-OE2 3.48Å; S179-E182 PolarHBondContact N-OE2 2.89Å; S179-E182 VanDerWaalsContact OG-CD 3.3Å; S179-E182 VanDerWaalsContact OG-CG 3.29Å; S179-E182 WeakPolarHBondContact OG-CG 3.38Å; S179-E182 PolarHBondContact OG-N 3.04Å; S179-E182 PolarHBondContact OG-OE2 3.24Å; E182-Q184 PolarHBondContact O-N 3.34Å; E182-A185 PolarHBondContact O-N 2.73Å; E182-A186 PolarHBondContact O-N 3.47Å
183A92.8Very high90.6Very high0 Ų041 Ų410%026%0.256CS..Hα-helixtrans-61.9-41.6176.600000112.8L132 F177 S179 H180 A186 I187 F207L132-A183 HydrophobicContact CD1-CB 4.43Å; L132-A183 HydrophobicContact CD2-CB 4.04Å; L132-A183 HydrophobicContact CG-CB 4.24Å; F177-A183 HydrophobicContact CB-CB 4.29Å; F177-A183 HydrophobicContact CD2-CB 3.83Å; F177-A183 HydrophobicContact CG-CB 4.41Å; S179-A183 PolarHBondContact O-N 3.11Å; H180-A183 PolarHBondContact O-N 2.74Å; A183-A186 PolarHBondContact O-N 2.92Å; A183-I187 WeakPolarHBondContact O-CG1 3.33Å; A183-I187 PolarHBondContact O-N 2.77Å; A183-F207 HydrophobicContact CB-CE1 4.12Å
184Q91.9Very high89.8Confident60 Ų6044.3 Ų44.328%0.2827%0.272SS..Hα-helixtrans-69.7-37.1176.9-171.462.865.600112.2H180 A181 E182 I187 N188H180-Q184 WeakPolarHBondContact O-CB 3.5Å; H180-Q184 PolarHBondContact O-N 2.84Å; A181-Q184 PolarHBondContact O-N 3.38Å; E182-Q184 PolarHBondContact O-N 3.34Å; Q184-I187 PolarHBondContact O-N 2.72Å; Q184-N188 PolarHBondContact NE2-OD1 2.64Å; Q184-N188 WeakPolarHBondContact O-CB 3.37Å; Q184-N188 PolarHBondContact O-N 3.03Å; Q184-N188 PolarHBondContact O-OD1 3.11Å
185A94.4Very high89.2Confident40 Ų4046.4 Ų46.433%0.33129%0.287SS..Hα-helixtrans-62.1-45.7173.300000111.4F153 A181 E182 I187 N188 S189F153-A185 HydrophobicContact CD1-CB 4.45Å; A181-A185 WeakPolarHBondContact O-CB 3.43Å; A181-A185 PolarHBondContact O-N 3.11Å; E182-A185 PolarHBondContact O-N 2.73Å; A185-I187 PolarHBondContact O-N 3.19Å; A185-N188 PolarHBondContact O-N 2.87Å; A185-S189 PolarHBondContact O-N 3.46Å; A185-S189 PolarHBondContact O-OG 2.79Å
186A95.1Very high88.3Confident0 Ų047.1 Ų47.10%029%0.291CS..Hα-helixtrans-61-40175.700000112.8L132 F150 F153 F177 E182 A183 L190L132-A186 HydrophobicContact CD1-CB 3.9Å; F150-A186 HydrophobicContact CD1-CB 4.03Å; F150-A186 HydrophobicContact CE1-CB 4.16Å; F153-A186 HydrophobicContact CB-CB 3.87Å; F153-A186 HydrophobicContact CD1-CB 4.49Å; F153-A186 HydrophobicContact CD2-CB 4.2Å; F153-A186 HydrophobicContact CG-CB 3.91Å; F177-A186 HydrophobicContact CE2-CB 3.69Å; F177-A186 HydrophobicContact CZ-CB 3.79Å; E182-A186 PolarHBondContact O-N 3.47Å; A183-A186 PolarHBondContact O-N 2.92Å; A186-L190 VanDerWaalsContact O-CB 3.27Å; A186-L190 WeakPolarHBondContact O-CB 3.48Å; A186-L190 PolarHBondContact O-N 3.02Å
187I94.3Very high87.5Confident21 Ų2149.4 Ų49.411%0.10831%0.31CS..Hα-helixtrans-58.7-54.3170.7-68.5165.5000110.1L132 A183 Q184 A185 S189 L190 H191 V205 F207L132-I187 HydrophobicContact CD1-CG1 4.24Å; L132-I187 HydrophobicContact CD2-CD1 3.59Å; L132-I187 HydrophobicContact CD2-CG1 3.7Å; A183-I187 WeakPolarHBondContact O-CG1 3.33Å; A183-I187 PolarHBondContact O-N 2.77Å; Q184-I187 PolarHBondContact O-N 2.72Å; A185-I187 PolarHBondContact O-N 3.19Å; I187-S189 PolarHBondContact O-N 2.86Å; I187-L190 PolarHBondContact O-N 3.07Å; I187-H191 HydrophobicContact CG2-CB 4.39Å; I187-H191 WeakPolarHBondContact O-CB 3.37Å; I187-H191 PolarHBondContact O-N 2.95Å; I187-V205 HydrophobicContact CG1-CG1 4.02Å; I187-F207 HydrophobicContact CD1-CD1 4.09Å; I187-F207 HydrophobicContact CD1-CD2 3.75Å; I187-F207 HydrophobicContact CD1-CE1 3.79Å; I187-F207 HydrophobicContact CD1-CE2 3.44Å; I187-F207 VanDerWaalsContact CD1-CE2 3.44Å; I187-F207 HydrophobicContact CD1-CG 4.06Å; I187-F207 HydrophobicContact CD1-CZ 3.45Å; I187-F207 VanDerWaalsContact CD1-CZ 3.45Å
188N94.1Very high86.4Confident117 Ų11751.9 Ų51.963%0.62634%0.336SS*.Hα-helixtrans-61.8-28.4-171.9-68.4-1.6000113.5Q184 A185Q184-N188 PolarHBondContact NE2-OD1 2.64Å; Q184-N188 WeakPolarHBondContact O-CB 3.37Å; Q184-N188 PolarHBondContact O-N 3.03Å; Q184-N188 PolarHBondContact O-OD1 3.11Å; A185-N188 PolarHBondContact O-N 2.87Å
189S93Very high86.1Confident73 Ų7350.9 Ų50.951%0.5133%0.33SS..Hα-helixtrans-99.4-28.8-179-62.50000115A185 I187A185-S189 PolarHBondContact O-N 3.46Å; A185-S189 PolarHBondContact O-OG 2.79Å; I187-S189 PolarHBondContact O-N 2.86Å
190L92.6Very high85.7Confident5 Ų556.2 Ų56.23%0.02637%0.367CS..Hα-helixtrans-104.2-21.7-174.9-60.4179.4000114.1L149 F150 F153 A186 I187 G192 Q194 V205L149-L190 HydrophobicContact CD1-CD1 4.32Å; L149-L190 HydrophobicContact CD1-CD2 3.87Å; L149-L190 HydrophobicContact CD2-CD1 4.32Å; L149-L190 HydrophobicContact CG-CD1 4.01Å; L149-L190 HydrophobicContact CG-CD2 4.42Å; F150-L190 HydrophobicContact CD1-CD1 4.03Å; F150-L190 HydrophobicContact CD2-CD1 3.97Å; F150-L190 HydrophobicContact CE1-CD1 3.71Å; F150-L190 HydrophobicContact CE2-CD1 3.65Å; F150-L190 HydrophobicContact CG-CD1 4.15Å; F150-L190 HydrophobicContact CZ-CD1 3.5Å; F153-L190 HydrophobicContact CD2-CD1 4.15Å; F153-L190 HydrophobicContact CE2-CD1 3.66Å; F153-L190 HydrophobicContact CE2-CD2 3.9Å; F153-L190 HydrophobicContact CE2-CG 3.76Å; F153-L190 HydrophobicContact CZ-CD1 4.33Å; F153-L190 HydrophobicContact CZ-CD2 3.94Å; F153-L190 HydrophobicContact CZ-CG 3.92Å; A186-L190 VanDerWaalsContact O-CB 3.27Å; A186-L190 WeakPolarHBondContact O-CB 3.48Å; A186-L190 PolarHBondContact O-N 3.02Å; I187-L190 PolarHBondContact O-N 3.07Å; L190-G192 PolarHBondContact O-N 2.87Å; L190-Q194 HydrophobicContact CD2-CB 4.32Å; L190-V205 HydrophobicContact CB-CG2 3.75Å
191H91.3Very high85.6Confident102 Ų10254.8 Ų54.847%0.47237%0.368SS..THydrogen-bonded Turntrans-66.4118.6178.9-174.3102.3000111.2I187 G193 V205I187-H191 HydrophobicContact CG2-CB 4.39Å; I187-H191 WeakPolarHBondContact O-CB 3.37Å; I187-H191 PolarHBondContact O-N 2.95Å; H191-G193 PolarHBondContact O-N 2.82Å; H191-V205 HydrophobicContact CB-CB 4.29Å; H191-V205 PolarHBondContact ND1-N 3.32Å; H191-V205 PolarHBondContact ND1-O 3.49Å
192G85.5Confident85.8Confident41 Ų4153.8 Ų53.842%0.42336%0.357SS..THydrogen-bonded Turntrans71-25.717700000115.6L190 S202 L203L190-G192 PolarHBondContact O-N 2.87Å; G192-S202 WeakPolarHBondContact O-CB 3.35Å; G192-S202 PolarHBondContact O-OG 2.96Å; G192-L203 PolarHBondContact N-O 3.16Å
193G79.1Confident85.8Confident68 Ų6851.9 Ų51.970%0.70135%0.348SS*.THydrogen-bonded Turntrans-84-18.9-174.900000116.3H191H191-G193 PolarHBondContact O-N 2.82Å
194Q79.2Confident85.8Confident70 Ų7054.5 Ų54.533%0.32736%0.363SS..  trans-127.2141.6-176.7-154.5-158.86600112.6L149 L190 S202 L203L149-Q194 VanDerWaalsContact CD1-NE2 3.27Å; L149-Q194 VanDerWaalsContact CD1-OE1 3.24Å; L149-Q194 VanDerWaalsContact CD2-OE1 3.29Å; L190-Q194 HydrophobicContact CD2-CB 4.32Å; Q194-S202 CarbonylContact O-C 3.53Å; Q194-S202 VanDerWaalsContact O-CA 3.25Å; Q194-S202 WeakPolarHBondContact O-CA 3.44Å; Q194-L203 WeakPolarHBondContact O-CG 2.91Å; Q194-L203 PolarHBondContact O-N 3.01Å
195T81.4Confident85.9Confident75 Ų7551.6 Ų51.646%0.4635%0.35SS..  trans-119.3124.2174.3-600000109.5A199 S202T195-A199 HydrophobicContact CG2-CB 4.1Å; T195-S202 WeakPolarHBondContact OG1-CA 3.27Å; T195-S202 PolarHBondContact OG1-N 2.78Å
196M78.3Confident85.9Confident16 Ų1653.3 Ų53.38%0.07935%0.35CS..  trans-76.3152.1178-81.4-94.2-105.800112.1L137 Q141 D145 V146 L149 G198 A199 L203L137-M196 HydrophobicContact CD2-CE 3.75Å; L137-M196 HydrophobicContact CD2-CG 4.29Å; Q141-M196 HydrophobicContact CB-CE 4.31Å; Q141-M196 HydrophobicContact CG-CB 4.4Å; Q141-M196 HydrophobicContact CG-CE 4Å; Q141-M196 VanDerWaalsContact OE1-CE 3.24Å; D145-M196 HydrophobicContact CB-CE 4.31Å; V146-M196 HydrophobicContact CG2-CE 4.2Å; L149-M196 HydrophobicContact CD2-CE 4.11Å; L149-M196 HydrophobicContact CD2-CG 4.17Å; L149-M196 HydrophobicContact CD2-SD 3.89Å; M196-G198 PolarHBondContact O-N 3.33Å; M196-A199 HydrophobicContact CB-CB 4.28Å; M196-A199 WeakPolarHBondContact O-CB 3.47Å; M196-A199 PolarHBondContact O-N 3.43Å; M196-L203 HydrophobicContact CB-CD2 4.42Å; M196-L203 HydrophobicContact CG-CD1 3.97Å; M196-L203 HydrophobicContact CG-CD2 3.98Å; M196-L203 HydrophobicContact CG-CG 4.33Å
197P73.7Confident85.8Confident92 Ų9256.6 Ų56.660%0.59736%0.364SS*.THydrogen-bonded Turntrans-54.2127.1174-26.635.1000112.4Q141 A199Q141-P197 PolarHBondContact NE2-O 3.44Å; P197-A199 VanDerWaalsContact C-N 3.3Å; P197-A199 PolarHBondContact O-N 2.7Å
198G70.1Confident85.5Confident52 Ų5256.2 Ų56.254%0.53637%0.365SS..THydrogen-bonded Turntrans75.610.3-176.100000115.3G138 M196G138-G198 WeakPolarHBondContact CA-O 3.39Å; M196-G198 PolarHBondContact O-N 3.33Å
199A76.3Confident85Confident20 Ų2052.7 Ų52.717%0.16535%0.346CS..  trans-89.6142.7167.400000111.3M136 T195 M196 P197 S201M136-A199 WeakPolarHBondContact O-CB 3.24Å; T195-A199 HydrophobicContact CG2-CB 4.1Å; M196-A199 HydrophobicContact CB-CB 4.28Å; M196-A199 WeakPolarHBondContact O-CB 3.47Å; M196-A199 PolarHBondContact O-N 3.43Å; P197-A199 VanDerWaalsContact C-N 3.3Å; P197-A199 PolarHBondContact O-N 2.7Å; A199-S201 VanDerWaalsContact C-N 3.34Å
200S72.4Confident84.2Confident128 Ų12850.3 Ų50.390%0.89533%0.328SS*.SBendtrans-86.5-1.4178.1-480000113.8
201S83.7Confident83Confident64 Ų6455 Ų5545%0.44835%0.353SS..SBendtrans-162.1161.2-172.1-61.90000110.4A199A199-S201 VanDerWaalsContact C-N 3.34Å
202S89.8Confident81.8Confident46 Ų4656.7 Ų56.732%0.32236%0.359SS..  trans-61153.1172.1-51.70000112.6M136 G192 Q194 T195M136-S202 WeakPolarHBondContact CB-O 3.18Å; G192-S202 WeakPolarHBondContact O-CB 3.35Å; G192-S202 PolarHBondContact O-OG 2.96Å; Q194-S202 CarbonylContact O-C 3.53Å; Q194-S202 VanDerWaalsContact O-CA 3.25Å; Q194-S202 WeakPolarHBondContact O-CA 3.44Å; T195-S202 WeakPolarHBondContact OG1-CA 3.27Å; T195-S202 PolarHBondContact OG1-N 2.78Å
203L92.6Very high81.3Confident0 Ų058.7 Ų58.70%036%0.357CS..  trans-64.6136.6179.7-62.1-179.4000112.4G135 L137 L149 G192 Q194 M196 V205G135-L203 WeakPolarHBondContact O-CA 3.39Å; L137-L203 HydrophobicContact CD2-CD2 3.7Å; L137-L203 HydrophobicContact CG-CD2 4.31Å; L149-L203 HydrophobicContact CD2-CD1 3.55Å; G192-L203 PolarHBondContact N-O 3.16Å; Q194-L203 WeakPolarHBondContact O-CG 2.91Å; Q194-L203 PolarHBondContact O-N 3.01Å; M196-L203 HydrophobicContact CB-CD2 4.42Å; M196-L203 HydrophobicContact CG-CD1 3.97Å; M196-L203 HydrophobicContact CG-CD2 3.98Å; M196-L203 HydrophobicContact CG-CG 4.33Å; L203-V205 HydrophobicContact CB-CG2 4.02Å
204V92.9Very high81.1Confident54 Ų5460.3 Ų60.333%0.32734%0.343SS..EExtended strand (participates in β ladder)trans-102.586.5175.2-1790000108.3G135 M136G135-V204 PolarHBondContact N-O 3.4Å; G135-V204 PolarHBondContact O-N 2.9Å; M136-V204 HydrophobicContact CB-CG2 4.5Å; M136-V204 HydrophobicContact CG-CG2 3.71Å
205V94.6Very high80.7Confident0 Ų061.5 Ų61.50%036%0.355CS..EExtended strand (participates in β ladder)trans-95.1120.6-179.1-171.20000109.8L132 F133 V134 F150 I187 L190 H191 L203L132-V205 HydrophobicContact CB-CG1 4.48Å; L132-V205 HydrophobicContact CD1-CG1 3.79Å; F133-V205 WeakPolarHBondContact O-CA 3.47Å; V134-V205 HydrophobicContact CG1-CG2 4.38Å; F150-V205 HydrophobicContact CE1-CG1 3.84Å; F150-V205 HydrophobicContact CE1-CG2 4.42Å; F150-V205 HydrophobicContact CZ-CG1 4.06Å; F150-V205 HydrophobicContact CZ-CG2 3.83Å; I187-V205 HydrophobicContact CG1-CG1 4.02Å; L190-V205 HydrophobicContact CB-CG2 3.75Å; H191-V205 HydrophobicContact CB-CB 4.29Å; H191-V205 PolarHBondContact ND1-N 3.32Å; H191-V205 PolarHBondContact ND1-O 3.49Å; L203-V205 HydrophobicContact CB-CG2 4.02Å
206K93.6Very high80.4Confident76 Ų7662.4 Ų62.433%0.3336%0.356SS..EExtended strand (participates in β ladder)trans-150.7167.6178.359.1152.7-171.1160.70110.6L132 F133 D209L132-K206 CarbonylContact C-O 3.45Å; L132-K206 WeakPolarHBondContact CA-O 3.3Å; F133-K206 HydrophobicContact CB-CG 4.27Å; F133-K206 HydrophobicContact CD1-CG 4.22Å; F133-K206 PolarHBondContact N-O 2.87Å; F133-K206 PolarHBondContact O-N 3.41Å; K206-D209 IonicContact NZ-OD1 3.73Å; K206-D209 PolarHBondContact NZ-OD1 2.69Å
