G4LZA9_SCHMA Loading...

General transcription factor IIF subunit 2

AlphaFold DB , UniProt , Accession G4LZA9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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
1M40.4Very low47.7Very low249 Ų249146.3 Ų146.3100%1.22783%0.831SS**  092.80-76.6170143.900109
2S48.4Very low47.4Very low119 Ų119147 Ų14783%0.83283%0.828SS**  trans-166.7105.6158.742.50000107.7
3N43.2Very low46.8Very low166 Ų166151.5 Ų151.589%0.88883%0.834SS**  trans-87.1112.8-170.8-163.3-8.4000108.5
4V52.6Low46.4Very low137 Ų137149.6 Ų149.683%0.8384%0.835SS**  trans-99.9107.7174-179.30000108.3
5K51.5Low46.3Very low182 Ų182148.5 Ų148.579%0.79183%0.827SS**PPolyproline II helixtrans-64.9136.2-178.9-167.1174.1-175.2176.30111.2K7K5-K7 PolarHBondContact O-N 3.11Å
6P49Very low46.2Very low121 Ų121144.8 Ų144.879%0.78682%0.821SS**PPolyproline II helixtrans-75.6128.5175.831-31000109.7
7K49Very low46.3Very low208 Ų208145.7 Ų145.790%0.90482%0.816SS**PPolyproline II helixtrans-72.3137.9170.8-80.6179.2173.8177.20109.6K5K5-K7 PolarHBondContact O-N 3.11Å
8S46Very low46.7Very low102 Ų102140.6 Ų140.671%0.71380%0.795SS**PPolyproline II helixtrans-56.8135.1-17749.20000113.3S10S8-S10 PolarHBondContact O-N 3.4Å
9A49.7Very low47.5Very low102 Ų102141.5 Ų141.584%0.84380%0.797SS**  trans-92.245.2-178.100000113
10S50.8Low48.4Very low83 Ų83139.1 Ų139.158%0.5878%0.779SS**  trans-102.3-9.3-173.453.50000116.2S8S8-S10 PolarHBondContact O-N 3.4Å
11D44.2Very low49.8Very low140 Ų140138.8 Ų138.875%0.74978%0.78SS**SBendtrans-12132-167.3-56.7-23.1000114.8
12I43.5Very low51.7Low155 Ų155129.9 Ų129.980%0.79574%0.739SS**  trans-111.826.7-179.4-54.8170.7000112.1
13F40.6Very low53.5Low205 Ų205126.3 Ų126.390%0.89971%0.711SS**  trans-124.739.4179.8-102.3-83.2000113.4
14C41Very low55.7Low126 Ų126122.6 Ų122.685%0.85169%0.694SS**SBendtrans-141.755.9179.1-70.80000113.3
15D44.7Very low57.5Low133 Ų133119.7 Ų119.771%0.71168%0.68SS**  trans-16636.1155-142.67000115.9
16A45.2Very low59.2Low89 Ų89115.3 Ų115.374%0.73666%0.659SS**SBendtrans-94-6.8179.300000114
17H47Very low61Low160 Ų160110.4 Ų110.474%0.74163%0.629SS**  trans-144.875.5179.5-60.5-65.9000109.8L19H17-L19 PolarHBondContact O-N 3.42Å
18A53.7Low62.8Low53 Ų53108.3 Ų108.344%0.43862%0.62SS.*  trans-60.995.7157.400000106.6H20A18-H20 VanDerWaalsContact C-N 3.28Å; A18-H20 PolarHBondContact O-CD2 3.05Å; A18-H20 VanDerWaalsContact O-CD2 3.25Å; A18-H20 PolarHBondContact O-N 2.84Å
19L61.5Low65Low158 Ų158106.5 Ų106.583%0.82760%0.602SS**  trans-64.993176.2-70.8175.3000107.2H17 V21H17-L19 PolarHBondContact O-N 3.42Å; L19-V21 PolarHBondContact O-N 3.22Å
20H66.7Low67Low93 Ų93103.8 Ų103.843%0.43158%0.584SS.*  trans-63.9122.2171.1-69.4-81.5000108A18 V22 L186A18-H20 VanDerWaalsContact C-N 3.28Å; A18-H20 PolarHBondContact O-CD2 3.05Å; A18-H20 VanDerWaalsContact O-CD2 3.25Å; A18-H20 PolarHBondContact O-N 2.84Å; H20-V22 PolarHBondContact O-N 2.98Å; H20-V22 VanDerWaalsContact O-N 3.1Å; H20-L186 HydrophobicContact CB-CD1 4.2Å
21V76.3Confident68.9Low133 Ų133101.1 Ų101.181%0.80656%0.564SS**  trans-66.4112.4174.3-1790000107.6L19L19-V21 PolarHBondContact O-N 3.22Å
22V82Confident71.2Confident62 Ų6299.8 Ų99.838%0.37655%0.549SS..EExtended strand (participates in β ladder)trans-96.5124.9175.3-178.20000108.4H20 T24 L186H20-V22 PolarHBondContact O-N 2.98Å; H20-V22 VanDerWaalsContact O-N 3.1Å; V22-T24 HydrophobicContact CG1-CG2 4.48Å; V22-T24 PolarHBondContact O-N 3.5Å; V22-L186 WeakPolarHBondContact CA-O 3.22Å; V22-L186 HydrophobicContact CG1-CB 4.43Å; V22-L186 HydrophobicContact CG2-CB 4.06Å; V22-L186 HydrophobicContact CG2-CD1 4.44Å
23D85.7Confident73.5Confident45 Ų4595.9 Ų95.924%0.24153%0.529CS..EExtended strand (participates in β ladder)trans-72.4117.7173.4-175.3-9.4000110S25 R185 L186 S187 L188D23-S25 VanDerWaalsContact OD1-CB 3.22Å; D23-S25 WeakPolarHBondContact OD1-CB 3.3Å; D23-S25 PolarHBondContact OD1-N 3.4Å; D23-S25 PolarHBondContact OD1-OG 2.68Å; D23-R185 IonicContact OD2-CZ 3.78Å; D23-R185 IonicContact OD2-NH2 3.62Å; D23-R185 PolarHBondContact OD2-NH2 3.11Å; D23-L186 PolarHBondContact N-O 3.16Å; D23-S187 CarbonylContact O-C 3.55Å; D23-S187 WeakPolarHBondContact O-CA 3.34Å; D23-L188 PolarHBondContact O-N 2.7Å
24T89.4Confident76Confident87 Ų8788.1 Ų88.153%0.53450%0.499SS..  trans-109.210.8-178.7590000113.4V22 R26 A27 L188V22-T24 HydrophobicContact CG1-CG2 4.48Å; V22-T24 PolarHBondContact O-N 3.5Å; T24-R26 PolarHBondContact O-N 2.76Å; T24-R26 VanDerWaalsContact O-N 3.08Å; T24-A27 WeakPolarHBondContact O-CB 3.49Å; T24-A27 PolarHBondContact O-N 3.4Å; T24-L188 HydrophobicContact CG2-CD2 4.4Å
25S90Very high78.7Confident77 Ų7788.6 Ų88.654%0.53849%0.486SS..THydrogen-bonded Turntrans-53.8-33.7-176.554.30000114D23D23-S25 VanDerWaalsContact OD1-CB 3.22Å; D23-S25 WeakPolarHBondContact OD1-CB 3.3Å; D23-S25 PolarHBondContact OD1-N 3.4Å; D23-S25 PolarHBondContact OD1-OG 2.68Å
26R88Confident81.1Confident89 Ų8984.1 Ų84.134%0.33646%0.464SS..THydrogen-bonded Turntrans-100.113.8-179.3-54.4-164.2-35.7160.955.3114.2T24 K28 D29 F189 G190T24-R26 PolarHBondContact O-N 2.76Å; T24-R26 VanDerWaalsContact O-N 3.08Å; R26-K28 PolarHBondContact O-N 3.1Å; R26-K28 VanDerWaalsContact O-N 3.09Å; R26-D29 HydrophobicContact CB-CB 4.44Å; R26-D29 VanDerWaalsContact CB-OD2 3.3Å; R26-D29 WeakPolarHBondContact CB-OD2 3.45Å; R26-D29 WeakPolarHBondContact O-CB 3.41Å; R26-D29 PolarHBondContact O-N 3.35Å; R26-F189 WeakPolarHBondContact CB-O 3.42Å; R26-F189 VanDerWaalsContact CZ-CE2 3.41Å; R26-F189 PolarHBondContact NE-O 2.91Å; R26-F189 PolarHBondContact NH2-O 3.36Å; R26-G190 WeakPolarHBondContact O-CA 3.31Å
27A86Confident83.5Confident19 Ų1981 Ų8116%0.15744%0.436CS..THydrogen-bonded Turntrans-54.3-32.2177.900000113.5T24 D29 L188 R191T24-A27 WeakPolarHBondContact O-CB 3.49Å; T24-A27 PolarHBondContact O-N 3.4Å; A27-D29 VanDerWaalsContact C-N 3.33Å; A27-L188 HydrophobicContact CB-CD2 3.37Å; A27-L188 HydrophobicContact CB-CG 4.3Å; A27-R191 WeakPolarHBondContact O-CD 3.29Å; A27-R191 VanDerWaalsContact O-CG 3.26Å; A27-R191 WeakPolarHBondContact O-CG 3.19Å; A27-R191 VanDerWaalsContact O-CZ 3.29Å; A27-R191 PolarHBondContact O-NE 3.02Å; A27-R191 PolarHBondContact O-NH1 3.26Å
28K87.9Confident85.7Confident164 Ų16480.6 Ų80.671%0.71343%0.432SS*.THydrogen-bonded Turntrans-81.1-12.4-179.164.8-178.1179.2179.80113.7R26 G30R26-K28 PolarHBondContact O-N 3.1Å; R26-K28 VanDerWaalsContact O-N 3.09Å; K28-G30 PolarHBondContact O-N 2.96Å
29D91.6Very high87.5Confident63 Ų6378.6 Ų78.634%0.33741%0.413SS..  trans-75.5126.5-172.9-63.7-8.8000109.7R26 A27 G190 R191R26-D29 HydrophobicContact CB-CB 4.44Å; R26-D29 VanDerWaalsContact CB-OD2 3.3Å; R26-D29 WeakPolarHBondContact CB-OD2 3.45Å; R26-D29 WeakPolarHBondContact O-CB 3.41Å; R26-D29 PolarHBondContact O-N 3.35Å; A27-D29 VanDerWaalsContact C-N 3.33Å; D29-G190 CarbonylContact O-C 3.51Å; D29-G190 VanDerWaalsContact O-CA 3.28Å; D29-G190 WeakPolarHBondContact O-CA 3.15Å; D29-R191 PolarHBondContact O-N 3.38Å
30G90.4Very high89Confident46 Ų4671 Ų7147%0.47437%0.374SS..EExtended strand (participates in β ladder)trans-83123.4177.600000111.1K28 R191 N193K28-G30 PolarHBondContact O-N 2.96Å; G30-R191 CarbonylContact C-O 3.52Å; G30-R191 WeakPolarHBondContact CA-O 3.42Å; G30-N193 WeakPolarHBondContact CA-ND2 3.17Å
31V91.6Very high90.3Very high27 Ų2768.8 Ų68.816%0.16437%0.371CS..EExtended strand (participates in β ladder)trans-118.3148.7179.8-60.50000112.1I141 F189 R191 V192 N193V31-I141 HydrophobicContact CG2-CG1 3.86Å; V31-F189 HydrophobicContact CG1-CD1 4.06Å; V31-F189 HydrophobicContact CG1-CE1 4.07Å; V31-R191 WeakPolarHBondContact CG2-O 3.37Å; V31-R191 PolarHBondContact N-O 2.75Å; V31-V192 HydrophobicContact CG2-CG2 4.06Å; V31-V192 CarbonylContact O-C 3.58Å; V31-V192 VanDerWaalsContact O-CA 3.26Å; V31-V192 WeakPolarHBondContact O-CA 3.34Å; V31-N193 PolarHBondContact O-N 3.38Å; V31-N193 PolarHBondContact O-OD1 3.28Å
32W91.8Very high91Very high111 Ų11166.4 Ų66.442%0.4235%0.351SS..EExtended strand (participates in β ladder)trans-91.8131.1175.1-77.432.6000110.4V34 V76 I103 S194W32-V34 HydrophobicContact CB-CG2 4.33Å; W32-V76 HydrophobicContact CH2-CG2 4.23Å; W32-V76 HydrophobicContact CZ3-CG1 4.36Å; W32-V76 HydrophobicContact CZ3-CG2 4.4Å; W32-I103 HydrophobicContact CH2-CD1 4.24Å; W32-S194 WeakPolarHBondContact CA-O 3.42Å
33L92.4Very high91.4Very high73 Ų7363.7 Ų63.738%0.38234%0.335SS..EExtended strand (participates in β ladder)trans-99.1107.4170.417862.8000109.3L139 V192 S194 R195 A196L33-L139 HydrophobicContact CD2-CD1 3.78Å; L33-V192 HydrophobicContact CB-CG1 3.53Å; L33-V192 HydrophobicContact CB-CG2 4.27Å; L33-S194 PolarHBondContact N-O 2.75Å; L33-R195 HydrophobicContact CB-CG 4.33Å; L33-R195 HydrophobicContact CD2-CG 4.42Å; L33-R195 CarbonylContact O-C 3.55Å; L33-R195 VanDerWaalsContact O-CA 3.31Å; L33-R195 WeakPolarHBondContact O-CA 3.4Å; L33-A196 PolarHBondContact O-N 3.08Å