207F92.8Very high80.4Confident68 Ų6868 Ų6830%0.29838%0.376SS..EExtended strand (participates in β ladder)trans-58.5144.9165.9-62.8-66.1000111.3D129 L132 H180 A183 I187D129-F207 WeakPolarHBondContact O-CE1 3.38Å; L132-F207 HydrophobicContact CD2-CD1 3.69Å; L132-F207 HydrophobicContact CD2-CE1 3.87Å; L132-F207 HydrophobicContact CD2-CG 4.43Å; H180-F207 AromaticContact CE1-CZ 3.46Å; H180-F207 VanDerWaalsContact CE1-CZ 3.46Å; H180-F207 WeakPolarHBondContact CE1-CZ 3.17Å; H180-F207 AromaticContact ND1-CE1 3.85Å; H180-F207 AromaticContact ND1-CZ 3.76Å; A183-F207 HydrophobicContact CB-CE1 4.12Å; I187-F207 HydrophobicContact CD1-CD1 4.09Å; I187-F207 HydrophobicContact CD1-CD2 3.75Å; I187-F207 HydrophobicContact CD1-CE1 3.79Å; I187-F207 HydrophobicContact CD1-CE2 3.44Å; I187-F207 VanDerWaalsContact CD1-CE2 3.44Å; I187-F207 HydrophobicContact CD1-CG 4.06Å; I187-F207 HydrophobicContact CD1-CZ 3.45Å; I187-F207 VanDerWaalsContact CD1-CZ 3.45Å
208A89.5Confident80.6Confident14 Ų1471.4 Ų71.412%0.11638%0.377CS..PPolyproline II helixtrans-81.3128.7-178.600000111K131 F133 F174 T210K131-A208 HydrophobicContact CB-CB 4.32Å; K131-A208 HydrophobicContact CG-CB 4.15Å; K131-A208 WeakPolarHBondContact O-CB 3.01Å; K131-A208 PolarHBondContact O-N 2.99Å; F133-A208 HydrophobicContact CB-CB 4.36Å; F174-A208 HydrophobicContact CD1-CB 3.88Å; F174-A208 HydrophobicContact CE1-CB 3.69Å; A208-T210 PolarHBondContact O-N 2.8Å
209D82.8Confident80.7Confident42 Ų4274.6 Ų74.623%0.22538%0.38CS..PPolyproline II helixtrans-50.5126170.2-57.725.3000110.2K206 R217K206-D209 IonicContact NZ-OD1 3.73Å; K206-D209 PolarHBondContact NZ-OD1 2.69Å; D209-R217 IonicContact OD1-NH1 2.69Å; D209-R217 IonicContact OD2-CZ 3.96Å; D209-R217 IonicContact OD2-NH1 2.78Å; D209-R217 PolarHBondContact OD2-NH1 2.97Å
210T75.8Confident80.7Confident24 Ų2479.7 Ų79.715%0.14740%0.4CS..PPolyproline II helixtrans-60.7154.5178.262.90000111.1E128 A208 K212 E213 R214E128-T210 HydrophobicContact CB-CG2 3.95Å; E128-T210 HydrophobicContact CG-CG2 3.76Å; E128-T210 WeakPolarHBondContact OE1-CB 3.26Å; E128-T210 WeakPolarHBondContact OE1-CG2 3.39Å; A208-T210 PolarHBondContact O-N 2.8Å; T210-K212 PolarHBondContact O-N 2.71Å; T210-K212 VanDerWaalsContact O-N 3.16Å; T210-E213 WeakPolarHBondContact CB-OE2 3.24Å; T210-E213 VanDerWaalsContact CG2-OE2 3.3Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.22Å; T210-E213 PolarHBondContact N-OE2 3.25Å; T210-E213 PolarHBondContact O-N 2.96Å; T210-E213 VanDerWaalsContact O-N 3.12Å; T210-E213 WeakPolarHBondContact OG1-CB 3.2Å; T210-E213 VanDerWaalsContact OG1-CG 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.47Å; T210-E213 PolarHBondContact OG1-N 3.46Å; T210-E213 VanDerWaalsContact OG1-N 3.1Å; T210-E213 PolarHBondContact OG1-OE2 3.35Å; T210-R214 WeakPolarHBondContact O-CB 3.44Å; T210-R214 PolarHBondContact O-N 3.26Å
211D68.4Low80.6Confident102 Ų10280.8 Ų80.855%0.54539%0.391SS..Hα-helixtrans-64.4-21.7177.4-77.1-68.1000112.7R214 T215D211-R214 IonicContact OD1-CZ 3.05Å; D211-R214 VanDerWaalsContact OD1-CZ 3.25Å; D211-R214 IonicContact OD1-NE 2.71Å; D211-R214 IonicContact OD1-NH1 3.69Å; D211-R214 PolarHBondContact OD1-NH1 2.62Å; D211-R214 IonicContact OD1-NH2 3.68Å; D211-T215 VanDerWaalsContact O-CB 3.3Å; D211-T215 WeakPolarHBondContact O-CB 3.11Å; D211-T215 PolarHBondContact O-N 3.27Å; D211-T215 PolarHBondContact O-OG1 2.82Å
212K66.4Low79.6Confident139 Ų13983 Ų8360%0.60440%0.395SS*.Hα-helixtrans-67-52.8170-62.9161.3-168.3139.70110.8E128 T210 T215 L216E128-K212 IonicContact OE1-NZ 3.39Å; T210-K212 PolarHBondContact O-N 2.71Å; T210-K212 VanDerWaalsContact O-N 3.16Å; K212-T215 PolarHBondContact O-N 3.36Å; K212-L216 WeakPolarHBondContact O-CB 3.44Å; K212-L216 PolarHBondContact O-N 2.72Å
213E73.3Confident78.1Confident82 Ų8283.9 Ų83.938%0.38341%0.406SS..Hα-helixtrans-64-39.9175.5-72.4166.7100.400112.6T210 T215 L216 R217T210-E213 WeakPolarHBondContact CB-OE2 3.24Å; T210-E213 VanDerWaalsContact CG2-OE2 3.3Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.22Å; T210-E213 PolarHBondContact N-OE2 3.25Å; T210-E213 PolarHBondContact O-N 2.96Å; T210-E213 VanDerWaalsContact O-N 3.12Å; T210-E213 WeakPolarHBondContact OG1-CB 3.2Å; T210-E213 VanDerWaalsContact OG1-CG 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.47Å; T210-E213 PolarHBondContact OG1-N 3.46Å; T210-E213 VanDerWaalsContact OG1-N 3.1Å; T210-E213 PolarHBondContact OG1-OE2 3.35Å; E213-T215 VanDerWaalsContact C-N 3.3Å; E213-T215 PolarHBondContact O-N 2.89Å; E213-L216 PolarHBondContact O-N 3.04Å; E213-R217 VanDerWaalsContact O-CB 3.3Å; E213-R217 WeakPolarHBondContact O-CB 3.35Å; E213-R217 WeakPolarHBondContact O-CG 3.3Å; E213-R217 PolarHBondContact O-N 2.89Å
214R75Confident76.3Confident103 Ų10387 Ų8739%0.38944%0.437SS..Hα-helixtrans-59.2-43.8175.9-173.8-175.5-60.6173.5-1.7110.9T210 D211 R218T210-R214 WeakPolarHBondContact O-CB 3.44Å; T210-R214 PolarHBondContact O-N 3.26Å; D211-R214 IonicContact OD1-CZ 3.05Å; D211-R214 VanDerWaalsContact OD1-CZ 3.25Å; D211-R214 IonicContact OD1-NE 2.71Å; D211-R214 IonicContact OD1-NH1 3.69Å; D211-R214 PolarHBondContact OD1-NH1 2.62Å; D211-R214 IonicContact OD1-NH2 3.68Å; R214-R218 VanDerWaalsContact O-CB 3.27Å; R214-R218 WeakPolarHBondContact O-CB 3.08Å; R214-R218 PolarHBondContact O-N 3.04Å
215T71.2Confident74.2Confident95 Ų9592.4 Ų92.458%0.58346%0.459SS*.Hα-helixtrans-65-44.9175.4-58.70000111D211 K212 E213 R218 M219D211-T215 VanDerWaalsContact O-CB 3.3Å; D211-T215 WeakPolarHBondContact O-CB 3.11Å; D211-T215 PolarHBondContact O-N 3.27Å; D211-T215 PolarHBondContact O-OG1 2.82Å; K212-T215 PolarHBondContact O-N 3.36Å; E213-T215 VanDerWaalsContact C-N 3.3Å; E213-T215 PolarHBondContact O-N 2.89Å; T215-R218 PolarHBondContact O-N 3.45Å; T215-M219 WeakPolarHBondContact O-CB 3.45Å; T215-M219 PolarHBondContact O-N 2.98Å
216L76.2Confident72Confident94 Ų9499.1 Ų99.149%0.49249%0.494SS..Hα-helixtrans-65.2-38.6178.4-17562.5000113.2K212 E213 M219 H220K212-L216 WeakPolarHBondContact O-CB 3.44Å; K212-L216 PolarHBondContact O-N 2.72Å; E213-L216 PolarHBondContact O-N 3.04Å; L216-M219 HydrophobicContact CD1-CE 4.01Å; L216-M219 PolarHBondContact O-N 3.07Å; L216-H220 PolarHBondContact O-N 2.92Å; L216-H220 PolarHBondContact O-ND1 3.27Å
217R77.3Confident69.8Low132 Ų13298.8 Ų98.850%0.49851%0.513SS..Hα-helixtrans-68.2-41.1173.7-77.3-179.1168.9-178.8-2.7111.6D209 E213 M219 H220 Q221D209-R217 IonicContact OD1-NH1 2.69Å; D209-R217 IonicContact OD2-CZ 3.96Å; D209-R217 IonicContact OD2-NH1 2.78Å; D209-R217 PolarHBondContact OD2-NH1 2.97Å; E213-R217 VanDerWaalsContact O-CB 3.3Å; E213-R217 WeakPolarHBondContact O-CB 3.35Å; E213-R217 WeakPolarHBondContact O-CG 3.3Å; E213-R217 PolarHBondContact O-N 2.89Å; R217-M219 VanDerWaalsContact C-N 3.34Å; R217-H220 PolarHBondContact O-N 2.91Å; R217-Q221 WeakPolarHBondContact O-CG 3.47Å; R217-Q221 PolarHBondContact O-N 3.44Å
218R77.8Confident67.5Low164 Ų164103.1 Ų103.162%0.61954%0.537SS*.Hα-helixtrans-62.5-42174-165.7179.3-163.2-179.93.6111.3R214 T215 Q221 M222R214-R218 VanDerWaalsContact O-CB 3.27Å; R214-R218 WeakPolarHBondContact O-CB 3.08Å; R214-R218 PolarHBondContact O-N 3.04Å; T215-R218 PolarHBondContact O-N 3.45Å; R218-Q221 PolarHBondContact O-N 2.8Å; R218-M222 HydrophobicContact CG-CE 3.97Å; R218-M222 HydrophobicContact CG-SD 4.19Å; R218-M222 WeakPolarHBondContact O-CB 3.32Å; R218-M222 VanDerWaalsContact O-CG 3.3Å; R218-M222 WeakPolarHBondContact O-CG 3.26Å; R218-M222 PolarHBondContact O-N 2.76Å
219M72Confident65Low119 Ų119111.3 Ų111.359%0.58657%0.571SS**Hα-helixtrans-62.6-43.9174.5-166.2-178.184.800111.9T215 L216 R217 M222 A223T215-M219 WeakPolarHBondContact O-CB 3.45Å; T215-M219 PolarHBondContact O-N 2.98Å; L216-M219 HydrophobicContact CD1-CE 4.01Å; L216-M219 PolarHBondContact O-N 3.07Å; R217-M219 VanDerWaalsContact C-N 3.34Å; M219-M222 PolarHBondContact O-N 3.22Å; M219-A223 WeakPolarHBondContact O-CB 3.3Å; M219-A223 PolarHBondContact O-N 2.7Å
220H75.8Confident62.9Low127 Ų127114.2 Ų114.259%0.58859%0.594SS**Hα-helixtrans-62.3-41.8173.7-92.480000113.1L216 R217 M222 A223 G224L216-H220 PolarHBondContact O-N 2.92Å; L216-H220 PolarHBondContact O-ND1 3.27Å; R217-H220 PolarHBondContact O-N 2.91Å; H220-M222 VanDerWaalsContact C-N 3.35Å; H220-A223 PolarHBondContact O-N 3.1Å; H220-G224 PolarHBondContact O-N 3.36Å
221Q72.2Confident61.2Low151 Ų151118.6 Ų118.671%0.70662%0.623SS**Hα-helixtrans-66.9-35.8177.2-74.7177.9-1100112.4R217 R218 G224 Q225R217-Q221 WeakPolarHBondContact O-CG 3.47Å; R217-Q221 PolarHBondContact O-N 3.44Å; R218-Q221 PolarHBondContact O-N 2.8Å; Q221-G224 PolarHBondContact O-N 2.95Å; Q221-Q225 PolarHBondContact O-N 2.9Å
222M61.2Low59.4Low110 Ų110122.2 Ų122.254%0.54264%0.639SS.*Hα-helixtrans-68.4-40.5173-72.6168.7168.300112R218 M219 H220 G224 Q225R218-M222 HydrophobicContact CG-CE 3.97Å; R218-M222 HydrophobicContact CG-SD 4.19Å; R218-M222 WeakPolarHBondContact O-CB 3.32Å; R218-M222 VanDerWaalsContact O-CG 3.3Å; R218-M222 WeakPolarHBondContact O-CG 3.26Å; R218-M222 PolarHBondContact O-N 2.76Å; M219-M222 PolarHBondContact O-N 3.22Å; H220-M222 VanDerWaalsContact C-N 3.35Å; M222-G224 VanDerWaalsContact C-N 3.3Å; M222-G224 PolarHBondContact O-N 3.34Å; M222-Q225 PolarHBondContact O-N 3.12Å
223A59.1Low57.9Low65 Ų65122 Ų12254%0.53765%0.65SS.*Hα-helixtrans-61.3-38.3173.200000112.1M219 H220 Q225 L226M219-A223 WeakPolarHBondContact O-CB 3.3Å; M219-A223 PolarHBondContact O-N 2.7Å; H220-A223 PolarHBondContact O-N 3.1Å; A223-Q225 PolarHBondContact O-N 3.31Å; A223-L226 PolarHBondContact O-N 3.49Å
224G54.3Low56.1Low65 Ų65125.3 Ų125.367%0.6767%0.668SS**THydrogen-bonded Turntrans-68.3-10.6176.200000115.6H220 Q221 M222H220-G224 PolarHBondContact O-N 3.36Å; Q221-G224 PolarHBondContact O-N 2.95Å; M222-G224 VanDerWaalsContact C-N 3.3Å; M222-G224 PolarHBondContact O-N 3.34Å
225Q48.2Very low54Low168 Ų168129.2 Ų129.279%0.78569%0.691SS**THydrogen-bonded Turntrans-88.2-16.3178.1-159.6172.516.100113.1Q221 M222 A223 G227Q221-Q225 PolarHBondContact O-N 2.9Å; M222-Q225 PolarHBondContact O-N 3.12Å; A223-Q225 PolarHBondContact O-N 3.31Å; Q225-G227 PolarHBondContact O-N 2.98Å
226L48.5Very low52Low141 Ų141134 Ų13474%0.73870%0.704SS**SBendtrans-90.891.9169.4-70.3172.7000108.8A223 I228A223-L226 PolarHBondContact O-N 3.49Å; L226-I228 PolarHBondContact O-N 3.22Å
227G47.8Very low49.9Very low70 Ų70132.5 Ų132.572%0.72271%0.711SS**  trans-65.185.2-167.800000115.5Q225Q225-G227 PolarHBondContact O-N 2.98Å
228I44.1Very low47.6Very low158 Ų158131.1 Ų131.181%0.8173%0.729SS**  trans-108.8103.9167.2-58.4179.2000108.4L226L226-I228 PolarHBondContact O-N 3.22Å
229F38.1Very low45.4Very low187 Ų187134.7 Ų134.782%0.8274%0.744SS**  trans-61.5152.6165.8-70.7-100.6000109.6
230S38.2Very low43.5Very low102 Ų102132.7 Ų132.771%0.71375%0.753SS**  cis-155.2175.310.7-125.10000109.6
231P40.7Very low41.3Very low116 Ų116131.7 Ų131.775%0.75377%0.768SS**  trans-77.9136.3-169.230.8-35000114.4
232M30.3Very low39.4Very low178 Ų178135.9 Ų135.988%0.87778%0.778SS**  trans-96.9130.4146.3-88.6-161.5177.600109.4I234M232-I234 PolarHBondContact O-N 3.38Å; M232-I234 VanDerWaalsContact O-N 3.1Å
233T34.2Very low38Very low136 Ų136135.9 Ų135.983%0.83479%0.789SS**  trans-77.687.817449.60000110.6Q235T233-Q235 PolarHBondContact O-N 3.41Å
234I36.2Very low36.8Very low150 Ų150142.1 Ų142.177%0.76981%0.807SS**  trans-79.8100.6165.1-64-172.9000108.6M232 F236M232-I234 PolarHBondContact O-N 3.38Å; M232-I234 VanDerWaalsContact O-N 3.1Å; I234-F236 PolarHBondContact O-N 3.43Å
235Q30.1Very low35.7Very low186 Ų186142.8 Ų142.887%0.86981%0.806SS**  trans-71.588.6-178.8-177.2175.9-1000110.6T233 G237T233-Q235 PolarHBondContact O-N 3.41Å; Q235-G237 PolarHBondContact O-N 2.97Å
236F30Very low34.9Very low194 Ų194141.9 Ų141.985%0.85181%0.812SS**PPolyproline II helixtrans-73.8122.7174.8-151-90.9000110I234 A238I234-F236 PolarHBondContact O-N 3.43Å; F236-A238 PolarHBondContact O-N 3.43Å
237G32.3Very low34Very low63 Ų63140 Ų14065%0.64981%0.81SS**PPolyproline II helixtrans-66124.4-171.100000113.1Q235Q235-G237 PolarHBondContact O-N 2.97Å