34V94.2Very high91.8Very high43 Ų4365 Ų6526%0.26134%0.336SS..EExtended strand (participates in β ladder)trans-109.5122.6-178.5-1720000110.4W32 V36 F101 A196 C198W32-V34 HydrophobicContact CB-CG2 4.33Å; V34-V36 HydrophobicContact CB-CG2 4.44Å; V34-V36 HydrophobicContact CG1-CG2 3.96Å; V34-F101 HydrophobicContact CG1-CD2 4.37Å; V34-F101 HydrophobicContact CG1-CE1 4.27Å; V34-F101 HydrophobicContact CG1-CE2 4.04Å; V34-F101 HydrophobicContact CG1-CZ 3.98Å; V34-F101 HydrophobicContact CG2-CE2 4.13Å; V34-A196 CarbonylContact C-O 3.58Å; V34-A196 WeakPolarHBondContact CA-O 3.4Å; V34-A196 HydrophobicContact CG1-CB 4.48Å; V34-A196 HydrophobicContact CG2-CB 4.35Å; V34-C198 HydrophobicContact CG1-CB 4.14Å
35K96.3Very high91.8Very high135 Ų13568.5 Ų68.559%0.58735%0.346SS*.EExtended strand (participates in β ladder)trans-80121.2169.3179.3-176.3172.2-159.30109.3A196 E197 C198K35-A196 PolarHBondContact N-O 3.4Å; K35-E197 HydrophobicContact CB-CG 4.39Å; K35-E197 HydrophobicContact CD-CG 4.11Å; K35-E197 WeakPolarHBondContact CE-OE1 3.07Å; K35-E197 HydrophobicContact CG-CG 4.49Å; K35-E197 IonicContact NZ-OE1 3.45Å; K35-E197 PolarHBondContact NZ-OE1 3.44Å; K35-C198 WeakPolarHBondContact O-CB 3.49Å; K35-C198 PolarHBondContact O-N 3.35Å
36V95.6Very high91.7Very high39 Ų3970.3 Ų70.324%0.23635%0.35CS..  trans-115.3138.9-174.11790000111.1V34 L40 W44 C198V34-V36 HydrophobicContact CB-CG2 4.44Å; V34-V36 HydrophobicContact CG1-CG2 3.96Å; V36-L40 HydrophobicContact CG1-CB 3.52Å; V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.37Å; V36-W44 HydrophobicContact CB-CH2 4.35Å; V36-W44 HydrophobicContact CB-CZ3 4.29Å; V36-W44 HydrophobicContact CG1-CH2 3.78Å; V36-W44 HydrophobicContact CG1-CZ2 4.33Å; V36-W44 HydrophobicContact CG1-CZ3 3.91Å; V36-W44 HydrophobicContact CG2-CH2 3.73Å; V36-W44 HydrophobicContact CG2-CZ3 3.85Å; V36-C198 HydrophobicContact CG2-CB 4.34Å
37P94.5Very high91.7Very high23 Ų2367.3 Ų67.315%0.14934%0.344CS..  trans-58144.3172.9-26.334.4000113.4Y39 L40 A41 C198P37-Y39 VanDerWaalsContact C-N 3.31Å; P37-Y39 HydrophobicContact CB-CD1 3.79Å; P37-Y39 HydrophobicContact CB-CE1 3.19Å; P37-Y39 HydrophobicContact CG-CE1 4.05Å; P37-Y39 PolarHBondContact O-N 3.44Å; P37-L40 PolarHBondContact O-N 3.38Å; P37-A41 PolarHBondContact O-N 3.39Å; P37-C198 WeakPolarHBondContact CD-O 3.48Å; P37-C198 WeakPolarHBondContact CG-O 3.32Å
38K93.4Very high91.6Very high152 Ų15268.5 Ų68.566%0.66136%0.358SS*.Hα-helixtrans-55.1-40.5-173.5-164.2-173.7-176.9-1290114.2L40 A41 E42K38-L40 VanDerWaalsContact C-N 3.29Å; K38-L40 PolarHBondContact O-N 3.14Å; K38-A41 PolarHBondContact O-N 3.24Å; K38-E42 WeakPolarHBondContact CD-OE1 3.14Å; K38-E42 WeakPolarHBondContact CE-OE1 3.35Å; K38-E42 HydrophobicContact CG-CG 4.46Å; K38-E42 IonicContact NZ-OE1 3.83Å; K38-E42 PolarHBondContact NZ-OE1 3.35Å; K38-E42 WeakPolarHBondContact O-CG 3.46Å; K38-E42 PolarHBondContact O-N 2.9Å
39Y91.8Very high91.4Very high11 Ų1167.3 Ų67.34%0.04337%0.37CS..Hα-helixtrans-66.3-29.7-179.463.1-89.7000113P37 L43 I95 H99 P200 Y206 L209P37-Y39 VanDerWaalsContact C-N 3.31Å; P37-Y39 HydrophobicContact CB-CD1 3.79Å; P37-Y39 HydrophobicContact CB-CE1 3.19Å; P37-Y39 HydrophobicContact CG-CE1 4.05Å; P37-Y39 PolarHBondContact O-N 3.44Å; Y39-L43 WeakPolarHBondContact O-CB 3.13Å; Y39-L43 PolarHBondContact O-N 3.26Å; Y39-I95 HydrophobicContact CD2-CG1 4.27Å; Y39-I95 HydrophobicContact CD2-CG2 3.95Å; Y39-I95 HydrophobicContact CE2-CG2 3.88Å; Y39-H99 AromaticContact CE2-NE2 3.52Å; Y39-H99 AromaticContact CZ-NE2 3.51Å; Y39-H99 PolarHBondContact OH-CD2 3.42Å; Y39-H99 PolarHBondContact OH-NE2 3.36Å; Y39-P200 WeakPolarHBondContact OH-CB 3.22Å; Y39-Y206 HydrophobicContact CE1-CD2 4.35Å; Y39-Y206 AromaticContact CE1-CE2 3.64Å; Y39-Y206 HydrophobicContact CE1-CE2 3.64Å; Y39-L209 HydrophobicContact CD1-CD2 4.17Å; Y39-L209 HydrophobicContact CD2-CD2 4.21Å; Y39-L209 HydrophobicContact CG-CD2 3.98Å
40L93.8Very high91Very high0 Ų071.9 Ų71.90%040%0.395CS..Hα-helixtrans-73-40.5172.8-71.6-175.7000110.9V36 P37 K38 E42 L43 W44 L78 I95V36-L40 HydrophobicContact CG1-CB 3.52Å; V36-L40 HydrophobicContact CG1-CD1 3.98Å; V36-L40 HydrophobicContact CG1-CG 4.37Å; P37-L40 PolarHBondContact O-N 3.38Å; K38-L40 VanDerWaalsContact C-N 3.29Å; K38-L40 PolarHBondContact O-N 3.14Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-E42 PolarHBondContact O-N 2.96Å; L40-L43 WeakPolarHBondContact O-CB 3.4Å; L40-L43 PolarHBondContact O-N 2.9Å; L40-W44 VanDerWaalsContact O-CD1 3.31Å; L40-W44 PolarHBondContact O-N 3.45Å; L40-L78 HydrophobicContact CD1-CD2 3.81Å; L40-I95 HydrophobicContact CD2-CG2 4.46Å
41A93.1Very high90.6Very high46 Ų4671.3 Ų71.338%0.3839%0.389SS..Hα-helixtrans-62.4-40.6175.600000111.9P37 K38 W44 H45P37-A41 PolarHBondContact O-N 3.39Å; K38-A41 PolarHBondContact O-N 3.24Å; A41-W44 PolarHBondContact O-N 3.22Å; A41-H45 WeakPolarHBondContact O-CB 3.41Å; A41-H45 PolarHBondContact O-N 2.93Å
42E91.2Very high90.5Very high83 Ų8375.4 Ų75.439%0.38841%0.414SS..Hα-helixtrans-62.8-41173-72.3169.3-178.900111.3K38 L40 H45 N46K38-E42 WeakPolarHBondContact CD-OE1 3.14Å; K38-E42 WeakPolarHBondContact CE-OE1 3.35Å; K38-E42 HydrophobicContact CG-CG 4.46Å; K38-E42 IonicContact NZ-OE1 3.83Å; K38-E42 PolarHBondContact NZ-OE1 3.35Å; K38-E42 WeakPolarHBondContact O-CG 3.46Å; K38-E42 PolarHBondContact O-N 2.9Å; L40-E42 VanDerWaalsContact C-N 3.32Å; L40-E42 PolarHBondContact O-N 2.96Å; E42-H45 PolarHBondContact O-N 2.93Å; E42-N46 PolarHBondContact O-N 3.34Å; E42-N46 VanDerWaalsContact O-N 3.17Å; E42-N46 PolarHBondContact O-ND2 3.29Å; E42-N46 PolarHBondContact O-OD1 2.93Å
43L91.1Very high90.6Very high5 Ų571.9 Ų71.93%0.02641%0.405CS..Hα-helixtrans-61.8-45.5175.7-172.262.5000112.5Y39 L40 N46 A47 T80 L84 L85 V88Y39-L43 WeakPolarHBondContact O-CB 3.13Å; Y39-L43 PolarHBondContact O-N 3.26Å; L40-L43 WeakPolarHBondContact O-CB 3.4Å; L40-L43 PolarHBondContact O-N 2.9Å; L43-N46 PolarHBondContact O-N 3.26Å; L43-A47 PolarHBondContact O-N 2.92Å; L43-T80 HydrophobicContact CD2-CG2 3.58Å; L43-L84 HydrophobicContact CD1-CB 4.04Å; L43-L84 WeakPolarHBondContact CD1-O 3.4Å; L43-L84 HydrophobicContact CD2-CB 4.14Å; L43-L84 HydrophobicContact CG-CB 4.13Å; L43-L85 HydrophobicContact CD2-CD1 4.36Å; L43-V88 HydrophobicContact CD1-CG2 3.35Å
44W92.9Very high90.6Very high73 Ų7369.4 Ų69.428%0.27740%0.396SS..Hα-helixtrans-68.3-36.9179.8-60.6-12.6000112.2V36 L40 A41 N46 A47 V53 L78V36-W44 HydrophobicContact CB-CH2 4.35Å; V36-W44 HydrophobicContact CB-CZ3 4.29Å; V36-W44 HydrophobicContact CG1-CH2 3.78Å; V36-W44 HydrophobicContact CG1-CZ2 4.33Å; V36-W44 HydrophobicContact CG1-CZ3 3.91Å; V36-W44 HydrophobicContact CG2-CH2 3.73Å; V36-W44 HydrophobicContact CG2-CZ3 3.85Å; L40-W44 VanDerWaalsContact O-CD1 3.31Å; L40-W44 PolarHBondContact O-N 3.45Å; A41-W44 PolarHBondContact O-N 3.22Å; W44-N46 VanDerWaalsContact C-N 3.26Å; W44-N46 PolarHBondContact O-N 3.29Å; W44-A47 PolarHBondContact O-N 3.24Å; W44-V53 HydrophobicContact CB-CG1 4.04Å; W44-V53 VanDerWaalsContact CD1-CB 3.41Å; W44-V53 HydrophobicContact CD2-CG2 4.27Å; W44-V53 HydrophobicContact CG-CB 4.07Å; W44-V53 HydrophobicContact CG-CG1 3.89Å; W44-V53 HydrophobicContact CG-CG2 4.17Å; W44-L78 HydrophobicContact CH2-CD2 4.42Å; W44-L78 HydrophobicContact CZ2-CD2 3.78Å
45H90.4Very high90.7Very high159 Ų15974.9 Ų74.974%0.73642%0.417SS*.Hα-helixtrans-61-38.9174.9-17365.9000111.7A41 E42 A47A41-H45 WeakPolarHBondContact O-CB 3.41Å; A41-H45 PolarHBondContact O-N 2.93Å; E42-H45 PolarHBondContact O-N 2.93Å; H45-A47 VanDerWaalsContact C-N 3.34Å
46N87.6Confident90.6Very high116 Ų11672.3 Ų72.362%0.6241%0.412SS*.Hα-helixtrans-73.3-22.7178.6-64.9-14.7000113.6E42 L43 W44 G48E42-N46 PolarHBondContact O-N 3.34Å; E42-N46 VanDerWaalsContact O-N 3.17Å; E42-N46 PolarHBondContact O-ND2 3.29Å; E42-N46 PolarHBondContact O-OD1 2.93Å; L43-N46 PolarHBondContact O-N 3.26Å; W44-N46 VanDerWaalsContact C-N 3.26Å; W44-N46 PolarHBondContact O-N 3.29Å; N46-G48 VanDerWaalsContact C-N 3.26Å; N46-G48 PolarHBondContact O-N 3.42Å
47A88Confident90.5Very high25 Ų2574 Ų7421%0.20742%0.422CS..THydrogen-bonded Turntrans-73.4-14.7179.300000113.8L43 W44 H45 V53 L84L43-A47 PolarHBondContact O-N 2.92Å; W44-A47 PolarHBondContact O-N 3.24Å; H45-A47 VanDerWaalsContact C-N 3.34Å; A47-V53 HydrophobicContact CB-CG1 3.99Å; A47-L84 HydrophobicContact CB-CD1 4.05Å; A47-L84 HydrophobicContact CB-CD2 3.61Å