238A28.7Very low33.2Very low104 Ų104144.5 Ų144.586%0.8682%0.817SS**PPolyproline II helixtrans-76.8128.7173.100000110.8F236F236-A238 PolarHBondContact O-N 3.43Å
239Y31.7Very low32.6Very low238 Ų238142.4 Ų142.493%0.93382%0.816SS**  trans-130122.8172.7-124.3-87.4000109.6
240G31.3Very low33.1Very low77 Ų77139.3 Ų139.379%0.79482%0.815SS**  trans85.488.916700000117
241A29.6Very low32.7Very low107 Ų107139.5 Ų139.588%0.88482%0.822SS**  trans-148.862.6161.200000111.7
242Y32.4Very low32.3Very low238 Ų238137.5 Ų137.593%0.93382%0.823SS**  trans-85.3109.6168.9-96.8-90000109.8
243S31.3Very low32.6Very low110 Ų110138.4 Ų138.477%0.76983%0.825SS**  trans167.299.4139.642.30000114.4
244H34.4Very low32.5Very low197 Ų197140.8 Ų140.891%0.91283%0.827SS**  trans178.6151.2145.9-118-122.6000108.6
245A32.5Very low32.4Very low78 Ų78139.2 Ų139.265%0.64582%0.824SS**  cis-163.4166.7-29.400000107
246V30.7Very low32.9Very low150 Ų150139.5 Ų139.591%0.90983%0.826SS**  trans-77.8127.9-175.4175.20000112.3
247S29.9Very low33.2Very low100 Ų100137.5 Ų137.570%0.69982%0.821SS**  trans-159.7105.3156.7179.60000113.4
248L30.8Very low33.9Very low165 Ų165142.3 Ų142.386%0.86483%0.828SS**  trans43.6119.4140.9-62.7161.8000121.1
249S31.3Very low34.9Very low115 Ų115146.4 Ų146.480%0.80483%0.83SS**  trans-77.9-172.7172-31.10000113.3
250P48.3Very low35.6Very low121 Ų121144.4 Ų144.479%0.78683%0.829SS**  cis-141.2-1741.442.3-23000117.8
251A30.3Very low36.2Very low106 Ų106150.3 Ų150.388%0.87684%0.836SS**  trans84.5129.5156.200000119.8
252G32.9Very low36.9Very low74 Ų74150.2 Ų150.276%0.76384%0.835SS**  trans145.464.4171.800000117.6
253E35.9Very low37.2Very low198 Ų198143.5 Ų143.593%0.92583%0.829SS**  trans38.290.3150.9-65.6171.5125.800121.6
254E31Very low37.8Very low185 Ų185146.3 Ų146.386%0.86483%0.834SS**  16.8122.5126.2-161176.7148.500121.5
255T35Very low38.2Very low118 Ų118146 Ų14672%0.72484%0.836SS**  trans148.5109.5130.1-64.60000113.5
256Q41.3Very low38.5Very low192 Ų192147.4 Ų147.490%0.89785%0.847SS**  -174.4154.5110.2-161.414910700111.7
257M36.3Very low38.5Very low152 Ų152144.4 Ų144.475%0.74984%0.838SS**  trans-99.3135.1-162.3-101.7175.266.400116.1
258M46.9Very low38.5Very low163 Ų163145.8 Ų145.880%0.80384%0.843SS**  42.488.3118.2-165.4-174.38900119.1
259Q49.2Very low38.6Very low191 Ų191147.1 Ų147.189%0.89384%0.844SS**  trans-156.480.6154.2-168.6175.39100114.6
260Q46.9Very low38.5Very low196 Ų196144.5 Ų144.592%0.91684%0.835SS**  trans-163.967.7152.5-164.2147.48300114.9
261Q43.2Very low37.5Very low200 Ų200143.9 Ų143.994%0.93583%0.834SS**  trans-153.877.3163.4-164154.259.200114
262A45Very low37.9Very low106 Ų106149.2 Ų149.288%0.87683%0.833SS**  trans-157.159.7173.400000112.9
263A37.6Very low37.7Very low96 Ų96153.3 Ų153.379%0.79384%0.836SS**  trans-146.18.6-179.900000116.1
264L45.2Very low37.6Very low169 Ų169151 Ų15189%0.88583%0.831SS**  trans-115.666.2174.2-88.983.5000111.4
265M42.4Very low38Very low191 Ų191148.6 Ų148.694%0.94183%0.831SS**  trans-163.978.2158-118.7-174.9-65.800112.6
266A38.6Very low38.2Very low108 Ų108151.5 Ų151.589%0.89384%0.839SS**  trans-151.6105.6160.400000108
267A31.1Very low38.2Very low87 Ų87146.9 Ų146.972%0.71983%0.833SS**  trans-97.2165.8-178.900000111.4
268T29.3Very low38.1Very low129 Ų129144.8 Ų144.879%0.79184%0.84SS**  trans54.2114.4159.256.70000118.5
269Q32.3Very low37.8Very low192 Ų192145 Ų14590%0.89784%0.843SS**  -164.2163.4110-98.9-55.7-6.300111.1
270G29.1Very low37.1Very low60 Ų60140.7 Ų140.762%0.61984%0.839SS**  trans-79.3-174.5-161.200000119.9
271S29Very low36.5Very low108 Ų108136.5 Ų136.576%0.75584%0.838SS**  trans88107.3153.9-62.70000121.4
272Y36.8Very low36.1Very low219 Ų219132 Ų13286%0.85984%0.835SS**  70138.4128.1-80.2-80.7000123.4
273L29.7Very low35.5Very low159 Ų159135.9 Ų135.983%0.83284%0.835SS**  trans92.5156.5157.6-66.5164.6000120.4
274N33Very low35.5Very low151 Ų151139.1 Ų139.181%0.80784%0.836SS**  trans-78.9148.2-162.6-67.2-5.3000114.3M276N274-M276 PolarHBondContact O-N 3.35Å
275P39.5Very low35.2Very low134 Ų134139.4 Ų139.487%0.8783%0.833SS**  trans-85.7106.9164.533.3-30.6000111.8
276M39Very low34.9Very low179 Ų179139 Ų13988%0.88283%0.829SS**  trans-144.7139.8158.3-173.259.2141.800107.9N274N274-M276 PolarHBondContact O-N 3.35Å
277A41Very low34.7Very low95 Ų95142 Ų14279%0.78583%0.826SS**  trans67.795.6-170.400000116.1
278A35.2Very low34.6Very low107 Ų107142.7 Ų142.788%0.88483%0.832SS**  trans-150.148.1159.900000110.5
279I39.8Very low34.6Very low168 Ų168141.2 Ų141.286%0.86283%0.833SS**  trans-110.2147.5175.1-65.3175.5000108.1
280A36Very low34.4Very low100 Ų100141 Ų14183%0.82683%0.83SS**  trans7581.8177.800000117.1
281A33.2Very low34.6Very low108 Ų108144.5 Ų144.589%0.89383%0.834SS**  trans-158.956.9158.300000113.4
282A34.7Very low34.7Very low105 Ų105144.8 Ų144.887%0.86883%0.831SS**  trans-163.875.1171.800000113.5
283Q32.3Very low34.3Very low188 Ų188141.1 Ų141.188%0.87983%0.826SS**  trans-140.9141.8167.3-165.7-178.716.500110.1
284M37.3Very low34.3Very low164 Ų164136 Ų13681%0.80881%0.811SS**  trans68.790.9165.8-169.4174.8-68.300118.6
285Q40.5Very low34.1Very low175 Ų175136.6 Ų136.682%0.81881%0.814SS**  trans-175.7144.7143.1-103.3162.2-45.500108.9
286Q35.2Very low33.7Very low183 Ų183136.4 Ų136.486%0.85581%0.81SS**  cis-154171.1-20.5-138.1174.88.300109.9
287M34.9Very low33.2Very low170 Ų170132.2 Ų132.284%0.83780%0.804SS**  trans-117.3115.2-171.1175.2-173.2-173.700111.4
288A29Very low32.7Very low102 Ų102134 Ų13484%0.84381%0.805SS**  trans-164.998.1171.400000114.4
289A29.6Very low32.9Very low99 Ų99133.9 Ų133.982%0.81880%0.795SS**  trans-164.6108.2155.900000112.1
290F28.1Very low32.4Very low187 Ų187134.5 Ų134.582%0.8280%0.797SS**  trans-130.6161.8168.8-80.6-89.2000107.3
291N32.3Very low32.3Very low134 Ų134135.9 Ų135.972%0.71780%0.795SS**  cis-142.6-177.49.5-152.58.7000106.5
292V31.2Very low32.4Very low114 Ų114136.3 Ų136.369%0.69179%0.789SS**  cis-149.1-172.417.7-143.80000105.5
293N29.3Very low32.3Very low142 Ų142136.4 Ų136.476%0.75978%0.783SS**  cis-160.41521-171.455.7000108
294G28.8Very low32.2Very low50 Ų50133.7 Ų133.752%0.51579%0.785SS.*  cis165.7148-1500000112.3
295L30.2Very low31.7Very low164 Ų164129.6 Ų129.686%0.85979%0.785SS**  trans71.1140.6169.3-49.4174.7000115.9
296V30.5Very low31.2Very low131 Ų131128 Ų12879%0.79479%0.788SS**  cis-157.5156.2-6.8102.30000112.7
297A28.2Very low30.9Very low91 Ų91125 Ų12575%0.75279%0.786SS**  trans63.8136.6160.800000122.7
298T30.5Very low31.2Very low132 Ų132123.3 Ų123.381%0.8179%0.786SS**  trans-104-172163.356.60000108.3
299P40.1Very low31.9Very low105 Ų105124.2 Ų124.268%0.68278%0.783SS**  cis-143.7-178.2447.1-29.2000117.6
300M28.4Very low32.9Very low181 Ų181125.6 Ų125.689%0.89278%0.784SS**  trans74.5160.4153.5-64.5-89.217900120.9
301T33.2Very low33.1Very low129 Ų129119.9 Ų119.979%0.79178%0.777SS**  trans-87.9173.6-179.746.80000111.5
302P36.9Very low33.2Very low116 Ų116121.3 Ų121.375%0.75378%0.783SS**  cis-147.2-171.526.644.5-22.4000118.9
303S31.6Very low33.2Very low107 Ų107121.6 Ų121.675%0.74879%0.791SS**  trans7.6141.3161.3-53.10000124.7
304S30.3Very low33.2Very low131 Ų131118.7 Ų118.792%0.91679%0.786SS**  trans76.3122.6146.6-59.60000120.1
305G26.9Very low33.3Very low79 Ų79122.8 Ų122.881%0.81480%0.801SS**  trans174.595.2170.300000116.3
306T30.2Very low33.3Very low142 Ų142119.1 Ų119.187%0.87180%0.795SS**  trans-41.3151.5171.449.50000119
307S29.8Very low33.5Very low118 Ų118119.6 Ų119.683%0.82580%0.797SS**  trans-154.2131.4138.7560000113.9
308T40Very low34Very low135 Ų135120.9 Ų120.983%0.82880%0.798SS**  trans-147.7149.7168.549.50000109.3
309P44.9Very low34.4Very low121 Ų121120.4 Ų120.479%0.78680%0.8SS**  trans-147.2175.6143.339.4-24.9000113.2
310P49.5Very low33.9Very low128 Ų128124 Ų12483%0.83181%0.812SS**  cis-131.7165.8-44.937.5-23.4000112.5
311G31.6Very low33.9Very low67 Ų67119.6 Ų119.669%0.69181%0.805SS**  trans-176.672.5177.100000117.2
312I35.7Very low34Very low164 Ų164119.9 Ų119.984%0.84181%0.806SS**  trans37.1114.1158.156.6172.2000121.5
313S30.2Very low34.4Very low121 Ų121120.1 Ų120.185%0.84681%0.808SS**  trans25.4139.5133.1-55.90000122
314A30.6Very low34.8Very low80 Ų80123 Ų12366%0.66181%0.813SS**  cis-169.7171.3-4.400000111.8
315T30.9Very low34.8Very low136 Ų136120.3 Ų120.383%0.83481%0.806SS**  trans60.8120.5168.449.60000117.8
316A29.4Very low34.9Very low87 Ų87122.9 Ų122.972%0.71981%0.806SS**  cis8013149.600000113.5
317V35.2Very low35.2Very low141 Ų141122.5 Ų122.586%0.85580%0.799SS**  cis-139-133.30.5-88.40000112.4
318P38.9Very low35.1Very low118 Ų118120.3 Ų120.377%0.76679%0.794SS**  -120.7170.9-125.139.2-19.7000117
319S37.7Very low34.8Very low122 Ų122122.4 Ų122.485%0.85379%0.792SS**  trans-76.6141.7175.1-47.10000113.8
320I30.5Very low34.2Very low180 Ų180121.4 Ų121.492%0.92379%0.788SS**  trans-152.7176.4157.9-124.2168.1000111.7
321A27Very low33.2Very low90 Ų90120.1 Ų120.174%0.74479%0.788SS**  trans-67.1176.8-157.800000119
322T36.7Very low33.4Very low135 Ų135125 Ų12583%0.82880%0.797SS**  trans-60.7158.5176.353.70000113.8
323P45.1Very low34.6Very low120 Ų120122.8 Ų122.878%0.77979%0.794SS**  -151.717896.240.5-22.5000117.5
324I39.4Very low35.7Very low167 Ų167122.9 Ų122.986%0.85679%0.792SS**  trans-18.8143.1165.7-62.9163.4000118.7
325G30.3Very low35.9Very low75 Ų75128 Ų12877%0.77380%0.802SS**  trans-155.6128.1160.500000114.6
326V29.8Very low35.7Very low133 Ų133127.4 Ų127.481%0.80680%0.803SS**  trans-98.7174.5166.6-69.60000108.9
327N35.8Very low35.9Very low135 Ų135131 Ų13172%0.72281%0.811SS**  cis-165.6171.427.6-152.4-4.2000111.1
328G27.8Very low35.5Very low71 Ų71127.6 Ų127.673%0.73280%0.803SS**  trans-165.9117.2175.100000115.9
329F33.7Very low35Very low179 Ų179131 Ų13179%0.78581%0.809SS**  trans-95.2172.8-175.4-83.8-120.6000112.6
330S33Very low35.8Very low101 Ų101129.6 Ų129.671%0.70680%0.797SS**  cis175.8148.5-29.9-84.40000108.9
331A28.1Very low35.6Very low100 Ų100127.1 Ų127.183%0.82679%0.791SS**  trans-164.3138.6157.300000114.6
332L35.3Very low35.7Very low169 Ų169128.7 Ų128.789%0.88580%0.796SS**  trans-149.9-177.4167-75.8-179.4000105.7
333P61.9Low35.1Very low118 Ų118130.9 Ų130.977%0.76680%0.797SS**  cis-132.2-146.68.945.2-22.9000110.1
334P52.9Low35.7Very low124 Ų124130.2 Ų130.281%0.80579%0.792SS**  cis-130.6-1784.540.1-18.9000118.1
335Q33.6Very low35.2Very low187 Ų187128.8 Ų128.887%0.87479%0.785SS**  trans-97174.9-175-62-178.1-45.200114.8
336S27.9Very low35.2Very low124 Ų124135.4 Ų135.487%0.86779%0.788SS**  trans-139.5170.8139.263.80000111.1
337N32.4Very low35Very low163 Ų163134.6 Ų134.687%0.87278%0.784SS**  trans-143.5154.8-162.4176.639.9000112.1
338G27.9Very low34.6Very low68 Ų68135.4 Ų135.470%0.70179%0.788SS**  trans178.3143.7174.900000118
339Q27.2Very low34.6Very low189 Ų189135 Ų13588%0.88378%0.784SS**  trans-159.6176.2178.1-128-172-34.200107
340P55.3Low34.3Very low94 Ų94134.7 Ų134.761%0.6179%0.789SS**  cis-141.1-157.4-8.839.8-17000115
341T27.2Very low34.5Very low128 Ų128138 Ų13879%0.78579%0.793SS**  trans70.5122.2148.845.70000124.3
342S28.1Very low35.1Very low122 Ų122139.1 Ų139.185%0.85379%0.792SS**  -175.5152.3110.457.90000114.4
343E25.3Very low34.9Very low182 Ų182141.1 Ų141.185%0.8579%0.789SS**  trans-125.9-163.4169-68.4-167.1102.300109
344P57.4Low34.6Very low105 Ų105141 Ų14168%0.68279%0.788SS**  -116.9-159.2-73.833.5-15.8000111.4
345I27.3Very low33.4Very low138 Ų138139.2 Ų139.271%0.70878%0.784SS**  trans138113.4145.3-75.3173.5000117.9
346Y30.1Very low33.1Very low213 Ų213139.7 Ų139.784%0.83579%0.786SS**  trans59.2161.9145.8-71-115.5000120.2
347T25.8Very low32.9Very low116 Ų116139 Ų13971%0.71278%0.782SS**  cis-149.2178.316.4-159.60000115.1
348N28.5Very low33.5Very low153 Ų153136.6 Ų136.682%0.81878%0.775SS**  trans-32.3160.6177.8-72.3-58.9000120.4
349G28Very low33.5Very low62 Ų62140.5 Ų140.564%0.63979%0.785SS**  cis153.7-175.7-2.700000114.5
350I27.5Very low33.6Very low172 Ų172137.6 Ų137.688%0.88278%0.78SS**  trans126.3137.4163.5-66.7169.1000116.1
351H37.4Very low32.3Very low172 Ų172139.8 Ų139.880%0.79679%0.792SS**  trans-126.6158177.8-81.4-75.9000108.8
352P40.1Very low32.4Very low123 Ų123140.9 Ų140.980%0.79979%0.793SS**  -154.9-179.26941-17.9000119.7
353Y30.1Very low33.2Very low211 Ų211139.5 Ų139.583%0.82778%0.781SS**  trans-60.2-175.5172.2-86.3-81.9000117
354P55.7Low33.4Very low114 Ų114138.4 Ų138.474%0.7478%0.78SS**  cis-135.6175.6-14.728.2-6.9000115.8
355A27.7Very low32.3Very low88 Ų88141.7 Ų141.773%0.72779%0.786SS**  173.7120.8120.400000116.6
356Q27.8Very low32.8Very low196 Ų196144.2 Ų144.292%0.91680%0.795SS**  trans65.4156.1142.8-58.9-176.412.700122.3
357S24.2Very low32.8Very low111 Ų111138.1 Ų138.178%0.77679%0.788SS**  trans-145.4-167.7-168.860.90000108.3
358P44Very low33Very low112 Ų112143.4 Ų143.473%0.72780%0.797SS**  cis-135.5169.8-5.641.9-25.7000116.1
359T28.9Very low33.1Very low149 Ų149140.4 Ų140.491%0.91479%0.793SS**  trans-140.1146.1153.7-44.80000111.4
360V28.7Very low33.2Very low129 Ų129141 Ų14178%0.78280%0.8SS**  trans-77139.9-169.8178.10000114.4
361T28.6Very low33.6Very low139 Ų139139.7 Ų139.785%0.85380%0.799SS**  178.1136129.932.20000113
362D29.4Very low33.4Very low151 Ų151138.9 Ų138.981%0.80780%0.796SS**  trans-173.5171.7162.1-162.3-128.7000109.1
363P44.2Very low33.1Very low93 Ų93142.1 Ų142.160%0.60480%0.8SS**  -111.4165.1-51.933-23.1000112.9
364L30.6Very low33.1Very low160 Ų160142.5 Ų142.584%0.83880%0.801SS**  159111.3128.6-91.5160.5000112.2
365Q33.9Very low31.8Very low173 Ų173141.7 Ų141.781%0.80880%0.804SS**  -167.8113.7127-16760.831.900109.7
366Q37.3Very low32Very low192 Ų192142.3 Ų142.390%0.89781%0.81SS**  trans-140.692.4179.6-168.7177.36.200110.6
367A30.4Very low32Very low84 Ų84137.6 Ų137.669%0.69480%0.804SS**  trans-154.7143.9173.100000111.9
368Y30.9Very low32.4Very low228 Ų228142.9 Ų142.989%0.89481%0.809SS**  trans-15.3134.2173.1-89.1-124.6000118.5
369A30.8Very low32.3Very low89 Ų89143.5 Ų143.574%0.73681%0.813SS**  cis93.2130.337.300000115
370G30Very low32.6Very low75 Ų75140.6 Ų140.677%0.77380%0.804SS**  trans99.1139.3-168.600000111.6
371V34.8Very low32.8Very low144 Ų144139.4 Ų139.487%0.87381%0.807SS**  cis-136.9152.77173.90000109.7
372Q33.6Very low33Very low155 Ų155144 Ų14472%0.72481%0.811SS**  trans-66.8148.6-179-62.5-168.13.200113.9
373H32.6Very low33.2Very low191 Ų191141.4 Ų141.488%0.88481%0.81SS**  trans-131.6145.2148.3-89.444.1000108.6
374Y31.2Very low32.9Very low219 Ų219142.7 Ų142.786%0.85982%0.819SS**  trans-82.4157.7-171.8-123.4-106.5000112.9
375A29.2Very low32.9Very low97 Ų97143 Ų14380%0.80282%0.819SS**  trans-136.6127.4178.500000112.9
376A30.5Very low33.1Very low102 Ų102140.6 Ų140.684%0.84382%0.822SS**  trans178.9145.4165.600000108.3
377A28.9Very low32.9Very low97 Ų97140.6 Ų140.680%0.80282%0.821SS**  cis-156.1163.7-11.200000110.9
378Y32.1Very low33.1Very low222 Ų222141 Ų14187%0.87183%0.825SS**  trans-97.1157.6167.3-84-79.2000109.5
379P42.8Very low33.2Very low124 Ų124139.5 Ų139.581%0.80582%0.824SS**  -128.515560.423.5-1.5000114.3
380A34.8Very low33.3Very low88 Ų88141.3 Ų141.373%0.72783%0.828SS**  cis85.1107.53400000115
381A32.1Very low33.5Very low104 Ų104146.1 Ų146.186%0.8683%0.83SS**  trans-143.3152168.500000109.6
382Y33.4Very low33.4Very low237 Ų237147.6 Ų147.693%0.92983%0.828SS**  trans-92139.1-162.8-92.8-116000115.5
383A34.2Very low33.3Very low95 Ų95146 Ų14679%0.78583%0.831SS**  trans-168.8135.5135.600000110.9
384P35.9Very low33.2Very low121 Ų121142.4 Ų142.479%0.78682%0.822SS**  trans-103128.7178.535.6-29.7000113.6
385I32.3Very low33.3Very low166 Ų166139.5 Ų139.585%0.85182%0.82SS**  trans-134.4135.3159.1-65.5-176.5000108.3Q387I385-Q387 PolarHBondContact O-N 2.91Å
386S37Very low33.5Very low123 Ų123141.3 Ų141.386%0.8681%0.814SS**PPolyproline II helixtrans-61.4121-172.7-50.90000113.2
387Q33.8Very low33.8Very low191 Ų191141.4 Ų141.489%0.89381%0.807SS**PPolyproline II helixtrans-101.6128.7164.9-71.1-165.4-27.400110.5I385I385-Q387 PolarHBondContact O-N 2.91Å
388A34.1Very low34.3Very low93 Ų93145.4 Ų145.477%0.76981%0.809SS**PPolyproline II helixtrans-70.7148.8166.200000110
389F33.7Very low34.9Very low197 Ų197143.7 Ų143.786%0.86481%0.809SS**PPolyproline II helixtrans-55.2129.8179.1-68.2-95.9000111.6Q391F389-Q391 PolarHBondContact O-N 3.18Å; F389-Q391 VanDerWaalsContact O-N 3.09Å
390P33.3Very low35.6Very low127 Ų127140.3 Ų140.383%0.82578%0.782SS**  trans-65.5111.5163.927.9-31.8000108Q392P390-Q392 PolarHBondContact O-N 2.84Å
391Q33.3Very low37.3Very low176 Ų176145.5 Ų145.582%0.82278%0.783SS**  trans-61.1135174.3-73.4-171.4-14.500109.7F389F389-Q391 PolarHBondContact O-N 3.18Å; F389-Q391 VanDerWaalsContact O-N 3.09Å
392Q32.9Very low39.6Very low175 Ų175144.7 Ų144.782%0.81876%0.761SS**  trans-56.1138.2167.6-67174.2-22.500108.8P390 T394P390-Q392 PolarHBondContact O-N 2.84Å; Q392-T394 PolarHBondContact O-N 3.05Å
393P31.1Very low41.8Very low122 Ų122134 Ų13479%0.79272%0.724SS**  trans-62.8110.6179.225.3-33.3000109.7I395P393-I395 PolarHBondContact O-N 3.27Å
394T30.2Very low44.1Very low114 Ų114132.5 Ų132.570%0.69971%0.705SS**  trans-50.9122.6175.9-57.80000109.5Q392 I396Q392-T394 PolarHBondContact O-N 3.05Å; T394-I396 PolarHBondContact O-N 3.38Å
395I34.4Very low46.3Very low158 Ų158134.6 Ų134.681%0.8171%0.705SS**  trans-7086176.6-55.5176.5000108.2P393 P397P393-I395 PolarHBondContact O-N 3.27Å; I395-P397 WeakPolarHBondContact O-CD 3.36Å
396I33.3Very low48.9Very low135 Ų135128.2 Ų128.269%0.69268%0.68SS**  trans-58.6121.7162.1-54.4174.1000105.4T394 Q398T394-I396 PolarHBondContact O-N 3.38Å; I396-Q398 PolarHBondContact O-N 3.45Å
397P36.7Very low51.5Low105 Ų105122.4 Ų122.468%0.68264%0.639SS**  trans-61.1113174.625.2-32.4000107.3I395 Q399I395-P397 WeakPolarHBondContact O-CD 3.36Å; P397-Q399 PolarHBondContact O-N 2.89Å; P397-Q399 VanDerWaalsContact O-N 3.11Å
398Q38.3Very low54.4Low180 Ų180114.2 Ų114.284%0.84160%0.601SS**  trans-48.9124.1179.8-73.8-178-12.100108.5I396 Q400I396-Q398 PolarHBondContact O-N 3.45Å; Q398-Q400 PolarHBondContact O-N 2.71Å
399Q45.7Very low57.3Low186 Ų186109.8 Ų109.887%0.86957%0.565SS**  trans-62.4105.8173.1-73.3-173.53.100106.9P397 R401P397-Q399 PolarHBondContact O-N 2.89Å; P397-Q399 VanDerWaalsContact O-N 3.11Å; Q399-R401 PolarHBondContact O-N 3.26Å
400Q58.2Low60.2Low54 Ų54102.4 Ų102.425%0.25253%0.532SS..  trans-58114.4-173.9-166.1173.8-25.600107.4Q398 E402Q398-Q400 PolarHBondContact O-N 2.71Å; Q400-E402 VanDerWaalsContact C-N 3.33Å; Q400-E402 WeakPolarHBondContact O-CG 3.27Å; Q400-E402 PolarHBondContact O-N 3.39Å
401R69.5Low63.2Low197 Ų19796.3 Ų96.374%0.74349%0.493SS*.  trans-69.596-177.3-75.8-177172.8170.8-2.8108.1Q399 I434 S435Q399-R401 PolarHBondContact O-N 3.26Å; R401-I434 HydrophobicContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact O-CG2 3.24Å; R401-I434 WeakPolarHBondContact O-CG2 3.25Å; R401-S435 PolarHBondContact O-OG 3.25Å
402E79.9Confident66.1Low87 Ų8791.7 Ų91.741%0.40747%0.469SS..  trans-77.2142171.7-51.7-145.3113.400108.7Q400 K483Q400-E402 VanDerWaalsContact C-N 3.33Å; Q400-E402 WeakPolarHBondContact O-CG 3.27Å; Q400-E402 PolarHBondContact O-N 3.39Å; E402-K483 IonicContact OE1-NZ 3.19Å; E402-K483 PolarHBondContact OE1-NZ 3.24Å; E402-K483 IonicContact OE2-NZ 2.69Å; E402-K483 PolarHBondContact OE2-NZ 3.1Å
403G79.6Confident69Low13 Ų1387.4 Ų87.413%0.13445%0.449CS..  trans-74.7-177175.500000111.8N408 F455G403-N408 PolarHBondContact N-OD1 2.6Å; G403-N408 PolarHBondContact O-ND2 3.24Å; G403-F455 WeakPolarHBondContact CA-O 3.4Å
404P83.1Confident72Confident62 Ų6281.6 Ų81.640%0.40341%0.411SS..SBendtrans-57.3166.6172.9-17.227.4000112.7C407 N408P404-C407 VanDerWaalsContact CB-SG 3.59Å; P404-C407 WeakPolarHBondContact O-CB 3.33Å; P404-C407 PolarHBondContact O-N 3.2Å; P404-C407 PolarHBondContact O-SG 3Å; P404-N408 PolarHBondContact O-ND2 2.69Å
405E82.6Confident74.8Confident166 Ų16677.1 Ų77.178%0.77638%0.384SS*.THydrogen-bonded Turntrans-58144.6171.9-64.3-170.8177.200110.7C407E405-C407 PolarHBondContact O-N 2.82Å; E405-C407 PolarHBondContact O-SG 2.95Å
406G85.7Confident77.3Confident32 Ų3274.6 Ų74.633%0.3337%0.369SS..THydrogen-bonded Turntrans72.9-6.7-170.300000115.8A461 L482G406-A461 WeakPolarHBondContact O-CB 3.35Å; G406-L482 WeakPolarHBondContact O-CD2 3.3Å
407C92.1Very high79.9Confident0 Ų075.5 Ų75.50%037%0.37CS..  trans-100.3-10.7-179-47.40000113.5P404 E405 F455 P458P404-C407 VanDerWaalsContact CB-SG 3.59Å; P404-C407 WeakPolarHBondContact O-CB 3.33Å; P404-C407 PolarHBondContact O-N 3.2Å; P404-C407 PolarHBondContact O-SG 3Å; E405-C407 PolarHBondContact O-N 2.82Å; E405-C407 PolarHBondContact O-SG 2.95Å; C407-F455 VanDerWaalsContact CB-O 3.3Å; C407-F455 WeakPolarHBondContact CB-O 3.32Å; C407-F455 PolarHBondContact O-N 3.31Å; C407-P458 VanDerWaalsContact SG-CA 3.59Å; C407-P458 VanDerWaalsContact SG-CD 3.56Å
408N93.9Very high82.3Confident19 Ų1972.6 Ų72.610%0.10235%0.346CS..EExtended strand (participates in β ladder)trans-96.3124.7-177.7-62.1-63.3000110.7G403 P404 S454 K483G403-N408 PolarHBondContact N-OD1 2.6Å; G403-N408 PolarHBondContact O-ND2 3.24Å; P404-N408 PolarHBondContact O-ND2 2.69Å; N408-S454 VanDerWaalsContact OD1-CB 3.24Å; N408-S454 WeakPolarHBondContact OD1-CB 3.27Å; N408-S454 PolarHBondContact OD1-OG 3.48Å; N408-K483 HydrophobicContact CB-CB 3.93Å; N408-K483 HydrophobicContact CB-CD 4.18Å; N408-K483 WeakPolarHBondContact O-CB 3.04Å; N408-K483 PolarHBondContact O-N 2.95Å
409L95.6Very high84.8Confident0 Ų065.1 Ų65.10%032%0.318CS..EExtended strand (participates in β ladder)trans-105.7149.9178.9-57.8-171.8000111.7I411 F427 F452 V453 F455 A461 A464 I465 V480 Q481 L482L409-I411 HydrophobicContact CB-CD1 3.96Å; L409-F427 HydrophobicContact CD1-CD1 4.27Å; L409-F427 HydrophobicContact CD1-CE1 3.9Å; L409-F452 VanDerWaalsContact O-CA 3.27Å; L409-F452 WeakPolarHBondContact O-CA 3.14Å; L409-F452 WeakPolarHBondContact O-CD1 3.44Å; L409-V453 HydrophobicContact CB-CB 4.49Å; L409-V453 WeakPolarHBondContact CB-O 3.3Å; L409-V453 PolarHBondContact N-O 3.2Å; L409-V453 PolarHBondContact O-N 3.01Å; L409-V453 VanDerWaalsContact O-N 3.15Å; L409-F455 HydrophobicContact CD1-CD2 4.22Å; L409-F455 HydrophobicContact CD1-CE2 3.73Å; L409-F455 HydrophobicContact CG-CD2 4.44Å; L409-F455 HydrophobicContact CG-CE2 4.41Å; L409-A461 HydrophobicContact CD2-CB 3.96Å; L409-A461 HydrophobicContact CG-CB 4.33Å; L409-A464 HydrophobicContact CD1-CB 3.78Å; L409-I465 HydrophobicContact CD1-CG1 4.45Å; L409-I465 HydrophobicContact CD2-CD1 3.58Å; L409-I465 HydrophobicContact CD2-CG1 3.66Å; L409-V480 HydrophobicContact CD1-CG1 3.81Å; L409-Q481 CarbonylContact C-O 3.51Å; L409-Q481 WeakPolarHBondContact CA-O 3.44Å; L409-L482 HydrophobicContact CD2-CD2 4Å
410F95.9Very high87.1Confident42 Ų4260 Ų6018%0.18430%0.297CS..EExtended strand (participates in β ladder)trans-118.6127.6167.5-166.8-150.5000109.2Y412 F450 G451 F452 Q481F410-Y412 HydrophobicContact CD1-CE1 4.32Å; F410-Y412 AromaticContact CD1-CE2 3.64Å; F410-Y412 HydrophobicContact CD1-CE2 3.64Å; F410-Y412 AromaticContact CD1-CZ 3.55Å; F410-Y412 WeakPolarHBondContact CD1-OH 3.49Å; F410-Y412 AromaticContact CE1-CE1 3.72Å; F410-Y412 HydrophobicContact CE1-CE1 3.72Å; F410-Y412 AromaticContact CE1-CE2 3.9Å; F410-Y412 HydrophobicContact CE1-CE2 3.9Å; F410-Y412 AromaticContact CE1-CZ 3.32Å; F410-Y412 WeakPolarHBondContact CE1-OH 3.41Å; F410-Y412 HydrophobicContact CG-CE2 4.33Å; F410-Y412 HydrophobicContact CZ-CE1 4.12Å; F410-F450 HydrophobicContact CE2-CB 4.49Å; F410-F450 AromaticContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CE2 4.06Å; F410-F450 HydrophobicContact CE2-CG 4.31Å; F410-F450 AromaticContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CE2 4.26Å; F410-F450 HydrophobicContact CZ-CG 4.49Å; F410-G451 WeakPolarHBondContact CD2-O 3.38Å; F410-F452 HydrophobicContact CB-CD1 4.04Å; F410-F452 HydrophobicContact CB-CE1 3.94Å; F410-F452 HydrophobicContact CD1-CE1 4.38Å; F410-F452 AromaticContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD2 4.09Å; F410-F452 AromaticContact CD2-CE1 3.18Å; F410-F452 HydrophobicContact CD2-CE1 3.18Å; F410-F452 AromaticContact CD2-CE2 3.8Å; F410-F452 HydrophobicContact CD2-CE2 3.8Å; F410-F452 AromaticContact CD2-CG 3.98Å; F410-F452 HydrophobicContact CD2-CG 3.98Å; F410-F452 AromaticContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CE2-CD1 4.28Å; F410-F452 HydrophobicContact CE2-CD2 4.17Å; F410-F452 AromaticContact CE2-CE1 3.66Å; F410-F452 HydrophobicContact CE2-CE1 3.66Å; F410-F452 AromaticContact CE2-CE2 3.54Å; F410-F452 HydrophobicContact CE2-CE2 3.54Å; F410-F452 AromaticContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CG-CD1 4.07Å; F410-F452 AromaticContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CZ 4.09Å; F410-F452 HydrophobicContact CZ-CE1 4.43Å; F410-F452 HydrophobicContact CZ-CE2 4.46Å; F410-F452 AromaticContact CZ-CZ 3.93Å; F410-F452 HydrophobicContact CZ-CZ 3.93Å; F410-Q481 PolarHBondContact N-O 2.76Å; F410-Q481 PolarHBondContact O-N 3.27Å