48G84.9Confident90.4Very high44 Ų4477.9 Ų77.945%0.45444%0.441SS..  trans86.8170.8-174.600000113.6N46 D50N46-G48 VanDerWaalsContact C-N 3.26Å; N46-G48 PolarHBondContact O-N 3.42Å; G48-D50 PolarHBondContact O-N 2.91Å
49S82.3Confident90.2Very high139 Ų13973.2 Ų73.297%0.97243%0.43SS*.THydrogen-bonded Turntrans-72.5-24.4-170.551.60000115.2
50D82.8Confident89.7Confident159 Ų15976.5 Ų76.585%0.8546%0.455SS*.THydrogen-bonded Turntrans-115.711.7-177.2-158.126.1000112.3G48G48-D50 PolarHBondContact O-N 2.91Å
51G83.1Confident88.3Confident35 Ų3579.9 Ų79.936%0.36148%0.479SS..  trans-78.4133.7-178.800000112.4V53G51-V53 PolarHBondContact O-N 3.31Å
52V90.4Very high86.5Confident113 Ų11384.3 Ų84.369%0.68550%0.501SS*.  trans-70.3114.3170.41790000109.2
53V93Very high84.6Confident37 Ų3784.8 Ų84.822%0.22451%0.514CS..  trans-93-10.2-175.8-61.80000115.6W44 A47 G51 D81 L84W44-V53 HydrophobicContact CB-CG1 4.04Å; W44-V53 VanDerWaalsContact CD1-CB 3.41Å; W44-V53 HydrophobicContact CD2-CG2 4.27Å; W44-V53 HydrophobicContact CG-CB 4.07Å; W44-V53 HydrophobicContact CG-CG1 3.89Å; W44-V53 HydrophobicContact CG-CG2 4.17Å; A47-V53 HydrophobicContact CB-CG1 3.99Å; G51-V53 PolarHBondContact O-N 3.31Å; V53-D81 PolarHBondContact O-N 2.64Å; V53-L84 HydrophobicContact CB-CD1 3.95Å; V53-L84 HydrophobicContact CG1-CD1 4.03Å
54G93Very high82.5Confident20 Ų2089.4 Ų89.421%0.20655%0.552CS.*EExtended strand (participates in β ladder)trans154.7-168.1-176.100000112.5V79G54-V79 CarbonylContact C-O 3.45Å; G54-V79 WeakPolarHBondContact CA-O 3.48Å
55K94.7Very high80.3Confident159 Ų15989.9 Ų89.969%0.69157%0.567SS**EExtended strand (participates in β ladder)trans-127.5140.6-179.2-62.1179.9-177.1177.60109.9V79K55-V79 PolarHBondContact N-O 2.97Å; K55-V79 PolarHBondContact O-N 3.47Å
56V94.9Very high78.2Confident81 Ų8191.1 Ų91.149%0.49157%0.573SS.*EExtended strand (participates in β ladder)trans-100.6121.6171.1-179.70000108.1I58 V76 L78 F101V56-I58 HydrophobicContact CG1-CG1 4.37Å; V56-V76 HydrophobicContact CG1-CG1 3.63Å; V56-L78 HydrophobicContact CG2-CD1 4.12Å; V56-F101 HydrophobicContact CG1-CE2 4.44Å
57V94.1Very high76Confident73 Ų7392.4 Ų92.444%0.44258%0.58SS.*EExtended strand (participates in β ladder)trans-103.3123178.8-177.60000108.2V76 T77 V79V57-V76 CarbonylContact O-C 3.56Å; V57-V76 WeakPolarHBondContact O-CA 3.28Å; V57-T77 PolarHBondContact N-O 2.66Å; V57-T77 PolarHBondContact O-N 2.88Å; V57-V79 HydrophobicContact CG2-CG2 4.03Å
58I91.6Very high74Confident105 Ų10595.6 Ų95.654%0.53862%0.615SS.*EExtended strand (participates in β ladder)trans-111.2108.6176.6-57.4173.2000107.2V56 V76V56-I58 HydrophobicContact CG1-CG1 4.37Å; I58-V76 HydrophobicContact CG1-CG1 4.17Å; I58-V76 HydrophobicContact CG1-CG2 4.12Å; I58-V76 HydrophobicContact CG2-CG2 4.2Å
59A88.8Confident72Confident54 Ų54100.3 Ų100.345%0.44663%0.63SS.*EExtended strand (participates in β ladder)trans-98.7102175.200000109.1S74 Q75A59-S74 WeakPolarHBondContact O-CA 3.42Å; A59-Q75 PolarHBondContact N-O 3.36Å; A59-Q75 PolarHBondContact O-N 3.15Å
60S81.5Confident70.1Confident81 Ų81103.8 Ų103.857%0.56663%0.628SS**  trans-83.7115.4171.151.30000109.9T62S60-T62 PolarHBondContact O-N 3.08Å; S60-T62 VanDerWaalsContact O-N 3.15Å
61S64.4Low68.3Low71 Ų7198.7 Ų98.750%0.49761%0.613SS.*  trans-75.399.7168.858.70000108.9S63S61-S63 PolarHBondContact O-N 2.93Å
62T56.3Low66.8Low139 Ų139101.9 Ų101.985%0.85363%0.627SS**  trans-83.216.3175.537.90000113.8S60S60-T62 PolarHBondContact O-N 3.08Å; S60-T62 VanDerWaalsContact O-N 3.15Å
63S50.7Low65.4Low93 Ų9399.4 Ų99.465%0.6562%0.624SS**  trans-106.5111.2-177.943.20000112.1S61 S65S61-S63 PolarHBondContact O-N 2.93Å; S63-S65 PolarHBondContact O-N 2.91Å
64A47.9Very low64.5Low101 Ų101100.1 Ų100.184%0.83563%0.631SS**  trans-59.589.4159.400000108.7Q66A64-Q66 PolarHBondContact O-N 2.88Å
65S46.2Very low64.2Low84 Ų84103 Ų10359%0.58764%0.639SS**  trans-69.796.5174.4-175.10000108.8S63 N67S63-S65 PolarHBondContact O-N 2.91Å; S65-N67 PolarHBondContact O-N 3.44Å
66Q46.2Very low64.1Low185 Ų18595.5 Ų95.586%0.86461%0.606SS**  trans-68.377.2156.8-70.8-161.6600108.1A64A64-Q66 PolarHBondContact O-N 2.88Å
67N42.2Very low64.1Low143 Ų14392.6 Ų92.677%0.76559%0.589SS**SBendtrans17891.2156.2-97-18.3000108.8S65 N69S65-N67 PolarHBondContact O-N 3.44Å; N67-N69 PolarHBondContact O-N 2.89Å
68G45.5Very low64.1Low91 Ų9189.5 Ų89.594%0.93857%0.57SS**SBendtrans53.5-22.4147.900000122.2
69N42Very low64.3Low143 Ų14386.1 Ų86.177%0.76555%0.554SS**  trans-112.698.5-176.9-115.98.3000107.7N67 G71N67-N69 PolarHBondContact O-N 2.89Å; N69-G71 PolarHBondContact O-N 2.93Å
70K43.9Very low64.5Low213 Ų21383.6 Ų83.693%0.92653%0.533SS*.  trans-59.590.1169.7-72.5-179.9178.2177.10108.4
71G43.5Very low65.1Low52 Ų5282.6 Ų82.654%0.53652%0.521SS..PPolyproline II helixtrans-57144.5167.200000109.1N69 G73N69-G71 PolarHBondContact O-N 2.93Å; G71-G73 PolarHBondContact O-N 3.19Å; G71-G73 VanDerWaalsContact O-N 3.09Å
72P51.4Low66.2Low102 Ų10281.4 Ų81.466%0.66251%0.513SS*.PPolyproline II helixtrans-59.9118.8-177.625.1-32.3000109
73G61.5Low67.7Low60 Ų6081.3 Ų81.362%0.61950%0.503SS*.SBendtrans-55.4148.5172.100000110.9G71G71-G73 PolarHBondContact O-N 3.19Å; G71-G73 VanDerWaalsContact O-N 3.09Å
74S74.5Confident69.4Low52 Ų5277.4 Ų77.436%0.36448%0.475SS..SBendtrans21.797.9178.7-162.40000115.8A59A59-S74 WeakPolarHBondContact O-CA 3.42Å
75Q86.7Confident71.3Confident81 Ų8173.3 Ų73.338%0.37944%0.439SS..EExtended strand (participates in β ladder)trans-87.1128.5176.7-177.6175.9-4.600110.3A59 Q100A59-Q75 PolarHBondContact N-O 3.36Å; A59-Q75 PolarHBondContact O-N 3.15Å; Q75-Q100 HydrophobicContact CG-CG 4.46Å
76V92.6Very high73.1Confident1 Ų175.1 Ų75.11%0.00644%0.442CS..EExtended strand (participates in β ladder)trans-113.9127.8175.2-177.30000109.2W32 V56 V57 I58 F101 I103W32-V76 HydrophobicContact CH2-CG2 4.23Å; W32-V76 HydrophobicContact CZ3-CG1 4.36Å; W32-V76 HydrophobicContact CZ3-CG2 4.4Å; V56-V76 HydrophobicContact CG1-CG1 3.63Å; V57-V76 CarbonylContact O-C 3.56Å; V57-V76 WeakPolarHBondContact O-CA 3.28Å; I58-V76 HydrophobicContact CG1-CG1 4.17Å; I58-V76 HydrophobicContact CG1-CG2 4.12Å; I58-V76 HydrophobicContact CG2-CG2 4.2Å; V76-F101 HydrophobicContact CB-CB 3.99Å; V76-F101 HydrophobicContact CB-CD2 4.37Å; V76-F101 HydrophobicContact CB-CG 4.49Å; V76-F101 HydrophobicContact CG1-CB 4.08Å; V76-F101 HydrophobicContact CG1-CD2 3.56Å; V76-F101 HydrophobicContact CG1-CE2 4.25Å; V76-F101 HydrophobicContact CG1-CG 4.03Å; V76-F101 PolarHBondContact O-N 2.95Å; V76-I103 HydrophobicContact CG2-CD1 4.01Å
77T94Very high74.9Confident21 Ų2172.6 Ų72.613%0.12943%0.43CS..EExtended strand (participates in β ladder)trans-132130-176.6-56.40000110.3V57 E98 H99V57-T77 PolarHBondContact N-O 2.66Å; V57-T77 PolarHBondContact O-N 2.88Å; T77-E98 HydrophobicContact CG2-CB 4.15Å; T77-H99 CarbonylContact C-O 3.4Å; T77-H99 WeakPolarHBondContact CA-O 3.41Å
78L95.9Very high76.7Confident7 Ų768.4 Ų68.44%0.03741%0.409CS..EExtended strand (participates in β ladder)trans-87.7124.5169.2171.172.3000109.6L40 W44 V56 E98 H99 F101L40-L78 HydrophobicContact CD1-CD2 3.81Å; W44-L78 HydrophobicContact CH2-CD2 4.42Å; W44-L78 HydrophobicContact CZ2-CD2 3.78Å; V56-L78 HydrophobicContact CG2-CD1 4.12Å; L78-E98 CarbonylContact O-C 3.55Å; L78-E98 WeakPolarHBondContact O-CA 3.36Å; L78-H99 HydrophobicContact CB-CB 4.34Å; L78-H99 PolarHBondContact N-O 3.3Å; L78-H99 PolarHBondContact O-N 2.94Å; L78-F101 HydrophobicContact CB-CD1 4.34Å; L78-F101 HydrophobicContact CB-CE1 3.46Å; L78-F101 VanDerWaalsContact CB-CE1 3.46Å; L78-F101 HydrophobicContact CB-CZ 3.82Å; L78-F101 HydrophobicContact CD2-CE1 4.23Å; L78-F101 HydrophobicContact CG-CE1 4.42Å
79V95Very high78.3Confident35 Ų3566.1 Ų66.121%0.21239%0.386CS..EExtended strand (participates in β ladder)trans-108.3108.8172.5-173.60000107.9G54 K55 V57 K97 E98G54-V79 CarbonylContact C-O 3.45Å; G54-V79 WeakPolarHBondContact CA-O 3.48Å; K55-V79 PolarHBondContact N-O 2.97Å; K55-V79 PolarHBondContact O-N 3.47Å; V57-V79 HydrophobicContact CG2-CG2 4.03Å; V79-K97 WeakPolarHBondContact CA-O 3.47Å; V79-K97 HydrophobicContact CG1-CG 4.21Å; V79-E98 HydrophobicContact CG2-CG 4.33Å
80T93.5Very high79.8Confident1 Ų167.6 Ų67.61%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-73.7142179.6-51.80000110.5L43 L85 K97L43-T80 HydrophobicContact CD2-CG2 3.58Å; T80-L85 HydrophobicContact CG2-CD1 3.36Å; T80-K97 PolarHBondContact N-O 3.11Å
81D92.5Very high81.4Confident59 Ų5959.8 Ų59.832%0.31636%0.361SS..  trans-67.7142.9-178.4-171.239.1000112.7V53 L84 L85V53-D81 PolarHBondContact O-N 2.64Å; D81-L84 PolarHBondContact O-N 3.13Å; D81-L85 WeakPolarHBondContact O-CD1 3.35Å; D81-L85 PolarHBondContact O-N 3.38Å
82S88.7Confident83Confident47 Ų4757.4 Ų57.433%0.32934%0.336SS..Hα-helixtrans-74.4-29.6-170.1-52.80000112.3L85 N86 K97S82-L85 PolarHBondContact O-N 2.96Å; S82-N86 PolarHBondContact O-N 3.42Å; S82-N86 PolarHBondContact O-ND2 3.19Å; S82-K97 PolarHBondContact OG-NZ 3Å; S82-K97 VanDerWaalsContact OG-NZ 3.15Å
83E86.8Confident84.4Confident137 Ų13757.6 Ų57.664%0.6433%0.331SS*.Hα-helixtrans-64.9-41.5177-63.7-172.2175.600111.5L85 N86 Q87E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 3.18Å; E83-N86 PolarHBondContact O-N 3.09Å; E83-Q87 WeakPolarHBondContact O-CG 3.21Å; E83-Q87 PolarHBondContact O-N 3.01Å
84L86.5Confident85.6Confident11 Ų1155.7 Ų55.76%0.05831%0.307CS..Hα-helixtrans-63.1-40.3176.2-68.1-177000112.2L43 A47 V53 D81 N86 Q87L43-L84 HydrophobicContact CD1-CB 4.04Å; L43-L84 WeakPolarHBondContact CD1-O 3.4Å; L43-L84 HydrophobicContact CD2-CB 4.14Å; L43-L84 HydrophobicContact CG-CB 4.13Å; A47-L84 HydrophobicContact CB-CD1 4.05Å; A47-L84 HydrophobicContact CB-CD2 3.61Å; V53-L84 HydrophobicContact CB-CD1 3.95Å; V53-L84 HydrophobicContact CG1-CD1 4.03Å; D81-L84 PolarHBondContact O-N 3.13Å; L84-N86 VanDerWaalsContact C-N 3.26Å; L84-N86 PolarHBondContact O-N 3.48Å; L84-Q87 PolarHBondContact O-N 3.25Å
85L87.4Confident86.4Confident15 Ų1553.6 Ų53.68%0.07929%0.291CS..Hα-helixtrans-62-36.8176.5-87.378.1000111.6L43 T80 D81 S82 E83 G92L43-L85 HydrophobicContact CD2-CD1 4.36Å; T80-L85 HydrophobicContact CG2-CD1 3.36Å; D81-L85 WeakPolarHBondContact O-CD1 3.35Å; D81-L85 PolarHBondContact O-N 3.38Å; S82-L85 PolarHBondContact O-N 2.96Å; E83-L85 VanDerWaalsContact C-N 3.34Å; E83-L85 PolarHBondContact O-N 3.18Å; L85-G92 VanDerWaalsContact O-CA 3.28Å; L85-G92 WeakPolarHBondContact O-CA 3.48Å
86N85.4Confident86.6Confident121 Ų12149.9 Ų49.965%0.64727%0.274SS*.Hα-helixtrans-71.9-29.8-179.2-67.2-21.6000112.8S82 E83 L84 V88 G89S82-N86 PolarHBondContact O-N 3.42Å; S82-N86 PolarHBondContact O-ND2 3.19Å; E83-N86 PolarHBondContact O-N 3.09Å; L84-N86 VanDerWaalsContact C-N 3.26Å; L84-N86 PolarHBondContact O-N 3.48Å; N86-V88 VanDerWaalsContact C-N 3.26Å; N86-V88 PolarHBondContact O-N 3.34Å; N86-G89 PolarHBondContact O-N 3.38Å
87Q83Confident86.6Confident132 Ų13254.7 Ų54.762%0.61730%0.295SS*.Hα-helixtrans-67.9-22.4179.5-70.8174.219.400113.8E83 L84 G89E83-Q87 WeakPolarHBondContact O-CG 3.21Å; E83-Q87 PolarHBondContact O-N 3.01Å; L84-Q87 PolarHBondContact O-N 3.25Å; Q87-G89 PolarHBondContact O-N 3.2Å
88V80.7Confident86.6Confident55 Ų5559.2 Ų59.233%0.33332%0.315SS..THydrogen-bonded Turntrans-77.8-3-178.1-172.70000112.5L43 N86 I95L43-V88 HydrophobicContact CD1-CG2 3.35Å; N86-V88 VanDerWaalsContact C-N 3.26Å; N86-V88 PolarHBondContact O-N 3.34Å; V88-I95 HydrophobicContact CG1-CD1 4.34Å; V88-I95 HydrophobicContact CG2-CD1 4.47Å
89G78.9Confident86.5Confident43 Ų4358.9 Ų58.944%0.44331%0.313SS..G310 helixtrans68.2-145.4-17700000112.4N86 Q87 S91 G92N86-G89 PolarHBondContact O-N 3.38Å; Q87-G89 PolarHBondContact O-N 3.2Å; G89-S91 PolarHBondContact O-N 3.46Å; G89-S91 VanDerWaalsContact O-N 3.1Å; G89-G92 WeakPolarHBondContact O-CA 3.48Å; G89-G92 PolarHBondContact O-N 3.47Å
90E74.3Confident86.5Confident174 Ų17461.9 Ų61.981%0.81333%0.325SS*.G310 helixtrans-56.1-32.6-174.3-65.8-174.4167.700113.7G92 N93 L94E90-G92 VanDerWaalsContact C-N 3.3Å; E90-G92 PolarHBondContact O-N 2.83Å; E90-N93 WeakPolarHBondContact O-CB 3.43Å; E90-N93 PolarHBondContact O-N 3.46Å; E90-L94 WeakPolarHBondContact O-CD1 3.46Å
91S75.7Confident86.5Confident50 Ų5062.8 Ų62.835%0.3533%0.329SS..G310 helixtrans-72.8-22.3178.1-66.60000113.3G89 N93 L94G89-S91 PolarHBondContact O-N 3.46Å; G89-S91 VanDerWaalsContact O-N 3.1Å; S91-N93 PolarHBondContact O-N 3.26Å; S91-L94 WeakPolarHBondContact O-CA 3.25Å; S91-L94 PolarHBondContact O-N 3.15Å
92G78.1Confident86.5Confident1 Ų164.7 Ų64.71%0.0134%0.338CS..G310 helixtrans-57.9-37.3173.400000111.7L85 G89 E90 L94 I95 R205L85-G92 VanDerWaalsContact O-CA 3.28Å; L85-G92 WeakPolarHBondContact O-CA 3.48Å; G89-G92 WeakPolarHBondContact O-CA 3.48Å; G89-G92 PolarHBondContact O-N 3.47Å; E90-G92 VanDerWaalsContact C-N 3.3Å; E90-G92 PolarHBondContact O-N 2.83Å; G92-L94 PolarHBondContact O-N 3.16Å; G92-L94 VanDerWaalsContact O-N 3.11Å; G92-I95 PolarHBondContact O-N 3.46Å; G92-I95 VanDerWaalsContact O-N 3.09Å; G92-R205 PolarHBondContact O-NH2 3.2Å
93N81.7Confident86.5Confident106 Ų10665.3 Ų65.357%0.56734%0.337SS*.G310 helixtrans-68.5-0.7172.9-72.1-35.7000114.8E90 S91 R205E90-N93 WeakPolarHBondContact O-CB 3.43Å; E90-N93 PolarHBondContact O-N 3.46Å; S91-N93 PolarHBondContact O-N 3.26Å; N93-R205 VanDerWaalsContact CA-CZ 3.49Å; N93-R205 WeakPolarHBondContact O-CD 3.14Å; N93-R205 VanDerWaalsContact O-CG 3.3Å; N93-R205 WeakPolarHBondContact O-CG 3.18Å; N93-R205 PolarHBondContact O-NE 2.75Å; N93-R205 PolarHBondContact O-NH1 3.06Å; N93-R205 VanDerWaalsContact O-NH1 3.08Å; N93-R205 PolarHBondContact O-NH2 3.33Å
94L86.6Confident86.3Confident21 Ų2164 Ų6411%0.1133%0.331CS..G310 helixtrans-108.7-7.9171-64.7100000114E90 S91 G92 R205 M208 L209E90-L94 WeakPolarHBondContact O-CD1 3.46Å; S91-L94 WeakPolarHBondContact O-CA 3.25Å; S91-L94 PolarHBondContact O-N 3.15Å; G92-L94 PolarHBondContact O-N 3.16Å; G92-L94 VanDerWaalsContact O-N 3.11Å; L94-R205 VanDerWaalsContact CA-CG 3.41Å; L94-R205 HydrophobicContact CB-CG 4.37Å; L94-R205 CarbonylContact O-C 3.57Å; L94-R205 WeakPolarHBondContact O-CG 3.19Å; L94-M208 HydrophobicContact CD2-CB 3.49Å; L94-M208 VanDerWaalsContact CD2-CB 3.49Å; L94-M208 HydrophobicContact CD2-CE 4.32Å; L94-L209 HydrophobicContact CB-CB 3.87Å; L94-L209 HydrophobicContact CB-CD1 4.11Å
95I90.5Very high85.5Confident7 Ų768 Ų684%0.03636%0.356CS..SBendtrans-86.4127.5179.8-62.1171.7000109.4Y39 L40 V88 G92 R205 L209Y39-I95 HydrophobicContact CD2-CG1 4.27Å; Y39-I95 HydrophobicContact CD2-CG2 3.95Å; Y39-I95 HydrophobicContact CE2-CG2 3.88Å; L40-I95 HydrophobicContact CD2-CG2 4.46Å; V88-I95 HydrophobicContact CG1-CD1 4.34Å; V88-I95 HydrophobicContact CG2-CD1 4.47Å; G92-I95 PolarHBondContact O-N 3.46Å; G92-I95 VanDerWaalsContact O-N 3.09Å; I95-R205 VanDerWaalsContact O-CZ 3.27Å; I95-R205 PolarHBondContact O-NE 3.31Å; I95-R205 PolarHBondContact O-NH2 3.45Å; I95-L209 HydrophobicContact CG1-CD2 3.97Å
96P91.7Very high84.2Confident3 Ų373.8 Ų73.82%0.01940%0.398CS..  trans-62.8144.1172.8-22.934.9000111.9H99 P201 Y206P96-H99 PolarHBondContact O-CE1 3.24Å; P96-P201 HydrophobicContact CB-CG 3.56Å; P96-P201 HydrophobicContact CG-CG 3.91Å; P96-Y206 HydrophobicContact CG-CD2 4.25Å; P96-Y206 HydrophobicContact CG-CG 4.35Å
97K91.9Very high82.5Confident103 Ų10372.1 Ų72.145%0.44840%0.401SS..SBendtrans-75.1-33.7175.8-173.4172.9179.1168.30112.5V79 T80 S82V79-K97 WeakPolarHBondContact CA-O 3.47Å; V79-K97 HydrophobicContact CG1-CG 4.21Å; T80-K97 PolarHBondContact N-O 3.11Å; S82-K97 PolarHBondContact OG-NZ 3Å; S82-K97 VanDerWaalsContact OG-NZ 3.15Å
98E93.7Very high80.5Confident115 Ų11570.2 Ų70.254%0.53740%0.402SS..EExtended strand (participates in β ladder)trans-116.7140.3-173.8-60.7-178.8-177.400111T77 L78 V79 P201T77-E98 HydrophobicContact CG2-CB 4.15Å; L78-E98 CarbonylContact O-C 3.55Å; L78-E98 WeakPolarHBondContact O-CA 3.36Å; V79-E98 HydrophobicContact CG2-CG 4.33Å; E98-P201 WeakPolarHBondContact O-CD 3.28Å
99H94.8Very high78.5Confident1 Ų172.6 Ų72.61%0.00542%0.421CS..EExtended strand (participates in β ladder)trans-137.8126.6178.9-60.779.4000110.3Y39 T77 L78 P96 C198 R199Y39-H99 AromaticContact CE2-NE2 3.52Å; Y39-H99 AromaticContact CZ-NE2 3.51Å; Y39-H99 PolarHBondContact OH-CD2 3.42Å; Y39-H99 PolarHBondContact OH-NE2 3.36Å; T77-H99 CarbonylContact C-O 3.4Å; T77-H99 WeakPolarHBondContact CA-O 3.41Å; L78-H99 HydrophobicContact CB-CB 4.34Å; L78-H99 PolarHBondContact N-O 3.3Å; L78-H99 PolarHBondContact O-N 2.94Å; P96-H99 PolarHBondContact O-CE1 3.24Å; H99-C198 WeakPolarHBondContact CB-SG 3.31Å; H99-R199 WeakPolarHBondContact CA-O 3.45Å
100Q93.8Very high76.5Confident98 Ų9877.8 Ų77.846%0.45844%0.439SS..EExtended strand (participates in β ladder)trans-84.9138.3-178.4-171.41779.700110.8Q75 R199Q75-Q100 HydrophobicContact CG-CG 4.46Å; Q100-R199 PolarHBondContact N-O 3.44Å; Q100-R199 VanDerWaalsContact N-O 3.11Å; Q100-R199 PolarHBondContact O-N 3.25Å