411I95.8Very high88.7Confident0 Ų060.1 Ų60.10%031%0.306CS..EExtended strand (participates in β ladder)trans-120.4124-171.5-53.883.6000108.8L409 L414 F427 F450 G451 V453 L478 K479 V480L409-I411 HydrophobicContact CB-CD1 3.96Å; I411-L414 HydrophobicContact CB-CD2 4.46Å; I411-L414 HydrophobicContact CG2-CD2 3.6Å; I411-L414 HydrophobicContact CG2-CG 4.09Å; I411-F427 HydrophobicContact CD1-CZ 4.36Å; I411-F427 HydrophobicContact CG1-CE2 3.96Å; I411-F427 HydrophobicContact CG1-CZ 3.66Å; I411-F450 CarbonylContact O-C 3.59Å; I411-F450 WeakPolarHBondContact O-CA 3.37Å; I411-F450 WeakPolarHBondContact O-CB 3.32Å; I411-G451 PolarHBondContact N-O 3.05Å; I411-G451 PolarHBondContact O-N 3.05Å; I411-V453 HydrophobicContact CD1-CB 3.92Å; I411-V453 HydrophobicContact CD1-CG2 3.71Å; I411-L478 HydrophobicContact CG2-CD2 4.33Å; I411-K479 WeakPolarHBondContact CA-O 3.3Å; I411-V480 HydrophobicContact CG1-CG1 4.35Å; I411-V480 HydrophobicContact CG1-CG2 4.26Å; I411-V480 HydrophobicContact CG2-CG2 4.12Å
412Y94.5Very high89.8Confident78 Ų7854.9 Ų54.931%0.30629%0.291SS..EExtended strand (participates in β ladder)trans-111.3161.5172.8-52.3-105.2000111.5F410 L414 C449 F450 K479F410-Y412 HydrophobicContact CD1-CE1 4.32Å; F410-Y412 AromaticContact CD1-CE2 3.64Å; F410-Y412 HydrophobicContact CD1-CE2 3.64Å; F410-Y412 AromaticContact CD1-CZ 3.55Å; F410-Y412 WeakPolarHBondContact CD1-OH 3.49Å; F410-Y412 AromaticContact CE1-CE1 3.72Å; F410-Y412 HydrophobicContact CE1-CE1 3.72Å; F410-Y412 AromaticContact CE1-CE2 3.9Å; F410-Y412 HydrophobicContact CE1-CE2 3.9Å; F410-Y412 AromaticContact CE1-CZ 3.32Å; F410-Y412 WeakPolarHBondContact CE1-OH 3.41Å; F410-Y412 HydrophobicContact CG-CE2 4.33Å; F410-Y412 HydrophobicContact CZ-CE1 4.12Å; Y412-L414 VanDerWaalsContact C-N 3.32Å; Y412-C449 CarbonylContact C-O 3.58Å; Y412-F450 HydrophobicContact CD1-CB 4.49Å; Y412-K479 HydrophobicContact CD2-CB 4.32Å; Y412-K479 HydrophobicContact CD2-CD 4.03Å; Y412-K479 HydrophobicContact CD2-CG 4.14Å; Y412-K479 HydrophobicContact CE2-CD 4.41Å; Y412-K479 PolarHBondContact N-O 3.04Å; Y412-K479 PolarHBondContact O-N 2.97Å; Y412-K479 VanDerWaalsContact O-N 3.07Å
413H93.1Very high90.5Very high86 Ų8650.8 Ų50.840%0.39827%0.271SS..SBendtrans65.830178.3-43.1149.2000114.1C449 K476 R477H413-C449 WeakPolarHBondContact CA-O 3.46Å; H413-C449 PolarHBondContact N-O 3.19Å; H413-K476 HydrophobicContact CB-CB 4.22Å; H413-K476 HydrophobicContact CB-CD 4.3Å; H413-R477 WeakPolarHBondContact CB-O 3.47Å; H413-R477 PolarHBondContact ND1-O 2.84Å
414L93.3Very high91.2Very high0 Ų054 Ų540%028%0.284CS..  trans-55.8149.3165.8-62.6177.1000109.9I411 Y412 L423 M426 V438 C449 L478I411-L414 HydrophobicContact CB-CD2 4.46Å; I411-L414 HydrophobicContact CG2-CD2 3.6Å; I411-L414 HydrophobicContact CG2-CG 4.09Å; Y412-L414 VanDerWaalsContact C-N 3.32Å; L414-L423 HydrophobicContact CD1-CD1 4.13Å; L414-L423 HydrophobicContact CD1-CD2 4.17Å; L414-L423 HydrophobicContact CD2-CD1 3.8Å; L414-M426 HydrophobicContact CD2-CE 4.2Å; L414-V438 HydrophobicContact CD1-CG1 4.37Å; L414-V438 HydrophobicContact CD1-CG2 3.81Å; L414-C449 PolarHBondContact N-O 3.3Å; L414-C449 VanDerWaalsContact O-CB 3.28Å; L414-C449 WeakPolarHBondContact O-CB 3.15Å; L414-L478 HydrophobicContact CD2-CD2 3.91Å
415P89.2Confident91.7Very high20 Ų2058 Ų5813%0.1330%0.297CS..  trans-56158.1165.8-22.234.4000111.4E417 F418 I473P415-E417 VanDerWaalsContact C-N 3.28Å; P415-E417 VanDerWaalsContact CB-CD 3.5Å; P415-E417 HydrophobicContact CB-CG 4Å; P415-E417 WeakPolarHBondContact CB-OE2 3.35Å; P415-F418 HydrophobicContact CB-CB 4.47Å; P415-F418 HydrophobicContact CB-CD2 3.7Å; P415-F418 HydrophobicContact CB-CE2 4.28Å; P415-F418 HydrophobicContact CB-CG 4.27Å; P415-F418 HydrophobicContact CG-CD2 3.57Å; P415-F418 HydrophobicContact CG-CE2 3.77Å; P415-F418 HydrophobicContact CG-CG 4.06Å; P415-F418 HydrophobicContact CG-CZ 4.41Å; P415-F418 PolarHBondContact O-N 3.42Å; P415-I473 HydrophobicContact CG-CD1 3.52Å; P415-I473 HydrophobicContact CG-CG1 3.73Å; P415-I473 HydrophobicContact CG-CG2 4.04Å
416Q86.9Confident92.3Very high105 Ų10551.7 Ų51.749%0.49127%0.268SS..THydrogen-bonded Turntrans-75.4-25.7-177.8-174.7170.9-2900111.7S447Q416-S447 WeakPolarHBondContact O-CB 3.38Å
417E88.3Confident92.7Very high154 Ų15450.1 Ų50.172%0.7225%0.252SS*.THydrogen-bonded Turntrans-82.9-6.3176.261.5-91.1-126.100114.3P415P415-E417 VanDerWaalsContact C-N 3.28Å; P415-E417 VanDerWaalsContact CB-CD 3.5Å; P415-E417 HydrophobicContact CB-CG 4Å; P415-E417 WeakPolarHBondContact CB-OE2 3.35Å
418F88Confident92.8Very high43 Ų4354.1 Ų54.119%0.18927%0.273CS..  trans-81.6124.9176.7-94.7-131.3000111.3P415 E422 M426 I473P415-F418 HydrophobicContact CB-CB 4.47Å; P415-F418 HydrophobicContact CB-CD2 3.7Å; P415-F418 HydrophobicContact CB-CE2 4.28Å; P415-F418 HydrophobicContact CB-CG 4.27Å; P415-F418 HydrophobicContact CG-CD2 3.57Å; P415-F418 HydrophobicContact CG-CE2 3.77Å; P415-F418 HydrophobicContact CG-CG 4.06Å; P415-F418 HydrophobicContact CG-CZ 4.41Å; P415-F418 PolarHBondContact O-N 3.42Å; F418-E422 HydrophobicContact CD1-CB 3.87Å; F418-E422 HydrophobicContact CD2-CB 4.38Å; F418-E422 HydrophobicContact CE1-CB 4.11Å; F418-E422 HydrophobicContact CG-CB 4.02Å; F418-E422 HydrophobicContact CZ-CB 4.48Å; F418-M426 HydrophobicContact CD1-CE 4.49Å; F418-M426 HydrophobicContact CE1-CB 4.47Å; F418-M426 HydrophobicContact CE1-CE 3.98Å; F418-M426 HydrophobicContact CE1-SD 3.73Å; F418-M426 HydrophobicContact CZ-SD 4.3Å; F418-I473 HydrophobicContact CE1-CD1 4.25Å; F418-I473 HydrophobicContact CE2-CD1 4.01Å; F418-I473 HydrophobicContact CZ-CD1 3.65Å
419G90.9Very high92.9Very high24 Ų2458.2 Ų58.225%0.24730%0.301CS..  trans-105.5-168.2169.100000113A421 E422 L423 V438G419-A421 VanDerWaalsContact C-N 3.3Å; G419-A421 PolarHBondContact O-N 2.81Å; G419-E422 VanDerWaalsContact C-OE2 3.25Å; G419-E422 WeakPolarHBondContact CA-OE2 3.38Å; G419-E422 PolarHBondContact N-OE2 2.85Å; G419-L423 VanDerWaalsContact O-CB 3.31Å; G419-L423 WeakPolarHBondContact O-CB 3.41Å; G419-L423 PolarHBondContact O-N 2.84Å; G419-V438 VanDerWaalsContact C-CG2 3.45Å; G419-V438 WeakPolarHBondContact O-CG2 3.31Å
420D93.1Very high92.8Very high79 Ų7960.6 Ų60.642%0.42231%0.311SS..Hα-helixtrans-62.3-36.1-176.2-66.2-0.6000112.3M424 K437 V438D420-M424 WeakPolarHBondContact O-CB 3.48Å; D420-M424 PolarHBondContact O-N 2.87Å; D420-K437 WeakPolarHBondContact OD1-CA 3.31Å; D420-V438 PolarHBondContact OD1-N 3.18Å
421A91.8Very high92.6Very high55 Ų5559.5 Ų59.546%0.45531%0.312SS..Hα-helixtrans-73.7-44.1-177.900000112G419 L423 M424 Q425G419-A421 VanDerWaalsContact C-N 3.3Å; G419-A421 PolarHBondContact O-N 2.81Å; A421-L423 VanDerWaalsContact C-N 3.35Å; A421-M424 WeakPolarHBondContact O-CB 3.38Å; A421-M424 PolarHBondContact O-N 2.87Å; A421-Q425 WeakPolarHBondContact O-CB 3.23Å; A421-Q425 PolarHBondContact O-N 3.34Å
422E93.6Very high92.5Very high88 Ų8864 Ų6441%0.41134%0.336SS..Hα-helixtrans-66.8-40.6178.5-60.365.8-138.700110.1F418 G419 Q425 M426F418-E422 HydrophobicContact CD1-CB 3.87Å; F418-E422 HydrophobicContact CD2-CB 4.38Å; F418-E422 HydrophobicContact CE1-CB 4.11Å; F418-E422 HydrophobicContact CG-CB 4.02Å; F418-E422 HydrophobicContact CZ-CB 4.48Å; G419-E422 VanDerWaalsContact C-OE2 3.25Å; G419-E422 WeakPolarHBondContact CA-OE2 3.38Å; G419-E422 PolarHBondContact N-OE2 2.85Å; E422-Q425 PolarHBondContact O-N 3Å; E422-M426 VanDerWaalsContact O-CB 3.31Å; E422-M426 WeakPolarHBondContact O-CB 3.18Å; E422-M426 PolarHBondContact O-N 3.03Å
423L94.6Very high92.5Very high0 Ų060.9 Ų60.90%033%0.325CS..Hα-helixtrans-62.4-42.1172.6-17961.8000111.8L414 G419 A421 M426 F427 A436 V438 V453L414-L423 HydrophobicContact CD1-CD1 4.13Å; L414-L423 HydrophobicContact CD1-CD2 4.17Å; L414-L423 HydrophobicContact CD2-CD1 3.8Å; G419-L423 VanDerWaalsContact O-CB 3.31Å; G419-L423 WeakPolarHBondContact O-CB 3.41Å; G419-L423 PolarHBondContact O-N 2.84Å; A421-L423 VanDerWaalsContact C-N 3.35Å; L423-M426 HydrophobicContact CD1-CE 4.28Å; L423-F427 HydrophobicContact CD1-CD2 3.9Å; L423-F427 HydrophobicContact CD1-CE2 3.75Å; L423-F427 WeakPolarHBondContact O-CD2 3.02Å; L423-A436 HydrophobicContact CB-CB 4.41Å; L423-A436 HydrophobicContact CD2-CB 4.29Å; L423-A436 HydrophobicContact CG-CB 4.13Å; L423-V438 HydrophobicContact CB-CG2 4.02Å; L423-V438 HydrophobicContact CD2-CG2 3.79Å; L423-V453 HydrophobicContact CD1-CG2 3.86Å; L423-V453 HydrophobicContact CD2-CG2 3.99Å; L423-V453 HydrophobicContact CG-CG2 3.66Å
424M94.3Very high92.4Very high80 Ų8060 Ų6039%0.39432%0.323SS..Hα-helixtrans-62.6-52.9175-172.4169.36400111D420 A421 M426 F427 L428 V433 A436D420-M424 WeakPolarHBondContact O-CB 3.48Å; D420-M424 PolarHBondContact O-N 2.87Å; A421-M424 WeakPolarHBondContact O-CB 3.38Å; A421-M424 PolarHBondContact O-N 2.87Å; M424-M426 VanDerWaalsContact C-N 3.29Å; M424-M426 PolarHBondContact O-N 3.34Å; M424-F427 PolarHBondContact O-N 3.39Å; M424-L428 HydrophobicContact CG-CG 4.44Å; M424-L428 WeakPolarHBondContact O-CG 3.31Å; M424-L428 PolarHBondContact O-N 2.74Å; M424-V433 HydrophobicContact CG-CB 4.24Å; M424-V433 HydrophobicContact CG-CG1 3.99Å; M424-A436 HydrophobicContact CB-CB 3.73Å; M424-A436 HydrophobicContact CG-CB 4.4Å
425Q93.3Very high92.4Very high146 Ų14660.9 Ų60.968%0.68233%0.329SS*.Hα-helixtrans-61.1-36.3-175.9-175.8172.9-16.600112.6A421 E422 F427A421-Q425 WeakPolarHBondContact O-CB 3.23Å; A421-Q425 PolarHBondContact O-N 3.34Å; E422-Q425 PolarHBondContact O-N 3Å; Q425-F427 VanDerWaalsContact C-N 3.25Å; Q425-F427 PolarHBondContact O-N 2.78Å
426M93.7Very high92.6Very high34 Ų3460.7 Ų60.717%0.16733%0.329CS..Hα-helixtrans-65.9-24.8175.5-174.2172.26900113.4L414 F418 E422 L423 M424 M468 I473 L478L414-M426 HydrophobicContact CD2-CE 4.2Å; F418-M426 HydrophobicContact CD1-CE 4.49Å; F418-M426 HydrophobicContact CE1-CB 4.47Å; F418-M426 HydrophobicContact CE1-CE 3.98Å; F418-M426 HydrophobicContact CE1-SD 3.73Å; F418-M426 HydrophobicContact CZ-SD 4.3Å; E422-M426 VanDerWaalsContact O-CB 3.31Å; E422-M426 WeakPolarHBondContact O-CB 3.18Å; E422-M426 PolarHBondContact O-N 3.03Å; L423-M426 HydrophobicContact CD1-CE 4.28Å; M424-M426 VanDerWaalsContact C-N 3.29Å; M424-M426 PolarHBondContact O-N 3.34Å; M426-M468 HydrophobicContact CE-CE 4.2Å; M426-M468 HydrophobicContact CG-CE 3.65Å; M426-M468 HydrophobicContact SD-CE 3.69Å; M426-I473 HydrophobicContact SD-CD1 4.45Å; M426-L478 HydrophobicContact CE-CD1 3.62Å; M426-L478 HydrophobicContact SD-CD1 4.02Å