101F94.2Very high74.9Confident20 Ų2075.1 Ų75.19%0.08844%0.44CS..EExtended strand (participates in β ladder)trans-90.9121.3172.6-729000109.5V34 V56 V76 L78 A196 E197 C198V34-F101 HydrophobicContact CG1-CD2 4.37Å; V34-F101 HydrophobicContact CG1-CE1 4.27Å; V34-F101 HydrophobicContact CG1-CE2 4.04Å; V34-F101 HydrophobicContact CG1-CZ 3.98Å; V34-F101 HydrophobicContact CG2-CE2 4.13Å; V56-F101 HydrophobicContact CG1-CE2 4.44Å; V76-F101 HydrophobicContact CB-CB 3.99Å; V76-F101 HydrophobicContact CB-CD2 4.37Å; V76-F101 HydrophobicContact CB-CG 4.49Å; V76-F101 HydrophobicContact CG1-CB 4.08Å; V76-F101 HydrophobicContact CG1-CD2 3.56Å; V76-F101 HydrophobicContact CG1-CE2 4.25Å; V76-F101 HydrophobicContact CG1-CG 4.03Å; V76-F101 PolarHBondContact O-N 2.95Å; L78-F101 HydrophobicContact CB-CD1 4.34Å; L78-F101 HydrophobicContact CB-CE1 3.46Å; L78-F101 VanDerWaalsContact CB-CE1 3.46Å; L78-F101 HydrophobicContact CB-CZ 3.82Å; L78-F101 HydrophobicContact CD2-CE1 4.23Å; L78-F101 HydrophobicContact CG-CE1 4.42Å; F101-A196 HydrophobicContact CB-CB 4.29Å; F101-A196 HydrophobicContact CD2-CB 4.5Å; F101-E197 WeakPolarHBondContact CA-O 3.36Å; F101-C198 HydrophobicContact CD1-CB 3.79Å; F101-C198 HydrophobicContact CE1-CB 3.63Å
102L91.4Very high73.4Confident99 Ų9979.1 Ų79.152%0.51846%0.462SS..EExtended strand (participates in β ladder)trans-89102.8169.2-17963.8000108.6Q104 A196 E197L102-Q104 PolarHBondContact O-N 3.06Å; L102-A196 CarbonylContact O-C 3.6Å; L102-A196 VanDerWaalsContact O-CA 3.26Å; L102-A196 WeakPolarHBondContact O-CA 3.44Å; L102-E197 PolarHBondContact N-O 2.84Å; L102-E197 PolarHBondContact O-N 3.14Å
103I89.3Confident71.8Confident60 Ų6084.7 Ų84.731%0.30850%0.498SS..EExtended strand (participates in β ladder)trans-71.9123.5178-56.5175.2000108.7W32 V76 T105W32-I103 HydrophobicContact CH2-CD1 4.24Å; V76-I103 HydrophobicContact CG2-CD1 4.01Å; I103-T105 PolarHBondContact O-N 2.97Å
104Q82.6Confident69.8Low109 Ų10982.4 Ų82.451%0.50950%0.499SS..EExtended strand (participates in β ladder)trans-82.2102.6175.6-62.8-176.8-31.500108.5L102 R195L102-Q104 PolarHBondContact O-N 3.06Å; Q104-R195 HydrophobicContact CB-CB 4.16Å; Q104-R195 PolarHBondContact N-O 3.01Å
105T69.5Low67.8Low95 Ų9588.2 Ų88.258%0.58354%0.536SS*.  trans-74141.8166.357.10000108.6I103 A107I103-T105 PolarHBondContact O-N 2.97Å; T105-A107 PolarHBondContact O-N 3.21Å
106S60.9Low65.5Low137 Ų13794 Ų9496%0.95857%0.572SS**THydrogen-bonded Turntrans-644.9-177.940.10000114.6
107A49.8Very low63.1Low86 Ų86104.7 Ų104.771%0.71161%0.611SS**THydrogen-bonded Turntrans-120.816.1-166.100000115.2T105T105-A107 PolarHBondContact O-N 3.21Å
108S39.8Very low60.6Low91 Ų91105.6 Ų105.664%0.63663%0.628SS**  trans-141.369.4-175.9-490000113.9N110S108-N110 VanDerWaalsContact C-N 3.31Å; S108-N110 PolarHBondContact O-N 3.15Å; S108-N110 VanDerWaalsContact O-N 3.12Å
109S39.4Very low58.2Low106 Ų106103.6 Ų103.674%0.74164%0.638SS**  trans-7091.3151.354.30000108.1
110N36.3Very low56Low152 Ų152112.6 Ų112.681%0.81368%0.68SS**  trans173149.9146.7-89-14.5000112.3S108S108-N110 VanDerWaalsContact C-N 3.31Å; S108-N110 PolarHBondContact O-N 3.15Å; S108-N110 VanDerWaalsContact O-N 3.12Å
111S42.2Very low53.4Low118 Ų118114.6 Ų114.683%0.82570%0.7SS**  trans87.584.8171.578.10000117.3
112T43.7Very low51.3Low133 Ų133119.3 Ų119.382%0.81673%0.73SS**  trans-83.6127.8142.8-42.90000106.7G114T112-G114 VanDerWaalsContact C-N 3.27Å; T112-G114 PolarHBondContact O-N 3.43Å
113P44.2Very low48.7Very low118 Ų118120.7 Ų120.777%0.76675%0.745SS**  trans-75.790.5164.922.4-14.4000107.1T115P113-T115 PolarHBondContact O-N 2.83Å; P113-T115 VanDerWaalsContact O-N 3.11Å
114G40.1Very low46.7Very low58 Ų58122.7 Ų122.760%0.59876%0.764SS**  trans-64.3106.7164.900000107.9T112 V116T112-G114 VanDerWaalsContact C-N 3.27Å; T112-G114 PolarHBondContact O-N 3.43Å; G114-V116 VanDerWaalsContact C-N 3.29Å; G114-V116 PolarHBondContact O-N 3.48Å
115T43.6Very low44.5Very low144 Ų144123 Ų12388%0.88378%0.778SS**  trans-6796.2165.5-60.10000106.8P113 R117P113-T115 PolarHBondContact O-N 2.83Å; P113-T115 VanDerWaalsContact O-N 3.11Å; T115-R117 PolarHBondContact O-N 3.27Å
116V41.8Very low43.3Very low129 Ų129124.8 Ų124.878%0.78279%0.789SS**  trans-73.4114.1174.3177.20000107.6G114G114-V116 VanDerWaalsContact C-N 3.29Å; G114-V116 PolarHBondContact O-N 3.48Å
117R41.5Very low42.4Very low226 Ų226124.2 Ų124.285%0.85378%0.78SS**  trans-68.9126.8165-173.4178.8-177.9-144.51.1107.8T115 G119T115-R117 PolarHBondContact O-N 3.27Å; R117-G119 PolarHBondContact O-N 3.33Å
118P40.5Very low41.7Very low122 Ų122128.5 Ų128.579%0.79279%0.785SS**SBendtrans-73.9130.3178.525.3-24.2000109.6
119G43.8Very low41.7Very low74 Ų74135 Ų13576%0.76380%0.796SS**  trans115.667.7169.500000115.6R117R117-G119 PolarHBondContact O-N 3.33Å
120Q48.6Very low41.5Very low189 Ų189141 Ų14188%0.88380%0.802SS**  trans-163.3114.3145.1-117.5171.92300110.6
121T39.2Very low41.8Very low141 Ų141140.2 Ų140.287%0.86580%0.803SS**  trans-85.6115.1171.847.10000109.3
122T48.8Very low41.8Very low118 Ų118137.4 Ų137.472%0.72479%0.793SS**  trans-156.3128.3156.820.30000109.4
123P37.7Very low41.8Very low128 Ų128135.4 Ų135.483%0.83179%0.79SS**  trans-95.2114173.733.8-24.1000109
124S46.4Very low42.3Very low102 Ų102133.2 Ų133.271%0.71377%0.771SS**  trans-164.7125.8161.541.20000113.1
125S36.8Very low42.6Very low115 Ų115136.3 Ų136.380%0.80478%0.784SS**  trans-19122.916858.80000116.6
126T43.9Very low43.4Very low133 Ų133133.4 Ų133.482%0.81678%0.782SS**  trans-150.2103.8149.3-65.90000110.5Q128T126-Q128 PolarHBondContact O-N 2.77Å
127V42.2Very low44.5Very low126 Ų126133.6 Ų133.676%0.76478%0.775SS**  trans13.496.7148.2-171.90000115.5R129V127-R129 PolarHBondContact O-N 3.36Å
128Q35.7Very low45.9Very low176 Ų176128.5 Ų128.582%0.82276%0.76SS**  trans-64.796.2165.4-159.9166.42.800108.5T126 R130T126-Q128 PolarHBondContact O-N 2.77Å; Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.04Å
129R38.3Very low47.8Very low227 Ų227126 Ų12686%0.85774%0.74SS**  trans-62.497.6166.1-78.9-171.9-160.2-171.54.9107.8V127 T131V127-R129 PolarHBondContact O-N 3.36Å; R129-T131 PolarHBondContact O-N 3.4Å
130R36.4Very low49.8Very low231 Ų231126.4 Ų126.487%0.87272%0.724SS**  trans-61.1102.2165.9-69.7-178.8179.1-169.9-0.7107.8Q128 G132Q128-R130 VanDerWaalsContact C-N 3.31Å; Q128-R130 PolarHBondContact O-N 3.04Å; R130-G132 PolarHBondContact O-N 3.31Å
131T43Very low51.5Low137 Ų137120.2 Ų120.284%0.8470%0.696SS**  trans-72.389.4157.851.20000106.4R129 A133R129-T131 PolarHBondContact O-N 3.4Å; T131-A133 PolarHBondContact O-N 3.17Å
132G41.4Very low53.8Low59 Ų59119.1 Ų119.161%0.60868%0.684SS**  trans-56.9129.3173.400000109.5R130 I134R130-G132 PolarHBondContact O-N 3.31Å; G132-I134 PolarHBondContact O-N 2.91Å; G132-I134 VanDerWaalsContact O-N 3.13Å
133A44.2Very low55.5Low91 Ų91115.2 Ų115.275%0.75266%0.662SS**  trans-57.7116.716800000108.1T131 S135T131-A133 PolarHBondContact O-N 3.17Å; A133-S135 PolarHBondContact O-N 3.09Å
134I53.5Low57.7Low72 Ų72114.1 Ų114.137%0.36965%0.645SS.*  trans-73.661.7176.249.7155.3000110.6G132 G136 Q137 R195G132-I134 PolarHBondContact O-N 2.91Å; G132-I134 VanDerWaalsContact O-N 3.13Å; I134-G136 PolarHBondContact O-N 3.39Å; I134-Q137 HydrophobicContact CB-CB 4.12Å; I134-Q137 HydrophobicContact CB-CG 4.27Å; I134-Q137 HydrophobicContact CD1-CB 4.35Å; I134-Q137 VanDerWaalsContact CG2-OE1 3.3Å; I134-Q137 PolarHBondContact O-N 3.18Å; I134-R195 VanDerWaalsContact CD1-NH2 3.27Å
135S47.7Very low59Low123 Ų123113.3 Ų113.386%0.8663%0.633SS**THydrogen-bonded Turntrans-62.8117.9170.7-179.80000108.6A133A133-S135 PolarHBondContact O-N 3.09Å
136G59.3Low60.5Low83 Ų83113.4 Ų113.486%0.85663%0.625SS**THydrogen-bonded Turntrans95.73.917800000116.6I134I134-G136 PolarHBondContact O-N 3.39Å
137Q66.2Low61.1Low133 Ų133112.7 Ų112.762%0.62162%0.615SS**PPolyproline II helixtrans-101.6118.3171-61.3-176.6-6.700110.9I134I134-Q137 HydrophobicContact CB-CB 4.12Å; I134-Q137 HydrophobicContact CB-CG 4.27Å; I134-Q137 HydrophobicContact CD1-CB 4.35Å; I134-Q137 VanDerWaalsContact CG2-OE1 3.3Å; I134-Q137 PolarHBondContact O-N 3.18Å
138E70.3Confident61.3Low118 Ų118110.1 Ų110.155%0.55161%0.614SS**PPolyproline II helixtrans-87132.4171.3-177.5165.8-126.500109.6I140 R191E138-I140 HydrophobicContact CG-CG2 4.41Å; E138-R191 VanDerWaalsContact CD-CD 3.49Å; E138-R191 VanDerWaalsContact CD-CG 3.45Å; E138-R191 HydrophobicContact CG-CB 4.43Å; E138-R191 HydrophobicContact CG-CG 4.2Å; E138-R191 WeakPolarHBondContact OE1-CB 3.42Å; E138-R191 WeakPolarHBondContact OE1-CD 3.13Å; E138-R191 WeakPolarHBondContact OE1-CG 3.42Å; E138-R191 IonicContact OE1-NE 2.8Å; E138-R191 PolarHBondContact OE1-NE 3.22Å; E138-R191 IonicContact OE2-NE 2.75Å; E138-R191 PolarHBondContact OE2-NE 2.71Å
139L80.9Confident61.2Low69 Ų69107.8 Ų107.836%0.36162%0.616SS.*PPolyproline II helixtrans-89132.6169-70.1179.8000108.8L33 V192 R195L33-L139 HydrophobicContact CD2-CD1 3.78Å; L139-V192 HydrophobicContact CB-CB 3.87Å; L139-V192 HydrophobicContact CB-CG2 3.64Å; L139-V192 PolarHBondContact O-N 2.86Å; L139-R195 VanDerWaalsContact CD1-CZ 3.44Å; L139-R195 VanDerWaalsContact CG-NH2 3.27Å
140I84.5Confident60.9Low83 Ų83101.5 Ų101.543%0.42661%0.613SS.*EExtended strand (participates in β ladder)trans-118.4145.6173.454.3171.4000109.9E138 L142 L188 G190 R191E138-I140 HydrophobicContact CG-CG2 4.41Å; I140-L142 HydrophobicContact CD1-CD2 4.22Å; I140-L188 HydrophobicContact CB-CD1 3.64Å; I140-L188 HydrophobicContact CD1-CD1 3.79Å; I140-L188 HydrophobicContact CG1-CD1 4.2Å; I140-L188 HydrophobicContact CG2-CD1 4.04Å; I140-G190 WeakPolarHBondContact CA-O 3.5Å; I140-R191 HydrophobicContact CG2-CG 4.05Å
141I85.9Confident60.8Low59 Ų5999.1 Ų99.130%0.30361%0.611SS.*EExtended strand (participates in β ladder)trans-97.5121.7174.4-55.4-57.4000108.3V31 F189 G190 V192V31-I141 HydrophobicContact CG2-CG1 3.86Å; I141-F189 HydrophobicContact CB-CB 4.02Å; I141-F189 HydrophobicContact CB-CD1 4.5Å; I141-F189 HydrophobicContact CG2-CB 3.87Å; I141-F189 HydrophobicContact CG2-CD1 4.32Å; I141-F189 HydrophobicContact CG2-CG 4.27Å; I141-F189 WeakPolarHBondContact O-CB 3.39Å; I141-F189 PolarHBondContact O-N 3.38Å; I141-G190 PolarHBondContact N-O 2.79Å; I141-V192 HydrophobicContact CD1-CG2 4.09Å; I141-V192 HydrophobicContact CG1-CG2 4.26Å
142L87.2Confident60.2Low119 Ų11999 Ų9962%0.62361%0.611SS**EExtended strand (participates in β ladder)trans-101.4134.1172.6-59.6177.7000108.5I140 S187 L188I140-L142 HydrophobicContact CD1-CD2 4.22Å; L142-S187 WeakPolarHBondContact CA-O 3.32Å; L142-L188 HydrophobicContact CD2-CD1 3.75Å
143C84.5Confident60Low36 Ų36103.5 Ų103.524%0.24362%0.621CS.*EExtended strand (participates in β ladder)trans-115.4145.7175.3-72.90000109.8S187 F189C143-S187 PolarHBondContact N-O 3.45Å; C143-S187 PolarHBondContact O-N 3.17Å; C143-F189 WeakPolarHBondContact SG-CD2 3.47Å
144E83.2Confident59.7Low105 Ų105103.8 Ų103.849%0.49162%0.617SS.*EExtended strand (participates in β ladder)trans-123115.2176.7-175.4173.5-155.700106.8R184 L186E144-R184 HydrophobicContact CG-CB 4.22Å; E144-R184 WeakPolarHBondContact OE1-CD 3.33Å; E144-R184 IonicContact OE1-CZ 2.9Å; E144-R184 IonicContact OE1-NE 2.72Å; E144-R184 IonicContact OE1-NH1 3.69Å; E144-R184 PolarHBondContact OE1-NH1 3.11Å; E144-R184 IonicContact OE2-NH1 3.23Å; E144-L186 HydrophobicContact CB-CD2 4.08Å; E144-L186 HydrophobicContact CG-CD2 3.98Å
145D73.8Confident58.8Low85 Ų85109.9 Ų109.946%0.45564%0.641SS.*EExtended strand (participates in β ladder)trans-101.2123175.8-60.5-40.4000108.5L147 R185D145-L147 PolarHBondContact O-N 3Å; D145-R185 PolarHBondContact N-O 3.02Å; D145-R185 PolarHBondContact O-N 3.45Å
146D68.2Low58.4Low117 Ų117109 Ų10963%0.62663%0.632SS**EExtended strand (participates in β ladder)trans-75.5120.4166.2-88.8-29000108.1G148 R184D146-G148 PolarHBondContact O-N 3.39Å; D146-R184 IonicContact OD1-NE 3.07Å
147L56.2Low57.2Low117 Ų117110.1 Ų110.161%0.61363%0.627SS**THydrogen-bonded Turntrans-64.216.9177.5-97.978.7000114.7D145 S183 R185D145-L147 PolarHBondContact O-N 3Å; L147-S183 PolarHBondContact N-O 3.31Å; L147-R185 HydrophobicContact CD1-CB 3.6Å
148G46.6Very low55.9Low72 Ų72109.2 Ų109.274%0.74264%0.635SS**THydrogen-bonded Turntrans-96.1-0.5-166.400000118D146D146-G148 PolarHBondContact O-N 3.39Å
149C33.9Very low54.2Low127 Ų127109.7 Ų109.786%0.85865%0.647SS**SBendtrans-146.570-178.9-162.30000112.7
150A32.2Very low52.2Low96 Ų96110.9 Ų110.979%0.79366%0.661SS**  trans-149.963.4166.800000109.8
151Q34.1Very low50Low181 Ų181113.5 Ų113.585%0.84668%0.676SS**  trans-119.297.7154.2-75.1-168.935.100107.5N153Q151-N153 PolarHBondContact O-N 3.38Å
152T31.3Very low47.5Very low135 Ų135117 Ų11783%0.82870%0.7SS**  trans-52114.1160.250.40000108.4
153N36.1Very low45.2Very low153 Ų153117 Ų11782%0.81871%0.705SS**  trans-134115.4157.6-98.4-10.3000109Q151Q151-N153 PolarHBondContact O-N 3.38Å
154S37.3Very low42.8Very low96 Ų96123.3 Ų123.367%0.67174%0.735SS**  trans-70.1133.4176.149.10000112.6
155F36.5Very low40.5Very low201 Ų201124.5 Ų124.588%0.88275%0.75SS**  trans80.8154.3146.5-70.6-54.3000121.3
156P37.3Very low38.8Very low104 Ų104125.5 Ų125.568%0.67576%0.764SS**  -122.5178.4-125.843.3-31.3000116.1
157S34.3Very low37.3Very low107 Ų107125.9 Ų125.975%0.74878%0.776SS**  trans70.6110.2156.663.30000119.3
158S39.3Very low36.6Very low113 Ų113124.9 Ų124.979%0.7978%0.784SS**  174121112.6400000112.3
159T34.1Very low36.7Very low129 Ų129125.3 Ų125.379%0.79178%0.781SS**  trans52.1113.9132.5-47.30000121.3
160S38.9Very low37.5Very low93 Ų93124.9 Ų124.965%0.6578%0.776SS**  trans95.3126.613269.90000121.7
161N39.2Very low38.2Very low139 Ų139126 Ų12674%0.74378%0.775SS**  trans94.692.5144-59.3-12.6000119.8
162T34.1Very low38.7Very low132 Ų132120.7 Ų120.781%0.8176%0.758SS**  38.3100.7120.8-35.20000118.2
163T37.2Very low39.7Very low120 Ų120119.2 Ų119.274%0.73675%0.751SS**  trans-160.7119.3136.1-18.10000112.6
164L34.5Very low40.2Very low167 Ų167120.6 Ų120.687%0.87475%0.75SS**  trans8.3106.1149.6-61.4158.7000117.5
165T35.5Very low40.7Very low130 Ų130118.3 Ų118.380%0.79873%0.734SS**  trans-142.8117.3155.949.50000111.6
166S38.5Very low41.5Very low106 Ų106114.9 Ų114.974%0.74173%0.725SS**  trans17.5118.3153.956.50000119A168S166-A168 PolarHBondContact O-N 3.21Å
167S35.7Very low42.3Very low126 Ų126116.7 Ų116.788%0.88172%0.723SS**  trans-55.991.2159.4560000111.5A169S167-A169 PolarHBondContact O-N 3.08Å
168A41.4Very low43.1Very low96 Ų96115 Ų11579%0.79371%0.709SS**  trans-78.896.3164.600000107.7S166S166-A168 PolarHBondContact O-N 3.21Å
169A49.2Very low43.5Very low81 Ų81119.2 Ų119.267%0.66971%0.709SS**PPolyproline II helixtrans-56.1141.1167.700000109.4S167S167-A169 PolarHBondContact O-N 3.08Å
170P51.8Low44.3Very low117 Ų117115.6 Ų115.676%0.7669%0.692SS**PPolyproline II helixtrans-56.2132.617623.7-32.3000108.9S172P170-S172 PolarHBondContact O-N 3.1Å; P170-S172 VanDerWaalsContact O-N 3.16Å
171P47.1Very low44.8Very low119 Ų119117.3 Ų117.377%0.77368%0.684SS**PPolyproline II helixtrans-61.6124.5-177.524.3-31.6000109.2
172S43.7Very low45.5Very low70 Ų70118 Ų11849%0.4968%0.678SS.*PPolyproline II helixtrans-51.7137.517557.40000110.6P170 F174 S175P170-S172 PolarHBondContact O-N 3.1Å; P170-S172 VanDerWaalsContact O-N 3.16Å; S172-F174 PolarHBondContact O-N 3.13Å; S172-S175 PolarHBondContact O-N 3.28Å
173P52.9Low46.7Very low105 Ų105114.6 Ų114.668%0.68266%0.659SS**THydrogen-bonded Turntrans-63.71.7-179.923.3-31.9000114.7
174F46.8Very low48.3Very low181 Ų181113.2 Ų113.279%0.79464%0.641SS**THydrogen-bonded Turntrans-117.514.3-177.5-60.2-73000114.4S172 N176S172-F174 PolarHBondContact O-N 3.13Å; F174-N176 PolarHBondContact O-N 3.4Å
175S46.4Very low50.4Low49 Ų49111.7 Ų111.734%0.34362%0.623SS.*  trans-73.7107.7180-174.10000111.9S172 K177S172-S175 PolarHBondContact O-N 3.28Å; S175-K177 PolarHBondContact O-N 3.01Å
176N53.7Low52.7Low129 Ų129108.3 Ų108.369%0.6960%0.6SS**  trans-74.528.9177.9-85.9-8.2000114.6F174 R181F174-N176 PolarHBondContact O-N 3.4Å; N176-R181 PolarHBondContact OD1-NH2 3.09Å
177K53.3Low55.1Low142 Ų142104 Ų10462%0.61757%0.57SS**  trans-75.6122.7176-72.1-179179.9-178.30109.5S175 Y179 A180S175-K177 PolarHBondContact O-N 3.01Å; K177-Y179 PolarHBondContact O-N 3.48Å; K177-A180 HydrophobicContact CB-CB 4.46Å; K177-A180 PolarHBondContact O-N 3.2Å; K177-A180 VanDerWaalsContact O-N 3.13Å
178P51.9Low57.7Low72 Ų7299 Ų9947%0.46853%0.533SS..Hα-helixtrans-59-37-173.920.3-30000111.9A180 R181 Y182P178-A180 VanDerWaalsContact C-N 3.32Å; P178-A180 PolarHBondContact O-N 3.41Å; P178-R181 PolarHBondContact O-N 3.4Å; P178-Y182 WeakPolarHBondContact O-CD2 3.36Å; P178-Y182 WeakPolarHBondContact O-CE2 3.43Å
179Y47.4Very low59.9Low200 Ų20098.1 Ų98.178%0.78451%0.512SS*.Hα-helixtrans-69.9-19.9-178.6-49.5-71.4000115.2K177K177-Y179 PolarHBondContact O-N 3.48Å
180A50.6Low61.8Low53 Ų5394.3 Ų94.344%0.43848%0.48SS..Hα-helixtrans-85.2-16.8-179.800000113.1K177 P178K177-A180 HydrophobicContact CB-CB 4.46Å; K177-A180 PolarHBondContact O-N 3.2Å; K177-A180 VanDerWaalsContact O-N 3.13Å; P178-A180 VanDerWaalsContact C-N 3.32Å; P178-A180 PolarHBondContact O-N 3.41Å
181R49.6Very low63.6Low129 Ų12993.3 Ų93.349%0.48746%0.461SS..Hα-helixtrans-86.6-16-178.7-67.6-165.2-162.8164.92.8114.1N176 P178 S183N176-R181 PolarHBondContact OD1-NH2 3.09Å; P178-R181 PolarHBondContact O-N 3.4Å; R181-S183 VanDerWaalsContact C-N 3.29Å; R181-S183 PolarHBondContact O-N 3.49Å
182Y53.5Low65.7Low155 Ų15588.6 Ų88.661%0.60843%0.43SS*.THydrogen-bonded Turntrans-76.4-11.5-178.5-65.6-76.6000114.5P178P178-Y182 WeakPolarHBondContact O-CD2 3.36Å; P178-Y182 WeakPolarHBondContact O-CE2 3.43Å