427F95.1Very high93Very high0 Ų059.3 Ų59.30%032%0.321CS..Hα-helixtrans-103.6-15.6-177.3-83.9-91.7000114.9L409 I411 L423 M424 Q425 P429 F430 V433 V453 F455 A464 M468 V480L409-F427 HydrophobicContact CD1-CD1 4.27Å; L409-F427 HydrophobicContact CD1-CE1 3.9Å; I411-F427 HydrophobicContact CD1-CZ 4.36Å; I411-F427 HydrophobicContact CG1-CE2 3.96Å; I411-F427 HydrophobicContact CG1-CZ 3.66Å; L423-F427 HydrophobicContact CD1-CD2 3.9Å; L423-F427 HydrophobicContact CD1-CE2 3.75Å; L423-F427 WeakPolarHBondContact O-CD2 3.02Å; M424-F427 PolarHBondContact O-N 3.39Å; Q425-F427 VanDerWaalsContact C-N 3.25Å; Q425-F427 PolarHBondContact O-N 2.78Å; F427-P429 VanDerWaalsContact C-N 3.32Å; F427-F430 HydrophobicContact CD1-CD2 4.24Å; F427-F430 WeakPolarHBondContact O-CD2 3.44Å; F427-F430 PolarHBondContact O-N 2.82Å; F427-V433 HydrophobicContact CB-CG2 4.21Å; F427-V453 HydrophobicContact CB-CG1 3.91Å; F427-V453 HydrophobicContact CB-CG2 4.37Å; F427-V453 HydrophobicContact CD1-CG1 4.34Å; F427-V453 HydrophobicContact CD2-CG2 3.87Å; F427-V453 HydrophobicContact CE2-CG2 4.28Å; F427-V453 HydrophobicContact CG-CB 4.45Å; F427-V453 HydrophobicContact CG-CG1 4.1Å; F427-V453 HydrophobicContact CG-CG2 4.04Å; F427-F455 HydrophobicContact CB-CZ 4Å; F427-F455 HydrophobicContact CD1-CE2 4.1Å; F427-F455 HydrophobicContact CD1-CZ 4.01Å; F427-F455 WeakPolarHBondContact O-CZ 3.5Å; F427-A464 HydrophobicContact CD1-CB 3.82Å; F427-A464 HydrophobicContact CE1-CB 3.94Å; F427-M468 HydrophobicContact CE1-CB 4.2Å; F427-M468 HydrophobicContact CE1-CG 4.11Å; F427-M468 HydrophobicContact CZ-CB 4.15Å; F427-M468 HydrophobicContact CZ-CG 4.3Å; F427-V480 HydrophobicContact CE1-CG1 4.11Å; F427-V480 HydrophobicContact CZ-CG1 4.21Å; F427-V480 HydrophobicContact CZ-CG2 4Å
428L94.4Very high93.3Very high84 Ų8452.2 Ų52.244%0.4429%0.288SS..G310 helixtrans-50.6-36.2173.8-75.8176.5000115.4M424 F430 G431 V433M424-L428 HydrophobicContact CG-CG 4.44Å; M424-L428 WeakPolarHBondContact O-CG 3.31Å; M424-L428 PolarHBondContact O-N 2.74Å; L428-F430 PolarHBondContact O-N 2.83Å; L428-F430 VanDerWaalsContact O-N 3.08Å; L428-G431 PolarHBondContact O-N 2.64Å; L428-G431 VanDerWaalsContact O-N 3.12Å; L428-G431 VanDerWaalsContact O-O 3.1Å; L428-V433 HydrophobicContact CD2-CB 4.2Å; L428-V433 HydrophobicContact CD2-CG2 4.17Å
429P95.9Very high93.5Very high104 Ų10453.7 Ų53.768%0.67530%0.295SS*.G310 helixtrans-61.3-18.4180-26.836.8000115.1F427F427-P429 VanDerWaalsContact C-N 3.32Å
430F94.1Very high93.5Very high50 Ų5056.5 Ų56.522%0.21931%0.307CS..G310 helixtrans-94.7-12.9-179.7-49.4-67.2000112.9F427 L428 F455 S460 A464 A467 M468F427-F430 HydrophobicContact CD1-CD2 4.24Å; F427-F430 WeakPolarHBondContact O-CD2 3.44Å; F427-F430 PolarHBondContact O-N 2.82Å; L428-F430 PolarHBondContact O-N 2.83Å; L428-F430 VanDerWaalsContact O-N 3.08Å; F430-F455 HydrophobicContact CB-CE1 4.33Å; F430-F455 HydrophobicContact CB-CZ 4.1Å; F430-S460 WeakPolarHBondContact O-CA 3.42Å; F430-S460 WeakPolarHBondContact O-CB 3.29Å; F430-S460 PolarHBondContact O-OG 3.05Å; F430-A464 HydrophobicContact CB-CB 3.77Å; F430-A464 HydrophobicContact CD2-CB 3.87Å; F430-A464 HydrophobicContact CG-CB 3.83Å; F430-A467 HydrophobicContact CD1-CB 4.16Å; F430-A467 HydrophobicContact CE1-CB 3.34Å; F430-A467 HydrophobicContact CZ-CB 3.73Å; F430-M468 HydrophobicContact CD2-CG 4.26Å; F430-M468 HydrophobicContact CE2-CG 3.4Å; F430-M468 HydrophobicContact CE2-SD 3.66Å; F430-M468 HydrophobicContact CZ-CG 3.65Å; F430-M468 HydrophobicContact CZ-SD 3.57Å; F430-M468 VanDerWaalsContact CZ-SD 3.57Å
431G90.9Very high93.3Very high20 Ų2054.9 Ų54.921%0.20630%0.298CS..SBendtrans155.9-176.8177.900000114.8L428 V433 S460L428-G431 PolarHBondContact O-N 2.64Å; L428-G431 VanDerWaalsContact O-N 3.12Å; L428-G431 VanDerWaalsContact O-O 3.1Å; G431-V433 PolarHBondContact O-N 3.47Å; G431-S460 WeakPolarHBondContact CA-OG 3.37Å
432N92.9Very high93Very high93 Ų9363.4 Ų63.450%0.49732%0.319SS..  trans-72.4114.3179.2177.936.2000111.2F455 D456N432-F455 WeakPolarHBondContact O-CA 3.4Å; N432-D456 WeakPolarHBondContact CB-OD2 3.2Å; N432-D456 PolarHBondContact ND2-OD2 2.65Å; N432-D456 PolarHBondContact O-N 2.9Å; N432-D456 VanDerWaalsContact O-N 3.16Å
433V94.3Very high92.7Very high13 Ų1363.5 Ų63.58%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-89.1114.1179.7176.20000109.6M424 F427 L428 G431 S435 A436 V453 S454 F455M424-V433 HydrophobicContact CG-CB 4.24Å; M424-V433 HydrophobicContact CG-CG1 3.99Å; F427-V433 HydrophobicContact CB-CG2 4.21Å; L428-V433 HydrophobicContact CD2-CB 4.2Å; L428-V433 HydrophobicContact CD2-CG2 4.17Å; G431-V433 PolarHBondContact O-N 3.47Å; V433-S435 WeakPolarHBondContact CG1-O 3.21Å; V433-A436 HydrophobicContact CG1-CB 4.36Å; V433-V453 HydrophobicContact CG1-CG1 3.91Å; V433-V453 HydrophobicContact CG2-CG1 4.01Å; V433-S454 CarbonylContact C-O 3.54Å; V433-F455 HydrophobicContact CG2-CD1 4.06Å; V433-F455 HydrophobicContact CG2-CE1 3.61Å; V433-F455 HydrophobicContact CG2-CZ 4.07Å
434I91.9Very high92.4Very high68 Ų6867.1 Ų67.135%0.34936%0.357SS..EExtended strand (participates in β ladder)trans-71.1-39.9174.4-65.2-176.2000111.2R401 S454 D456R401-I434 HydrophobicContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact O-CG2 3.24Å; R401-I434 WeakPolarHBondContact O-CG2 3.25Å; I434-S454 PolarHBondContact N-O 2.86Å; I434-D456 HydrophobicContact CD1-CB 3.7Å; I434-D456 HydrophobicContact CG1-CB 3.87Å
435S92.4Very high91.9Very high18 Ų1869.5 Ų69.513%0.12637%0.371CS..EExtended strand (participates in β ladder)trans-156.2149.3172.767.40000112.2R401 V433 V453 S454R401-S435 PolarHBondContact O-OG 3.25Å; V433-S435 WeakPolarHBondContact CG1-O 3.21Å; S435-V453 CarbonylContact O-C 3.52Å; S435-V453 WeakPolarHBondContact O-CA 3.27Å; S435-S454 PolarHBondContact N-O 3.07Å; S435-S454 PolarHBondContact O-N 3.35Å; S435-S454 PolarHBondContact OG-OG 2.69Å
436A94.9Very high91.6Very high16 Ų1667.3 Ų67.313%0.13236%0.361CS..EExtended strand (participates in β ladder)trans-127.8148.1165.500000108.6L423 M424 V433 F452 V453L423-A436 HydrophobicContact CB-CB 4.41Å; L423-A436 HydrophobicContact CD2-CB 4.29Å; L423-A436 HydrophobicContact CG-CB 4.13Å; M424-A436 HydrophobicContact CB-CB 3.73Å; M424-A436 HydrophobicContact CG-CB 4.4Å; V433-A436 HydrophobicContact CG1-CB 4.36Å; A436-F452 CarbonylContact C-O 3.59Å; A436-F452 WeakPolarHBondContact CA-O 3.4Å; A436-V453 HydrophobicContact CB-CG2 4.12Å
437K94.5Very high91.4Very high76 Ų7666.4 Ų66.433%0.3336%0.358SS..EExtended strand (participates in β ladder)trans-157.2124.5175-168174.5-169.9166.90113.3D420 F439 G451 F452D420-K437 WeakPolarHBondContact OD1-CA 3.31Å; K437-F439 HydrophobicContact CD-CE2 4.12Å; K437-F439 HydrophobicContact CG-CE2 4.27Å; K437-G451 CarbonylContact O-C 3.45Å; K437-G451 WeakPolarHBondContact O-CA 3.4Å; K437-F452 PolarHBondContact N-O 3.48Å; K437-F452 PolarHBondContact O-N 3.49Å
438V94.1Very high91.2Very high6 Ų671.2 Ų71.24%0.03638%0.379CS..EExtended strand (participates in β ladder)trans-86.8141.2167.8-177.90000109.2L414 G419 D420 L423 S447L414-V438 HydrophobicContact CD1-CG1 4.37Å; L414-V438 HydrophobicContact CD1-CG2 3.81Å; G419-V438 VanDerWaalsContact C-CG2 3.45Å; G419-V438 WeakPolarHBondContact O-CG2 3.31Å; D420-V438 PolarHBondContact OD1-N 3.18Å; L423-V438 HydrophobicContact CB-CG2 4.02Å; L423-V438 HydrophobicContact CD2-CG2 3.79Å; V438-S447 WeakPolarHBondContact CG1-OG 3.44Å
439F91.9Very high91.1Very high74 Ų7468.5 Ų68.533%0.32537%0.366SS..EExtended strand (participates in β ladder)trans-95.9111.6176.7-84.8-116.5000109.5K437 K448 F450 F452K437-F439 HydrophobicContact CD-CE2 4.12Å; K437-F439 HydrophobicContact CG-CE2 4.27Å; F439-K448 WeakPolarHBondContact O-CB 3.48Å; F439-K448 WeakPolarHBondContact O-CG 3.32Å; F439-K448 PolarHBondContact O-N 3.08Å; F439-F450 HydrophobicContact CB-CD2 3.87Å; F439-F450 HydrophobicContact CB-CE1 4.4Å; F439-F450 HydrophobicContact CB-CE2 3.36Å; F439-F450 HydrophobicContact CB-CZ 3.66Å; F439-F450 AromaticContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CZ 4.24Å; F439-F450 HydrophobicContact CD2-CD2 4.41Å; F439-F450 HydrophobicContact CD2-CE2 4Å; F439-F450 HydrophobicContact CG-CD2 4.2Å; F439-F450 AromaticContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CE2 3.48Å; F439-F450 VanDerWaalsContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CZ 4.06Å; F439-F450 PolarHBondContact N-O 2.96Å; F439-F452 HydrophobicContact CD2-CD2 4.13Å; F439-F452 HydrophobicContact CD2-CE2 4.23Å; F439-F452 AromaticContact CE2-CD2 3.59Å; F439-F452 HydrophobicContact CE2-CD2 3.59Å; F439-F452 AromaticContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CZ-CD2 4.3Å; F439-F452 HydrophobicContact CZ-CE2 4.07Å
440V91.3Very high91Very high83 Ų8366 Ų6650%0.50335%0.345SS..EExtended strand (participates in β ladder)trans-88.5159.8172.1-62.20000111.7Q446 K448V440-Q446 CarbonylContact C-O 3.55Å; V440-Q446 WeakPolarHBondContact CA-O 3.2Å; V440-K448 WeakPolarHBondContact O-CE 3.18Å
441D88.9Confident91Very high45 Ų4563.6 Ų63.624%0.24133%0.334CS..  trans-82.8129165.9-175.948.3000111.7A443 T444 N445 Q446 K448D441-A443 VanDerWaalsContact C-N 3.33Å; D441-A443 PolarHBondContact O-N 2.9Å; D441-A443 PolarHBondContact OD2-N 3.18Å; D441-T444 WeakPolarHBondContact CB-OG1 3.28Å; D441-T444 PolarHBondContact OD2-N 3.09Å; D441-T444 PolarHBondContact OD2-OG1 3.44Å; D441-N445 WeakPolarHBondContact O-CA 3.33Å; D441-N445 PolarHBondContact O-N 3.17Å; D441-Q446 PolarHBondContact N-O 2.85Å; D441-K448 VanDerWaalsContact CB-CE 3.43Å; D441-K448 HydrophobicContact CB-CG 4.39Å; D441-K448 WeakPolarHBondContact OD1-CE 3.34Å; D441-K448 IonicContact OD1-NZ 3.67Å; D441-K448 PolarHBondContact OD1-NZ 2.57Å
442R85.8Confident91.3Very high234 Ų23464.2 Ų64.288%0.88333%0.331SS*.THydrogen-bonded Turntrans-76.6-19.7-175.6-167.3175.2-179.3-170.60.2113.3
443A86.7Confident91.4Very high89 Ų8959.8 Ų59.874%0.73631%0.308SS*.THydrogen-bonded Turntrans-82.4-38177.100000112.1D441D441-A443 VanDerWaalsContact C-N 3.33Å; D441-A443 PolarHBondContact O-N 2.9Å; D441-A443 PolarHBondContact OD2-N 3.18Å
444T88.8Confident91.5Very high76 Ų7659.2 Ų59.247%0.46630%0.304SS..THydrogen-bonded Turntrans-108.4-9.9-175.958.50000115D441 Q446D441-T444 WeakPolarHBondContact CB-OG1 3.28Å; D441-T444 PolarHBondContact OD2-N 3.09Å; D441-T444 PolarHBondContact OD2-OG1 3.44Å; T444-Q446 PolarHBondContact O-N 2.99Å; T444-Q446 VanDerWaalsContact O-N 3.15Å
445N84.6Confident91.6Very high130 Ų13056 Ų5670%0.69529%0.288SS*.  trans57.112.7-169.7-65.4-75.6000115.4D441D441-N445 WeakPolarHBondContact O-CA 3.33Å; D441-N445 PolarHBondContact O-N 3.17Å
446Q85.7Confident91.6Very high100 Ų10058.1 Ų58.147%0.46730%0.298SS..  trans-87.8146.5179-62.6-176.7108.300111.7V440 D441 T444V440-Q446 CarbonylContact C-O 3.55Å; V440-Q446 WeakPolarHBondContact CA-O 3.2Å; D441-Q446 PolarHBondContact N-O 2.85Å; T444-Q446 PolarHBondContact O-N 2.99Å; T444-Q446 VanDerWaalsContact O-N 3.15Å
447S90.3Very high91.4Very high15 Ų1559.6 Ų59.611%0.10530%0.304CS..EExtended strand (participates in β ladder)trans-60.8134.3174.9176.20000111.9Q416 V438 C449Q416-S447 WeakPolarHBondContact O-CB 3.38Å; V438-S447 WeakPolarHBondContact CG1-OG 3.44Å; S447-C449 PolarHBondContact O-N 3.24Å; S447-C449 PolarHBondContact OG-N 3.39Å; S447-C449 VanDerWaalsContact OG-N 3.09Å
448K91.3Very high91.3Very high102 Ų10259.1 Ų59.144%0.44331%0.308SS..EExtended strand (participates in β ladder)trans-77.712.3170.4-57.6-168.8179.6-163.30112.7F439 V440 D441 F450F439-K448 WeakPolarHBondContact O-CB 3.48Å; F439-K448 WeakPolarHBondContact O-CG 3.32Å; F439-K448 PolarHBondContact O-N 3.08Å; V440-K448 WeakPolarHBondContact O-CE 3.18Å; D441-K448 VanDerWaalsContact CB-CE 3.43Å; D441-K448 HydrophobicContact CB-CG 4.39Å; D441-K448 WeakPolarHBondContact OD1-CE 3.34Å; D441-K448 IonicContact OD1-NZ 3.67Å; D441-K448 PolarHBondContact OD1-NZ 2.57Å; K448-F450 HydrophobicContact CB-CD1 3.7Å; K448-F450 HydrophobicContact CB-CE1 3.56Å; K448-F450 HydrophobicContact CB-CZ 4.43Å; K448-F450 HydrophobicContact CD-CE1 4.14Å; K448-F450 HydrophobicContact CG-CE1 4.44Å; K448-F450 WeakPolarHBondContact O-CD1 3.44Å; K448-F450 PolarHBondContact O-N 3.19Å
449C91.4Very high91.3Very high26 Ų2663 Ų6318%0.17634%0.336CS..EExtended strand (participates in β ladder)trans57.825.8-179-58.50000113.8Y412 H413 L414 S447Y412-C449 CarbonylContact C-O 3.58Å; H413-C449 WeakPolarHBondContact CA-O 3.46Å; H413-C449 PolarHBondContact N-O 3.19Å; L414-C449 PolarHBondContact N-O 3.3Å; L414-C449 VanDerWaalsContact O-CB 3.28Å; L414-C449 WeakPolarHBondContact O-CB 3.15Å; S447-C449 PolarHBondContact O-N 3.24Å; S447-C449 PolarHBondContact OG-N 3.39Å; S447-C449 VanDerWaalsContact OG-N 3.09Å