183S60.9Low67.8Low60 Ų6089.8 Ų89.842%0.4243%0.431SS..THydrogen-bonded Turntrans-99.211.7-176.5-168.30000114.1L147 R181L147-S183 PolarHBondContact N-O 3.31Å; R181-S183 VanDerWaalsContact C-N 3.29Å; R181-S183 PolarHBondContact O-N 3.49Å
184R69.8Low69.4Low91 Ų9186.6 Ų86.634%0.34341%0.411SS..EExtended strand (participates in β ladder)trans-106.3118.2-176-54.2-162.6-172.8-169.8-8110E144 D146E144-R184 HydrophobicContact CG-CB 4.22Å; E144-R184 WeakPolarHBondContact OE1-CD 3.33Å; E144-R184 IonicContact OE1-CZ 2.9Å; E144-R184 IonicContact OE1-NE 2.72Å; E144-R184 IonicContact OE1-NH1 3.69Å; E144-R184 PolarHBondContact OE1-NH1 3.11Å; E144-R184 IonicContact OE2-NH1 3.23Å; D146-R184 IonicContact OD1-NE 3.07Å
185R78.7Confident71.5Confident134 Ų13481.8 Ų81.851%0.50639%0.387SS..EExtended strand (participates in β ladder)trans-91.7121.6176.7-179.9176170.8-179.4-5.3108.3D23 D145 L147D23-R185 IonicContact OD2-CZ 3.78Å; D23-R185 IonicContact OD2-NH2 3.62Å; D23-R185 PolarHBondContact OD2-NH2 3.11Å; D145-R185 PolarHBondContact N-O 3.02Å; D145-R185 PolarHBondContact O-N 3.45Å; L147-R185 HydrophobicContact CD1-CB 3.6Å
186L84.7Confident73.7Confident59 Ų5979.6 Ų79.631%0.30937%0.373SS..EExtended strand (participates in β ladder)trans-93.9134.8175.9-62.6176.2000109.1H20 V22 D23 E144H20-L186 HydrophobicContact CB-CD1 4.2Å; V22-L186 WeakPolarHBondContact CA-O 3.22Å; V22-L186 HydrophobicContact CG1-CB 4.43Å; V22-L186 HydrophobicContact CG2-CB 4.06Å; V22-L186 HydrophobicContact CG2-CD1 4.44Å; D23-L186 PolarHBondContact N-O 3.16Å; E144-L186 HydrophobicContact CB-CD2 4.08Å; E144-L186 HydrophobicContact CG-CD2 3.98Å
187S88.5Confident75.6Confident16 Ų1674.9 Ų74.911%0.11235%0.346CS..EExtended strand (participates in β ladder)trans-135.4146175.165.30000111.7D23 L142 C143D23-S187 CarbonylContact O-C 3.55Å; D23-S187 WeakPolarHBondContact O-CA 3.34Å; L142-S187 WeakPolarHBondContact CA-O 3.32Å; C143-S187 PolarHBondContact N-O 3.45Å; C143-S187 PolarHBondContact O-N 3.17Å
188L89Confident77.6Confident22 Ų2268.2 Ų68.212%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-89.2104.7170.7179.267.3000108.1D23 T24 A27 I140 L142D23-L188 PolarHBondContact O-N 2.7Å; T24-L188 HydrophobicContact CG2-CD2 4.4Å; A27-L188 HydrophobicContact CB-CD2 3.37Å; A27-L188 HydrophobicContact CB-CG 4.3Å; I140-L188 HydrophobicContact CB-CD1 3.64Å; I140-L188 HydrophobicContact CD1-CD1 3.79Å; I140-L188 HydrophobicContact CG1-CD1 4.2Å; I140-L188 HydrophobicContact CG2-CD1 4.04Å; L142-L188 HydrophobicContact CD2-CD1 3.75Å
189F88Confident79.6Confident77 Ų7770.9 Ų70.934%0.33832%0.319SS..EExtended strand (participates in β ladder)trans-73.8-32.8-172.9-170.4-85.4000112.4R26 V31 I141 C143R26-F189 WeakPolarHBondContact CB-O 3.42Å; R26-F189 VanDerWaalsContact CZ-CE2 3.41Å; R26-F189 PolarHBondContact NE-O 2.91Å; R26-F189 PolarHBondContact NH2-O 3.36Å; V31-F189 HydrophobicContact CG1-CD1 4.06Å; V31-F189 HydrophobicContact CG1-CE1 4.07Å; I141-F189 HydrophobicContact CB-CB 4.02Å; I141-F189 HydrophobicContact CB-CD1 4.5Å; I141-F189 HydrophobicContact CG2-CB 3.87Å; I141-F189 HydrophobicContact CG2-CD1 4.32Å; I141-F189 HydrophobicContact CG2-CG 4.27Å; I141-F189 WeakPolarHBondContact O-CB 3.39Å; I141-F189 PolarHBondContact O-N 3.38Å; C143-F189 WeakPolarHBondContact SG-CD2 3.47Å
190G89.8Confident81.8Confident0 Ų062.7 Ų62.70%029%0.29CS..EExtended strand (participates in β ladder)trans161.4178.1177.500000113.9R26 D29 I140 I141R26-G190 WeakPolarHBondContact O-CA 3.31Å; D29-G190 CarbonylContact O-C 3.51Å; D29-G190 VanDerWaalsContact O-CA 3.28Å; D29-G190 WeakPolarHBondContact O-CA 3.15Å; I140-G190 WeakPolarHBondContact CA-O 3.5Å; I141-G190 PolarHBondContact N-O 2.79Å
191R90.2Very high83.7Confident96 Ų9662.1 Ų62.136%0.36228%0.282SS..EExtended strand (participates in β ladder)trans-102.5133.8178.5-72.7164.9168.6132.87.4110.7A27 D29 G30 V31 E138 I140 N193A27-R191 WeakPolarHBondContact O-CD 3.29Å; A27-R191 VanDerWaalsContact O-CG 3.26Å; A27-R191 WeakPolarHBondContact O-CG 3.19Å; A27-R191 VanDerWaalsContact O-CZ 3.29Å; A27-R191 PolarHBondContact O-NE 3.02Å; A27-R191 PolarHBondContact O-NH1 3.26Å; D29-R191 PolarHBondContact O-N 3.38Å; G30-R191 CarbonylContact C-O 3.52Å; G30-R191 WeakPolarHBondContact CA-O 3.42Å; V31-R191 WeakPolarHBondContact CG2-O 3.37Å; V31-R191 PolarHBondContact N-O 2.75Å; E138-R191 VanDerWaalsContact CD-CD 3.49Å; E138-R191 VanDerWaalsContact CD-CG 3.45Å; E138-R191 HydrophobicContact CG-CB 4.43Å; E138-R191 HydrophobicContact CG-CG 4.2Å; E138-R191 WeakPolarHBondContact OE1-CB 3.42Å; E138-R191 WeakPolarHBondContact OE1-CD 3.13Å; E138-R191 WeakPolarHBondContact OE1-CG 3.42Å; E138-R191 IonicContact OE1-NE 2.8Å; E138-R191 PolarHBondContact OE1-NE 3.22Å; E138-R191 IonicContact OE2-NE 2.75Å; E138-R191 PolarHBondContact OE2-NE 2.71Å; I140-R191 HydrophobicContact CG2-CG 4.05Å; R191-N193 PolarHBondContact O-N 3.05Å; R191-N193 VanDerWaalsContact O-N 3.13Å
192V89.8Confident85.5Confident21 Ų2162.4 Ų62.413%0.12730%0.3CS..EExtended strand (participates in β ladder)trans-74.1107.1179.5-179.20000109.9V31 L33 L139 I141 S194 R195V31-V192 HydrophobicContact CG2-CG2 4.06Å; V31-V192 CarbonylContact O-C 3.58Å; V31-V192 VanDerWaalsContact O-CA 3.26Å; V31-V192 WeakPolarHBondContact O-CA 3.34Å; L33-V192 HydrophobicContact CB-CG1 3.53Å; L33-V192 HydrophobicContact CB-CG2 4.27Å; L139-V192 HydrophobicContact CB-CB 3.87Å; L139-V192 HydrophobicContact CB-CG2 3.64Å; L139-V192 PolarHBondContact O-N 2.86Å; I141-V192 HydrophobicContact CD1-CG2 4.09Å; I141-V192 HydrophobicContact CG1-CG2 4.26Å; V192-S194 WeakPolarHBondContact CG1-O 3.44Å; V192-R195 HydrophobicContact CG1-CG 4.08Å
193N88.4Confident87.3Confident94 Ų9457.5 Ų57.550%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-92.9-17.7-178.965.6-0.7000113.3G30 V31 R191G30-N193 WeakPolarHBondContact CA-ND2 3.17Å; V31-N193 PolarHBondContact O-N 3.38Å; V31-N193 PolarHBondContact O-OD1 3.28Å; R191-N193 PolarHBondContact O-N 3.05Å; R191-N193 VanDerWaalsContact O-N 3.13Å
194S86.8Confident88.8Confident38 Ų3859.9 Ų59.927%0.26630%0.297SS..EExtended strand (participates in β ladder)trans-151.1141.6-179.5-73.80000110.5W32 L33 V192W32-S194 WeakPolarHBondContact CA-O 3.42Å; L33-S194 PolarHBondContact N-O 2.75Å; V192-S194 WeakPolarHBondContact CG1-O 3.44Å
195R90.3Very high89.9Confident80 Ų8059.8 Ų59.830%0.30230%0.296SS..EExtended strand (participates in β ladder)trans-115138.9173.4-63-175-171.1169.27.4109.3L33 Q104 I134 L139 V192L33-R195 HydrophobicContact CB-CG 4.33Å; L33-R195 HydrophobicContact CD2-CG 4.42Å; L33-R195 CarbonylContact O-C 3.55Å; L33-R195 VanDerWaalsContact O-CA 3.31Å; L33-R195 WeakPolarHBondContact O-CA 3.4Å; Q104-R195 HydrophobicContact CB-CB 4.16Å; Q104-R195 PolarHBondContact N-O 3.01Å; I134-R195 VanDerWaalsContact CD1-NH2 3.27Å; L139-R195 VanDerWaalsContact CD1-CZ 3.44Å; L139-R195 VanDerWaalsContact CG-NH2 3.27Å; V192-R195 HydrophobicContact CG1-CG 4.08Å
196A92Very high90.6Very high4 Ų455.3 Ų55.33%0.03328%0.28CS..EExtended strand (participates in β ladder)trans-140154.317600000111.7L33 V34 K35 F101 L102L33-A196 PolarHBondContact O-N 3.08Å; V34-A196 CarbonylContact C-O 3.58Å; V34-A196 WeakPolarHBondContact CA-O 3.4Å; V34-A196 HydrophobicContact CG1-CB 4.48Å; V34-A196 HydrophobicContact CG2-CB 4.35Å; K35-A196 PolarHBondContact N-O 3.4Å; F101-A196 HydrophobicContact CB-CB 4.29Å; F101-A196 HydrophobicContact CD2-CB 4.5Å; L102-A196 CarbonylContact O-C 3.6Å; L102-A196 VanDerWaalsContact O-CA 3.26Å; L102-A196 WeakPolarHBondContact O-CA 3.44Å
197E94.7Very high91Very high29 Ų2958 Ų5814%0.13629%0.292CS..EExtended strand (participates in β ladder)trans-113.7119.9169.1-176.2172.3-147.300109.7K35 F101 L102 R199K35-E197 HydrophobicContact CB-CG 4.39Å; K35-E197 HydrophobicContact CD-CG 4.11Å; K35-E197 WeakPolarHBondContact CE-OE1 3.07Å; K35-E197 HydrophobicContact CG-CG 4.49Å; K35-E197 IonicContact NZ-OE1 3.45Å; K35-E197 PolarHBondContact NZ-OE1 3.44Å; F101-E197 WeakPolarHBondContact CA-O 3.36Å; L102-E197 PolarHBondContact N-O 2.84Å; L102-E197 PolarHBondContact O-N 3.14Å; E197-R199 HydrophobicContact CG-CG 4.35Å; E197-R199 PolarHBondContact O-N 3.16Å; E197-R199 IonicContact OE1-NE 2.71Å; E197-R199 IonicContact OE1-NH2 2.67Å; E197-R199 IonicContact OE2-CZ 3.75Å; E197-R199 VanDerWaalsContact OE2-CZ 3.23Å; E197-R199 IonicContact OE2-NE 3.36Å; E197-R199 PolarHBondContact OE2-NE 2.88Å; E197-R199 IonicContact OE2-NH2 3.92Å; E197-R199 PolarHBondContact OE2-NH2 3.43Å