450F94.8Very high91.5Very high52 Ų5260.2 Ų60.223%0.22833%0.325CS..EExtended strand (participates in β ladder)trans-143.8155.8175.375.2-106.2000112.6F410 I411 Y412 F439 K448F410-F450 HydrophobicContact CE2-CB 4.49Å; F410-F450 AromaticContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CE2 4.06Å; F410-F450 HydrophobicContact CE2-CG 4.31Å; F410-F450 AromaticContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CE2 4.26Å; F410-F450 HydrophobicContact CZ-CG 4.49Å; I411-F450 CarbonylContact O-C 3.59Å; I411-F450 WeakPolarHBondContact O-CA 3.37Å; I411-F450 WeakPolarHBondContact O-CB 3.32Å; Y412-F450 HydrophobicContact CD1-CB 4.49Å; F439-F450 HydrophobicContact CB-CD2 3.87Å; F439-F450 HydrophobicContact CB-CE1 4.4Å; F439-F450 HydrophobicContact CB-CE2 3.36Å; F439-F450 HydrophobicContact CB-CZ 3.66Å; F439-F450 AromaticContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CZ 4.24Å; F439-F450 HydrophobicContact CD2-CD2 4.41Å; F439-F450 HydrophobicContact CD2-CE2 4Å; F439-F450 HydrophobicContact CG-CD2 4.2Å; F439-F450 AromaticContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CE2 3.48Å; F439-F450 VanDerWaalsContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CZ 4.06Å; F439-F450 PolarHBondContact N-O 2.96Å; K448-F450 HydrophobicContact CB-CD1 3.7Å; K448-F450 HydrophobicContact CB-CE1 3.56Å; K448-F450 HydrophobicContact CB-CZ 4.43Å; K448-F450 HydrophobicContact CD-CE1 4.14Å; K448-F450 HydrophobicContact CG-CE1 4.44Å; K448-F450 WeakPolarHBondContact O-CD1 3.44Å; K448-F450 PolarHBondContact O-N 3.19Å
451G94.6Very high91.7Very high0 Ų056.2 Ų56.20%030%0.301CS..EExtended strand (participates in β ladder)trans-162.1175.5179.200000113.6F410 I411 K437F410-G451 WeakPolarHBondContact CD2-O 3.38Å; I411-G451 PolarHBondContact N-O 3.05Å; I411-G451 PolarHBondContact O-N 3.05Å; K437-G451 CarbonylContact O-C 3.45Å; K437-G451 WeakPolarHBondContact O-CA 3.4Å
452F95.8Very high92Very high32 Ų3257.8 Ų57.814%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-118.1148.5174.9-62.4-93.6000110.3L409 F410 A436 K437 F439 K483L409-F452 VanDerWaalsContact O-CA 3.27Å; L409-F452 WeakPolarHBondContact O-CA 3.14Å; L409-F452 WeakPolarHBondContact O-CD1 3.44Å; F410-F452 HydrophobicContact CB-CD1 4.04Å; F410-F452 HydrophobicContact CB-CE1 3.94Å; F410-F452 HydrophobicContact CD1-CE1 4.38Å; F410-F452 AromaticContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD2 4.09Å; F410-F452 AromaticContact CD2-CE1 3.18Å; F410-F452 HydrophobicContact CD2-CE1 3.18Å; F410-F452 AromaticContact CD2-CE2 3.8Å; F410-F452 HydrophobicContact CD2-CE2 3.8Å; F410-F452 AromaticContact CD2-CG 3.98Å; F410-F452 HydrophobicContact CD2-CG 3.98Å; F410-F452 AromaticContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CE2-CD1 4.28Å; F410-F452 HydrophobicContact CE2-CD2 4.17Å; F410-F452 AromaticContact CE2-CE1 3.66Å; F410-F452 HydrophobicContact CE2-CE1 3.66Å; F410-F452 AromaticContact CE2-CE2 3.54Å; F410-F452 HydrophobicContact CE2-CE2 3.54Å; F410-F452 AromaticContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CG-CD1 4.07Å; F410-F452 AromaticContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CZ 4.09Å; F410-F452 HydrophobicContact CZ-CE1 4.43Å; F410-F452 HydrophobicContact CZ-CE2 4.46Å; F410-F452 AromaticContact CZ-CZ 3.93Å; F410-F452 HydrophobicContact CZ-CZ 3.93Å; A436-F452 CarbonylContact C-O 3.59Å; A436-F452 WeakPolarHBondContact CA-O 3.4Å; K437-F452 PolarHBondContact N-O 3.48Å; K437-F452 PolarHBondContact O-N 3.49Å; F439-F452 HydrophobicContact CD2-CD2 4.13Å; F439-F452 HydrophobicContact CD2-CE2 4.23Å; F439-F452 AromaticContact CE2-CD2 3.59Å; F439-F452 HydrophobicContact CE2-CD2 3.59Å; F439-F452 AromaticContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CZ-CD2 4.3Å; F439-F452 HydrophobicContact CZ-CE2 4.07Å; F452-K483 HydrophobicContact CD1-CB 4.46Å; F452-K483 HydrophobicContact CD1-CD 3.9Å; F452-K483 HydrophobicContact CD1-CG 4.21Å; F452-K483 HydrophobicContact CE1-CB 4.5Å; F452-K483 HydrophobicContact CE1-CD 3.84Å; F452-K483 HydrophobicContact CE1-CG 3.91Å
453V96Very high92.5Very high0 Ų048.5 Ų48.50%028%0.28CS..EExtended strand (participates in β ladder)trans-131.9128.9170.7173.70000108.2L409 I411 L423 F427 V433 S435 A436 F455L409-V453 HydrophobicContact CB-CB 4.49Å; L409-V453 WeakPolarHBondContact CB-O 3.3Å; L409-V453 PolarHBondContact N-O 3.2Å; L409-V453 PolarHBondContact O-N 3.01Å; L409-V453 VanDerWaalsContact O-N 3.15Å; I411-V453 HydrophobicContact CD1-CB 3.92Å; I411-V453 HydrophobicContact CD1-CG2 3.71Å; L423-V453 HydrophobicContact CD1-CG2 3.86Å; L423-V453 HydrophobicContact CD2-CG2 3.99Å; L423-V453 HydrophobicContact CG-CG2 3.66Å; F427-V453 HydrophobicContact CB-CG1 3.91Å; F427-V453 HydrophobicContact CB-CG2 4.37Å; F427-V453 HydrophobicContact CD1-CG1 4.34Å; F427-V453 HydrophobicContact CD2-CG2 3.87Å; F427-V453 HydrophobicContact CE2-CG2 4.28Å; F427-V453 HydrophobicContact CG-CB 4.45Å; F427-V453 HydrophobicContact CG-CG1 4.1Å; F427-V453 HydrophobicContact CG-CG2 4.04Å; V433-V453 HydrophobicContact CG1-CG1 3.91Å; V433-V453 HydrophobicContact CG2-CG1 4.01Å; S435-V453 CarbonylContact O-C 3.52Å; S435-V453 WeakPolarHBondContact O-CA 3.27Å; A436-V453 HydrophobicContact CB-CG2 4.12Å; V453-F455 HydrophobicContact CG1-CD2 4.22Å; V453-F455 HydrophobicContact CG1-CE2 3.8Å; V453-F455 HydrophobicContact CG1-CZ 4.17Å
454S95.2Very high92.9Very high1 Ų144.3 Ų44.31%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-111.8115.7-179.7-65.60000109.5N408 V433 I434 S435N408-S454 VanDerWaalsContact OD1-CB 3.24Å; N408-S454 WeakPolarHBondContact OD1-CB 3.27Å; N408-S454 PolarHBondContact OD1-OG 3.48Å; V433-S454 CarbonylContact C-O 3.54Å; I434-S454 PolarHBondContact N-O 2.86Å; S435-S454 PolarHBondContact N-O 3.07Å; S435-S454 PolarHBondContact O-N 3.35Å; S435-S454 PolarHBondContact OG-OG 2.69Å
455F95.1Very high93.3Very high0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-87.7162.1170.5-72.2-82.4000111.4G403 C407 L409 F427 F430 N432 V433 V453 A461 A464G403-F455 WeakPolarHBondContact CA-O 3.4Å; C407-F455 VanDerWaalsContact CB-O 3.3Å; C407-F455 WeakPolarHBondContact CB-O 3.32Å; C407-F455 PolarHBondContact O-N 3.31Å; L409-F455 HydrophobicContact CD1-CD2 4.22Å; L409-F455 HydrophobicContact CD1-CE2 3.73Å; L409-F455 HydrophobicContact CG-CD2 4.44Å; L409-F455 HydrophobicContact CG-CE2 4.41Å; F427-F455 HydrophobicContact CB-CZ 4Å; F427-F455 HydrophobicContact CD1-CE2 4.1Å; F427-F455 HydrophobicContact CD1-CZ 4.01Å; F427-F455 WeakPolarHBondContact O-CZ 3.5Å; F430-F455 HydrophobicContact CB-CE1 4.33Å; F430-F455 HydrophobicContact CB-CZ 4.1Å; N432-F455 WeakPolarHBondContact O-CA 3.4Å; V433-F455 HydrophobicContact CG2-CD1 4.06Å; V433-F455 HydrophobicContact CG2-CE1 3.61Å; V433-F455 HydrophobicContact CG2-CZ 4.07Å; V453-F455 HydrophobicContact CG1-CD2 4.22Å; V453-F455 HydrophobicContact CG1-CE2 3.8Å; V453-F455 HydrophobicContact CG1-CZ 4.17Å; F455-A461 HydrophobicContact CB-CB 4.45Å; F455-A461 HydrophobicContact CD2-CB 3.93Å; F455-A464 HydrophobicContact CE2-CB 3.71Å; F455-A464 HydrophobicContact CZ-CB 3.87Å
456D91.6Very high93.8Very high63 Ų6343.4 Ų43.434%0.33723%0.232SC..SBendtrans-77.9-19171.967.2-6.7000114.3N432 I434N432-D456 WeakPolarHBondContact CB-OD2 3.2Å; N432-D456 PolarHBondContact ND2-OD2 2.65Å; N432-D456 PolarHBondContact O-N 2.9Å; N432-D456 VanDerWaalsContact O-N 3.16Å; I434-D456 HydrophobicContact CD1-CB 3.7Å; I434-D456 HydrophobicContact CG1-CB 3.87Å
457N91.6Very high94.2Very high48 Ų4841 Ų4126%0.25723%0.23SC..SBendtrans-139.9152.1-176.98088.3000111.9S459 S460N457-S459 WeakPolarHBondContact OD1-CB 3.43Å; N457-S459 PolarHBondContact OD1-N 3.46Å; N457-S459 VanDerWaalsContact OD1-N 3.11Å; N457-S460 WeakPolarHBondContact ND2-CB 3.08Å; N457-S460 PolarHBondContact ND2-OG 3.38Å; N457-S460 PolarHBondContact OD1-N 3.34Å; N457-S460 PolarHBondContact OD1-OG 3.01Å
458P92.3Very high94.4Very high65 Ų6540.9 Ų40.942%0.42223%0.228SC..Hα-helixtrans-76.2-25.6-174.229.3-34.4000112.7C407 A461 Q462C407-P458 VanDerWaalsContact SG-CA 3.59Å; C407-P458 VanDerWaalsContact SG-CD 3.56Å; P458-A461 PolarHBondContact O-N 2.87Å; P458-Q462 WeakPolarHBondContact O-CG 3.41Å; P458-Q462 PolarHBondContact O-N 3.44Å
459S94.3Very high94.6Very high88 Ų8839.8 Ų39.862%0.61523%0.227SC*.Hα-helixtrans-63.9-43.6179.4-51.50000111.3N457 Q462 A463N457-S459 WeakPolarHBondContact OD1-CB 3.43Å; N457-S459 PolarHBondContact OD1-N 3.46Å; N457-S459 VanDerWaalsContact OD1-N 3.11Å; S459-Q462 PolarHBondContact O-N 3.37Å; S459-A463 WeakPolarHBondContact O-CB 3.32Å; S459-A463 PolarHBondContact O-N 2.96Å
460S96Very high94.6Very high15 Ų1540 Ų4011%0.10523%0.233CC..Hα-helixtrans-62.4-40.7173.1-71.40000112.8F430 G431 N457 Q462 A463 A464F430-S460 WeakPolarHBondContact O-CA 3.42Å; F430-S460 WeakPolarHBondContact O-CB 3.29Å; F430-S460 PolarHBondContact O-OG 3.05Å; G431-S460 WeakPolarHBondContact CA-OG 3.37Å; N457-S460 WeakPolarHBondContact ND2-CB 3.08Å; N457-S460 PolarHBondContact ND2-OG 3.38Å; N457-S460 PolarHBondContact OD1-N 3.34Å; N457-S460 PolarHBondContact OD1-OG 3.01Å; S460-Q462 VanDerWaalsContact C-N 3.35Å; S460-Q462 PolarHBondContact O-N 3.02Å; S460-A463 PolarHBondContact O-N 2.85Å; S460-A464 VanDerWaalsContact O-CB 3.25Å; S460-A464 WeakPolarHBondContact O-CB 3.49Å; S460-A464 PolarHBondContact O-N 3.03Å
461A95.1Very high94.6Very high0 Ų042 Ų420%024%0.242CC..Hα-helixtrans-63.8-38.5175.100000112.3G406 L409 F455 P458 I465G406-A461 WeakPolarHBondContact O-CB 3.35Å; L409-A461 HydrophobicContact CD2-CB 3.96Å; L409-A461 HydrophobicContact CG-CB 4.33Å; F455-A461 HydrophobicContact CB-CB 4.45Å; F455-A461 HydrophobicContact CD2-CB 3.93Å; P458-A461 PolarHBondContact O-N 2.87Å; A461-I465 VanDerWaalsContact O-CG1 3.3Å; A461-I465 WeakPolarHBondContact O-CG1 3.39Å; A461-I465 PolarHBondContact O-N 3.21Å
462Q95.9Very high94.4Very high77 Ų7747.2 Ų47.236%0.3627%0.266SS..Hα-helixtrans-69.9-43174.5-67.1-61.2-24.900112.6P458 S459 S460 A464 I465 Q466P458-Q462 WeakPolarHBondContact O-CG 3.41Å; P458-Q462 PolarHBondContact O-N 3.44Å; S459-Q462 PolarHBondContact O-N 3.37Å; S460-Q462 VanDerWaalsContact C-N 3.35Å; S460-Q462 PolarHBondContact O-N 3.02Å; Q462-A464 VanDerWaalsContact C-N 3.31Å; Q462-A464 PolarHBondContact O-N 3.1Å; Q462-I465 PolarHBondContact O-N 3.06Å; Q462-Q466 WeakPolarHBondContact O-CG 3.31Å; Q462-Q466 PolarHBondContact O-N 2.92Å
463A95.4Very high93.9Very high40 Ų4047.3 Ų47.333%0.33127%0.268SS..Hα-helixtrans-59.6-43.417500000111.5S459 S460 Q466 A467S459-A463 WeakPolarHBondContact O-CB 3.32Å; S459-A463 PolarHBondContact O-N 2.96Å; S460-A463 PolarHBondContact O-N 2.85Å; A463-Q466 PolarHBondContact O-N 3.46Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 3.02Å
464A96Very high93.4Very high0 Ų050.5 Ų50.50%030%0.3CS..Hα-helixtrans-62.6-40.5174.300000113L409 F427 F430 F455 S460 Q462 M468L409-A464 HydrophobicContact CD1-CB 3.78Å; F427-A464 HydrophobicContact CD1-CB 3.82Å; F427-A464 HydrophobicContact CE1-CB 3.94Å; F430-A464 HydrophobicContact CB-CB 3.77Å; F430-A464 HydrophobicContact CD2-CB 3.87Å; F430-A464 HydrophobicContact CG-CB 3.83Å; F455-A464 HydrophobicContact CE2-CB 3.71Å; F455-A464 HydrophobicContact CZ-CB 3.87Å; S460-A464 VanDerWaalsContact O-CB 3.25Å; S460-A464 WeakPolarHBondContact O-CB 3.49Å; S460-A464 PolarHBondContact O-N 3.03Å; Q462-A464 VanDerWaalsContact C-N 3.31Å; Q462-A464 PolarHBondContact O-N 3.1Å; A464-M468 WeakPolarHBondContact O-CB 3.38Å; A464-M468 PolarHBondContact O-N 3.46Å
465I96.5Very high92.9Very high28 Ų2859.7 Ų59.714%0.14435%0.346CS..Hα-helixtrans-61.1-48.3172.3-71.6161.8000110.4L409 A461 Q462 A467 N469 V480 L482L409-I465 HydrophobicContact CD1-CG1 4.45Å; L409-I465 HydrophobicContact CD2-CD1 3.58Å; L409-I465 HydrophobicContact CD2-CG1 3.66Å; A461-I465 VanDerWaalsContact O-CG1 3.3Å; A461-I465 WeakPolarHBondContact O-CG1 3.39Å; A461-I465 PolarHBondContact O-N 3.21Å; Q462-I465 PolarHBondContact O-N 3.06Å; I465-A467 VanDerWaalsContact C-N 3.35Å; I465-A467 PolarHBondContact O-N 2.81Å; I465-N469 HydrophobicContact CG2-CB 4.43Å; I465-N469 WeakPolarHBondContact O-CB 3.48Å; I465-N469 PolarHBondContact O-N 3.06Å; I465-V480 HydrophobicContact CG1-CG1 3.99Å; I465-L482 HydrophobicContact CD1-CD2 3.82Å; I465-L482 HydrophobicContact CD1-CG 3.86Å
466Q95.7Very high92.6Very high159 Ų15965.1 Ų65.174%0.74337%0.369SS*.Hα-helixtrans-63.7-37.4-176.4-70.7173.223.400112.9Q462 A463Q462-Q466 WeakPolarHBondContact O-CG 3.31Å; Q462-Q466 PolarHBondContact O-N 2.92Å; A463-Q466 PolarHBondContact O-N 3.46Å
467A92.9Very high92.7Very high51 Ų5168.9 Ų68.942%0.42138%0.379SS..Hα-helixtrans-85.1-38.4-179.700000114F430 A463 I465F430-A467 HydrophobicContact CD1-CB 4.16Å; F430-A467 HydrophobicContact CE1-CB 3.34Å; F430-A467 HydrophobicContact CZ-CB 3.73Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 3.02Å; I465-A467 VanDerWaalsContact C-N 3.35Å; I465-A467 PolarHBondContact O-N 2.81Å
468M95.5Very high92.9Very high12 Ų1266.7 Ų66.76%0.05937%0.367CS..Hα-helixtrans-101.6-17.1-169.2-57.7-59-66.300114.3M426 F427 F430 A464 G470 F471 L478 V480M426-M468 HydrophobicContact CE-CE 4.2Å; M426-M468 HydrophobicContact CG-CE 3.65Å; M426-M468 HydrophobicContact SD-CE 3.69Å; F427-M468 HydrophobicContact CE1-CB 4.2Å; F427-M468 HydrophobicContact CE1-CG 4.11Å; F427-M468 HydrophobicContact CZ-CB 4.15Å; F427-M468 HydrophobicContact CZ-CG 4.3Å; F430-M468 HydrophobicContact CD2-CG 4.26Å; F430-M468 HydrophobicContact CE2-CG 3.4Å; F430-M468 HydrophobicContact CE2-SD 3.66Å; F430-M468 HydrophobicContact CZ-CG 3.65Å; F430-M468 HydrophobicContact CZ-SD 3.57Å; F430-M468 VanDerWaalsContact CZ-SD 3.57Å; A464-M468 WeakPolarHBondContact O-CB 3.38Å; A464-M468 PolarHBondContact O-N 3.46Å; M468-G470 PolarHBondContact O-N 3.19Å; M468-F471 HydrophobicContact CE-CB 4.32Å; M468-F471 HydrophobicContact CE-CD1 3.95Å; M468-F471 HydrophobicContact CE-CD2 4.47Å; M468-F471 HydrophobicContact CE-CE1 4.4Å; M468-F471 HydrophobicContact CE-CG 3.99Å; M468-F471 VanDerWaalsContact O-CB 3.28Å; M468-F471 WeakPolarHBondContact O-CB 3.27Å; M468-F471 PolarHBondContact O-N 3.44Å; M468-F471 HydrophobicContact SD-CD2 4.44Å; M468-F471 HydrophobicContact SD-CG 4.4Å; M468-L478 HydrophobicContact CE-CD1 3.88Å; M468-V480 HydrophobicContact CB-CG2 3.87Å
469N94.5Very high93.1Very high79 Ų7967.5 Ų67.542%0.42236%0.364SS..THydrogen-bonded Turntrans-73115175.3-173.850.8000110.7I465 K479 V480I465-N469 HydrophobicContact CG2-CB 4.43Å; I465-N469 WeakPolarHBondContact O-CB 3.48Å; I465-N469 PolarHBondContact O-N 3.06Å; N469-K479 WeakPolarHBondContact OD1-CA 3.25Å; N469-V480 HydrophobicContact CB-CB 4.05Å; N469-V480 PolarHBondContact OD1-N 2.84Å; N469-V480 PolarHBondContact OD1-O 3.18Å
470G92.1Very high93.2Very high29 Ų2963.3 Ų63.330%0.29934%0.335SS..THydrogen-bonded Turntrans92.3-4.9-172.900000114.4M468 Q472 R477 L478M468-G470 PolarHBondContact O-N 3.19Å; G470-Q472 PolarHBondContact O-N 3.38Å; G470-R477 WeakPolarHBondContact O-CD 3.44Å; G470-R477 WeakPolarHBondContact O-CG 3.13Å; G470-R477 PolarHBondContact O-NH1 2.75Å; G470-L478 WeakPolarHBondContact CA-O 3.22Å; G470-L478 PolarHBondContact N-O 3Å
471F93.5Very high93.1Very high96 Ų9666.7 Ų66.742%0.42135%0.349SS..  trans-57.9131.9176.1-178-92.1000110.8M468 I473 R477 L478M468-F471 HydrophobicContact CE-CB 4.32Å; M468-F471 HydrophobicContact CE-CD1 3.95Å; M468-F471 HydrophobicContact CE-CD2 4.47Å; M468-F471 HydrophobicContact CE-CE1 4.4Å; M468-F471 HydrophobicContact CE-CG 3.99Å; M468-F471 VanDerWaalsContact O-CB 3.28Å; M468-F471 WeakPolarHBondContact O-CB 3.27Å; M468-F471 PolarHBondContact O-N 3.44Å; M468-F471 HydrophobicContact SD-CD2 4.44Å; M468-F471 HydrophobicContact SD-CG 4.4Å; F471-I473 HydrophobicContact CE1-CB 4.47Å; F471-R477 CarbonylContact O-C 3.51Å; F471-R477 VanDerWaalsContact O-CA 3.3Å; F471-R477 WeakPolarHBondContact O-CA 3.49Å; F471-L478 HydrophobicContact CB-CD1 4.41Å; F471-L478 HydrophobicContact CD1-CD1 4.02Å; F471-L478 PolarHBondContact O-N 3.5Å
472Q91.8Very high93Very high108 Ų10870.2 Ų70.251%0.50537%0.367SS..EExtended strand (participates in β ladder)trans-89.8127.2-175-174.5170.2-17.900111G470 G474 K476 R477G470-Q472 PolarHBondContact O-N 3.38Å; Q472-G474 PolarHBondContact NE2-O 3.18Å; Q472-K476 WeakPolarHBondContact CA-O 3.4Å; Q472-R477 HydrophobicContact CB-CG 4.33Å
473I85.3Confident92.7Very high35 Ų3569.8 Ų69.818%0.17936%0.364CS..EExtended strand (participates in β ladder)trans-134.4115176.8-164.1162.7000109P415 F418 M426 F471 M475 K476 L478P415-I473 HydrophobicContact CG-CD1 3.52Å; P415-I473 HydrophobicContact CG-CG1 3.73Å; P415-I473 HydrophobicContact CG-CG2 4.04Å; F418-I473 HydrophobicContact CE1-CD1 4.25Å; F418-I473 HydrophobicContact CE2-CD1 4.01Å; F418-I473 HydrophobicContact CZ-CD1 3.65Å; M426-I473 HydrophobicContact SD-CD1 4.45Å; F471-I473 HydrophobicContact CE1-CB 4.47Å; I473-M475 PolarHBondContact O-N 2.93Å; I473-K476 PolarHBondContact N-O 3.5Å; I473-K476 PolarHBondContact O-N 2.88Å; I473-K476 VanDerWaalsContact O-N 3.08Å; I473-K476 VanDerWaalsContact O-O 3.13Å; I473-L478 HydrophobicContact CG2-CD2 3.82Å; I473-L478 HydrophobicContact CG2-CG 3.94Å
474G84.3Confident92Very high66 Ų6677.1 Ų77.168%0.6838%0.383SS*.THydrogen-bonded Turntrans53.2-125.8-165.300000112.1Q472Q472-G474 PolarHBondContact NE2-O 3.18Å
475M85.6Confident90.8Very high195 Ų19580.5 Ų80.596%0.96141%0.405SS*.THydrogen-bonded Turntrans-88.31.7179.3-64.2-176.9-76.900114.4I473I473-M475 PolarHBondContact O-N 2.93Å
476K89.5Confident89.3Confident113 Ų11388.6 Ų88.649%0.49144%0.439SS..EExtended strand (participates in β ladder)trans-118.7162.8-175.8-68.1178.2-176.6168.80111.5H413 Q472 I473H413-K476 HydrophobicContact CB-CB 4.22Å; H413-K476 HydrophobicContact CB-CD 4.3Å; Q472-K476 WeakPolarHBondContact CA-O 3.4Å; I473-K476 PolarHBondContact N-O 3.5Å; I473-K476 PolarHBondContact O-N 2.88Å; I473-K476 VanDerWaalsContact O-N 3.08Å; I473-K476 VanDerWaalsContact O-O 3.13Å
477R92.7Very high87.4Confident142 Ų14288.2 Ų88.254%0.53644%0.442SS..EExtended strand (participates in β ladder)trans-112.4128.4168.2-69.3-176.1-178.4-74.3-11.7109.7H413 G470 F471 Q472H413-R477 WeakPolarHBondContact CB-O 3.47Å; H413-R477 PolarHBondContact ND1-O 2.84Å; G470-R477 WeakPolarHBondContact O-CD 3.44Å; G470-R477 WeakPolarHBondContact O-CG 3.13Å; G470-R477 PolarHBondContact O-NH1 2.75Å; F471-R477 CarbonylContact O-C 3.51Å; F471-R477 VanDerWaalsContact O-CA 3.3Å; F471-R477 WeakPolarHBondContact O-CA 3.49Å; Q472-R477 HydrophobicContact CB-CG 4.33Å
478L96.1Very high85.3Confident2 Ų288.9 Ų88.91%0.0145%0.448CS..  trans-58.5140.7172.5-65.2-178.3000109.8I411 L414 M426 M468 G470 F471 I473 V480I411-L478 HydrophobicContact CG2-CD2 4.33Å; L414-L478 HydrophobicContact CD2-CD2 3.91Å; M426-L478 HydrophobicContact CE-CD1 3.62Å; M426-L478 HydrophobicContact SD-CD1 4.02Å; M468-L478 HydrophobicContact CE-CD1 3.88Å; G470-L478 WeakPolarHBondContact CA-O 3.22Å; G470-L478 PolarHBondContact N-O 3Å; F471-L478 HydrophobicContact CB-CD1 4.41Å; F471-L478 HydrophobicContact CD1-CD1 4.02Å; F471-L478 PolarHBondContact O-N 3.5Å; I473-L478 HydrophobicContact CG2-CD2 3.82Å; I473-L478 HydrophobicContact CG2-CG 3.94Å; L478-V480 HydrophobicContact CB-CG2 4.36Å
479K95.8Very high83Confident82 Ų8294.3 Ų94.336%0.35748%0.477SS..EExtended strand (participates in β ladder)trans-118113170.8174.9-177.3175.3-176.30107.7I411 Y412 N469 Q481I411-K479 WeakPolarHBondContact CA-O 3.3Å; Y412-K479 HydrophobicContact CD2-CB 4.32Å; Y412-K479 HydrophobicContact CD2-CD 4.03Å; Y412-K479 HydrophobicContact CD2-CG 4.14Å; Y412-K479 HydrophobicContact CE2-CD 4.41Å; Y412-K479 PolarHBondContact N-O 3.04Å; Y412-K479 PolarHBondContact O-N 2.97Å; Y412-K479 VanDerWaalsContact O-N 3.07Å; N469-K479 WeakPolarHBondContact OD1-CA 3.25Å; K479-Q481 VanDerWaalsContact CE-CD 3.43Å; K479-Q481 VanDerWaalsContact CE-OE1 3.25Å; K479-Q481 HydrophobicContact CG-CG 4.26Å
480V96.3Very high80.3Confident1 Ų1101.3 Ų101.31%0.00650%0.498CS..EExtended strand (participates in β ladder)trans-117.6120.6-172.8-176.30000108.2L409 I411 F427 I465 M468 N469 L478L409-V480 HydrophobicContact CD1-CG1 3.81Å; I411-V480 HydrophobicContact CG1-CG1 4.35Å; I411-V480 HydrophobicContact CG1-CG2 4.26Å; I411-V480 HydrophobicContact CG2-CG2 4.12Å; F427-V480 HydrophobicContact CE1-CG1 4.11Å; F427-V480 HydrophobicContact CZ-CG1 4.21Å; F427-V480 HydrophobicContact CZ-CG2 4Å; I465-V480 HydrophobicContact CG1-CG1 3.99Å; M468-V480 HydrophobicContact CB-CG2 3.87Å; N469-V480 HydrophobicContact CB-CB 4.05Å; N469-V480 PolarHBondContact OD1-N 2.84Å; N469-V480 PolarHBondContact OD1-O 3.18Å; L478-V480 HydrophobicContact CB-CG2 4.36Å
481Q94.8Very high78.3Confident86 Ų86105.4 Ų105.440%0.40252%0.519SS..EExtended strand (participates in β ladder)trans-140159.1-176-59.1-167.4-48.700110.3L409 F410 K479 K483L409-Q481 CarbonylContact C-O 3.51Å; L409-Q481 WeakPolarHBondContact CA-O 3.44Å; F410-Q481 PolarHBondContact N-O 2.76Å; F410-Q481 PolarHBondContact O-N 3.27Å; K479-Q481 VanDerWaalsContact CE-CD 3.43Å; K479-Q481 VanDerWaalsContact CE-OE1 3.25Å; K479-Q481 HydrophobicContact CG-CG 4.26Å; Q481-K483 PolarHBondContact O-N 2.81Å
482L93.3Very high75.8Confident73 Ų73114.7 Ų114.738%0.38255%0.553SS.*EExtended strand (participates in β ladder)trans-59.6134.8167.4-69.8179.3000110.1G406 L409 I465 R484G406-L482 WeakPolarHBondContact O-CD2 3.3Å; L409-L482 HydrophobicContact CD2-CD2 4Å; I465-L482 HydrophobicContact CD1-CD2 3.82Å; I465-L482 HydrophobicContact CD1-CG 3.86Å; L482-R484 PolarHBondContact O-N 3.48Å
483K88.8Confident75Confident68 Ų68115.1 Ų115.130%0.29656%0.556SS.*PPolyproline II helixtrans-61.3125.7166.8179.8-176.9-178.4-174.80108.3E402 N408 F452 Q481E402-K483 IonicContact OE1-NZ 3.19Å; E402-K483 PolarHBondContact OE1-NZ 3.24Å; E402-K483 IonicContact OE2-NZ 2.69Å; E402-K483 PolarHBondContact OE2-NZ 3.1Å; N408-K483 HydrophobicContact CB-CB 3.93Å; N408-K483 HydrophobicContact CB-CD 4.18Å; N408-K483 WeakPolarHBondContact O-CB 3.04Å; N408-K483 PolarHBondContact O-N 2.95Å; F452-K483 HydrophobicContact CD1-CB 4.46Å; F452-K483 HydrophobicContact CD1-CD 3.9Å; F452-K483 HydrophobicContact CD1-CG 4.21Å; F452-K483 HydrophobicContact CE1-CB 4.5Å; F452-K483 HydrophobicContact CE1-CD 3.84Å; F452-K483 HydrophobicContact CE1-CG 3.91Å; Q481-K483 PolarHBondContact O-N 2.81Å
484R82Confident74.5Confident195 Ų195119.3 Ų119.374%0.73658%0.576SS**PPolyproline II helixtrans-62.6134.5174.3-63.8-177.2-178.9-176.1-1.4109.8L482L482-R484 PolarHBondContact O-N 3.48Å
485P70.3Confident73.9Confident71 Ų71122.2 Ų122.246%0.46157%0.57SS.*PPolyproline II helixtrans-60.8147.4173.126.4-33000109.7D487 A488P485-D487 PolarHBondContact O-N 2.87Å; P485-A488 HydrophobicContact CG-CB 4.02Å; P485-A488 WeakPolarHBondContact O-CB 3.43Å; P485-A488 PolarHBondContact O-N 3.49Å; P485-A488 VanDerWaalsContact O-N 3.1Å
486K63.8Low73.2Confident197 Ų197117.9 Ų117.986%0.85755%0.547SS*.G310 helixtrans-65.3-27-166.6-162173.1-179-179.30112.8A488K486-A488 VanDerWaalsContact C-N 3.33Å
487D55.9Low72.2Confident151 Ų151118.3 Ų118.381%0.80755%0.55SS**G310 helixtrans-78.6-14-179.1-48.3-85.7000113.1P485 N489P485-D487 PolarHBondContact O-N 2.87Å; D487-N489 PolarHBondContact O-N 2.83Å
488A50.3Low70.9Confident65 Ų65116.7 Ų116.754%0.53755%0.551SS.*G310 helixtrans-82.418.4178.600000114.3P485 K486P485-A488 HydrophobicContact CG-CB 4.02Å; P485-A488 WeakPolarHBondContact O-CB 3.43Å; P485-A488 PolarHBondContact O-N 3.49Å; P485-A488 VanDerWaalsContact O-N 3.1Å; K486-A488 VanDerWaalsContact C-N 3.33Å
489N45.8Very low69Low126 Ų126124.9 Ų124.967%0.67459%0.59SS**  trans-127.853.9-171.5-160.861.5000114.3D487D487-N489 PolarHBondContact O-N 2.83Å
490R38.8Very low67Low227 Ų227128.2 Ų128.286%0.85761%0.608SS**  trans-163.190.4152.5-107.1178-155.7-159.83.7112.1
491P49.2Very low64.5Low114 Ų114138.8 Ų138.874%0.7466%0.658SS**  trans-84.4110.615331.6-25.4000108.9
492Y41.7Very low61.8Low292 Ų292143.5 Ų143.5100%1.14568%0.681SS**  trans52.50179.1-69.3-86.6000115.4

Retrieved 492 of 492 residues in 1062.7 ms (Link to these results)