198C95.2Very high91.2Very high3 Ų362.2 Ų62.22%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-74.5112.8172.4176.40000109V34 K35 V36 P37 H99 F101V34-C198 HydrophobicContact CG1-CB 4.14Å; K35-C198 WeakPolarHBondContact O-CB 3.49Å; K35-C198 PolarHBondContact O-N 3.35Å; V36-C198 HydrophobicContact CG2-CB 4.34Å; P37-C198 WeakPolarHBondContact CD-O 3.48Å; P37-C198 WeakPolarHBondContact CG-O 3.32Å; H99-C198 WeakPolarHBondContact CB-SG 3.31Å; F101-C198 HydrophobicContact CD1-CB 3.79Å; F101-C198 HydrophobicContact CE1-CB 3.63Å
199R93.9Very high91.4Very high128 Ų12861.7 Ų61.748%0.48331%0.308SS..EExtended strand (participates in β ladder)trans-105.1128.9-177.6-71.7-71.3-174.7133.7-3.8110.3H99 Q100 E197H99-R199 WeakPolarHBondContact CA-O 3.45Å; Q100-R199 PolarHBondContact N-O 3.44Å; Q100-R199 VanDerWaalsContact N-O 3.11Å; Q100-R199 PolarHBondContact O-N 3.25Å; E197-R199 HydrophobicContact CG-CG 4.35Å; E197-R199 PolarHBondContact O-N 3.16Å; E197-R199 IonicContact OE1-NE 2.71Å; E197-R199 IonicContact OE1-NH2 2.67Å; E197-R199 IonicContact OE2-CZ 3.75Å; E197-R199 VanDerWaalsContact OE2-CZ 3.23Å; E197-R199 IonicContact OE2-NE 3.36Å; E197-R199 PolarHBondContact OE2-NE 2.88Å; E197-R199 IonicContact OE2-NH2 3.92Å; E197-R199 PolarHBondContact OE2-NH2 3.43Å
200P92.6Very high91.7Very high27 Ų2762.8 Ų62.818%0.17531%0.313CS..  trans-67.4148167.621-22.1000111Y39 Y206Y39-P200 WeakPolarHBondContact OH-CB 3.22Å; P200-Y206 HydrophobicContact CB-CD1 3.99Å; P200-Y206 HydrophobicContact CB-CD2 3.66Å; P200-Y206 HydrophobicContact CB-CE1 3.92Å; P200-Y206 HydrophobicContact CB-CE2 3.58Å; P200-Y206 HydrophobicContact CB-CG 3.87Å; P200-Y206 HydrophobicContact CG-CD1 4.12Å; P200-Y206 HydrophobicContact CG-CD2 4.09Å; P200-Y206 HydrophobicContact CG-CE1 3.52Å; P200-Y206 HydrophobicContact CG-CE2 3.48Å; P200-Y206 VanDerWaalsContact CG-CE2 3.48Å; P200-Y206 HydrophobicContact CG-CG 4.38Å; P200-Y206 WeakPolarHBondContact CG-OH 3.4Å
201P91.3Very high91.8Very high42 Ų4265.6 Ų65.627%0.27334%0.337SS..  trans-65.2146.2171.427.3-34.1000110.3P96 E98 N203P96-P201 HydrophobicContact CB-CG 3.56Å; P96-P201 HydrophobicContact CG-CG 3.91Å; E98-P201 WeakPolarHBondContact O-CD 3.28Å; P201-N203 PolarHBondContact O-N 2.77Å
202P88Confident92Very high135 Ų13565.5 Ų65.588%0.87734%0.34SS*.  trans-76.760.3178.134-36.7000111.2
203N89.9Confident92.1Very high52 Ų5267.1 Ų67.128%0.27835%0.346SS..  trans-101.4154.8-18068.920.3000112P201 R205 Y206 M207P201-N203 PolarHBondContact O-N 2.77Å; N203-R205 PolarHBondContact O-N 3.33Å; N203-Y206 PolarHBondContact O-N 3.4Å; N203-Y206 WeakPolarHBondContact OD1-CA 3.41Å; N203-Y206 WeakPolarHBondContact OD1-CB 3.39Å; N203-Y206 PolarHBondContact OD1-N 2.94Å; N203-M207 WeakPolarHBondContact O-CG 3.31Å; N203-M207 PolarHBondContact O-N 3.43Å; N203-M207 VanDerWaalsContact O-N 3.11Å
204T93.4Very high92.3Very high110 Ų11067.4 Ų67.468%0.67535%0.347SS*.Hα-helixtrans-55.9-39.9180-52.10000112.1M207 M208T204-M207 PolarHBondContact O-N 3.46Å; T204-M208 HydrophobicContact CG2-SD 4.43Å; T204-M208 WeakPolarHBondContact O-CG 3.33Å; T204-M208 PolarHBondContact O-N 3.46Å
205R91.7Very high92.7Very high89 Ų8972.8 Ų72.834%0.33637%0.366SS..Hα-helixtrans-57.7-49.2-180-175.8178.6155.6139.8-2.5112G92 N93 L94 I95 N203 M208 L209G92-R205 PolarHBondContact O-NH2 3.2Å; N93-R205 VanDerWaalsContact CA-CZ 3.49Å; N93-R205 WeakPolarHBondContact O-CD 3.14Å; N93-R205 VanDerWaalsContact O-CG 3.3Å; N93-R205 WeakPolarHBondContact O-CG 3.18Å; N93-R205 PolarHBondContact O-NE 2.75Å; N93-R205 PolarHBondContact O-NH1 3.06Å; N93-R205 VanDerWaalsContact O-NH1 3.08Å; N93-R205 PolarHBondContact O-NH2 3.33Å; L94-R205 VanDerWaalsContact CA-CG 3.41Å; L94-R205 HydrophobicContact CB-CG 4.37Å; L94-R205 CarbonylContact O-C 3.57Å; L94-R205 WeakPolarHBondContact O-CG 3.19Å; I95-R205 VanDerWaalsContact O-CZ 3.27Å; I95-R205 PolarHBondContact O-NE 3.31Å; I95-R205 PolarHBondContact O-NH2 3.45Å; N203-R205 PolarHBondContact O-N 3.33Å; R205-M208 PolarHBondContact O-N 3.3Å; R205-L209 PolarHBondContact O-N 3.41Å; R205-L209 VanDerWaalsContact O-N 3.09Å
206Y93.4Very high92.7Very high39 Ų3971.7 Ų71.715%0.15337%0.374CS..Hα-helixtrans-64.5-41.6174.5173.8-109.1000112.3Y39 P96 P200 N203 M208 L209 K210Y39-Y206 HydrophobicContact CE1-CD2 4.35Å; Y39-Y206 AromaticContact CE1-CE2 3.64Å; Y39-Y206 HydrophobicContact CE1-CE2 3.64Å; P96-Y206 HydrophobicContact CG-CD2 4.25Å; P96-Y206 HydrophobicContact CG-CG 4.35Å; P200-Y206 HydrophobicContact CB-CD1 3.99Å; P200-Y206 HydrophobicContact CB-CD2 3.66Å; P200-Y206 HydrophobicContact CB-CE1 3.92Å; P200-Y206 HydrophobicContact CB-CE2 3.58Å; P200-Y206 HydrophobicContact CB-CG 3.87Å; P200-Y206 HydrophobicContact CG-CD1 4.12Å; P200-Y206 HydrophobicContact CG-CD2 4.09Å; P200-Y206 HydrophobicContact CG-CE1 3.52Å; P200-Y206 HydrophobicContact CG-CE2 3.48Å; P200-Y206 VanDerWaalsContact CG-CE2 3.48Å; P200-Y206 HydrophobicContact CG-CG 4.38Å; P200-Y206 WeakPolarHBondContact CG-OH 3.4Å; N203-Y206 PolarHBondContact O-N 3.4Å; N203-Y206 WeakPolarHBondContact OD1-CA 3.41Å; N203-Y206 WeakPolarHBondContact OD1-CB 3.39Å; N203-Y206 PolarHBondContact OD1-N 2.94Å; Y206-M208 VanDerWaalsContact C-N 3.29Å; Y206-M208 PolarHBondContact O-N 2.89Å; Y206-L209 WeakPolarHBondContact O-CB 3.24Å; Y206-L209 PolarHBondContact O-N 2.97Å; Y206-K210 WeakPolarHBondContact O-CB 3.34Å; Y206-K210 PolarHBondContact O-N 3.49Å
207M93.8Very high92.7Very high117 Ų11779.9 Ų79.958%0.57641%0.409SS*.Hα-helixtrans-62.7-38.2178.7-66.5-59.4-68.900111.6N203 T204 K210 A211N203-M207 WeakPolarHBondContact O-CG 3.31Å; N203-M207 PolarHBondContact O-N 3.43Å; N203-M207 VanDerWaalsContact O-N 3.11Å; T204-M207 PolarHBondContact O-N 3.46Å; M207-K210 PolarHBondContact O-N 3.29Å; M207-A211 WeakPolarHBondContact O-CB 3.46Å; M207-A211 PolarHBondContact O-N 2.92Å
208M93.8Very high92.7Very high104 Ų10483.7 Ų83.751%0.51243%0.43SS..Hα-helixtrans-65.1-45.2172.7-73.7178.866.100112.3L94 T204 R205 Y206 K210 A211 Q212L94-M208 HydrophobicContact CD2-CB 3.49Å; L94-M208 VanDerWaalsContact CD2-CB 3.49Å; L94-M208 HydrophobicContact CD2-CE 4.32Å; T204-M208 HydrophobicContact CG2-SD 4.43Å; T204-M208 WeakPolarHBondContact O-CG 3.33Å; T204-M208 PolarHBondContact O-N 3.46Å; R205-M208 PolarHBondContact O-N 3.3Å; Y206-M208 VanDerWaalsContact C-N 3.29Å; Y206-M208 PolarHBondContact O-N 2.89Å; M208-K210 PolarHBondContact O-N 3.35Å; M208-A211 PolarHBondContact O-N 3.36Å; M208-Q212 WeakPolarHBondContact O-CG 3.48Å; M208-Q212 PolarHBondContact O-N 3Å
209L92.7Very high92.5Very high10 Ų1092.1 Ų92.15%0.05246%0.462CS..Hα-helixtrans-53.9-46172.2-177.668.7000110.5Y39 L94 I95 R205 Y206 A211 Q212 Q213Y39-L209 HydrophobicContact CD1-CD2 4.17Å; Y39-L209 HydrophobicContact CD2-CD2 4.21Å; Y39-L209 HydrophobicContact CG-CD2 3.98Å; L94-L209 HydrophobicContact CB-CB 3.87Å; L94-L209 HydrophobicContact CB-CD1 4.11Å; I95-L209 HydrophobicContact CG1-CD2 3.97Å; R205-L209 PolarHBondContact O-N 3.41Å; R205-L209 VanDerWaalsContact O-N 3.09Å; Y206-L209 WeakPolarHBondContact O-CB 3.24Å; Y206-L209 PolarHBondContact O-N 2.97Å; L209-A211 PolarHBondContact O-N 3.33Å; L209-Q212 PolarHBondContact O-N 3.31Å; L209-Q213 WeakPolarHBondContact O-CG 3.39Å; L209-Q213 PolarHBondContact O-N 3.23Å
210K93.2Very high92.2Very high100 Ų10090.8 Ų90.844%0.43547%0.469SS..Hα-helixtrans-67.3-38.6-177.4-167.464.3-176.7173.10112.3Y206 M207 M208 Q213 L214Y206-K210 WeakPolarHBondContact O-CB 3.34Å; Y206-K210 PolarHBondContact O-N 3.49Å; M207-K210 PolarHBondContact O-N 3.29Å; M208-K210 PolarHBondContact O-N 3.35Å; K210-Q213 PolarHBondContact O-N 3.5Å; K210-L214 WeakPolarHBondContact O-CB 3.4Å; K210-L214 PolarHBondContact O-N 3.36Å
211A93.5Very high92.1Very high60 Ų60100.5 Ų100.550%0.49650%0.502SS..Hα-helixtrans-62.9-43174.300000111.7M207 M208 L209 L214 K215M207-A211 WeakPolarHBondContact O-CB 3.46Å; M207-A211 PolarHBondContact O-N 2.92Å; M208-A211 PolarHBondContact O-N 3.36Å; L209-A211 PolarHBondContact O-N 3.33Å; A211-L214 PolarHBondContact O-N 2.92Å; A211-K215 WeakPolarHBondContact O-CB 3.46Å; A211-K215 PolarHBondContact O-N 2.99Å
212Q93.1Very high91.9Very high93 Ų93105.4 Ų105.444%0.43552%0.521SS..Hα-helixtrans-62.2-46175.6-71.8178-8.300111.9M208 L209 L214 K215 A216M208-Q212 WeakPolarHBondContact O-CG 3.48Å; M208-Q212 PolarHBondContact O-N 3Å; L209-Q212 PolarHBondContact O-N 3.31Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 3.38Å; Q212-K215 PolarHBondContact O-N 3.44Å; Q212-A216 PolarHBondContact O-N 3.44Å
213Q92Very high91.8Very high56 Ų56106.8 Ų106.826%0.26252%0.516SS..Hα-helixtrans-60.7-42.3176.5-73175-4.400112.4L209 K210 A216 K217L209-Q213 WeakPolarHBondContact O-CG 3.39Å; L209-Q213 PolarHBondContact O-N 3.23Å; K210-Q213 PolarHBondContact O-N 3.5Å; Q213-A216 PolarHBondContact O-N 2.97Å; Q213-K217 WeakPolarHBondContact O-CB 3.42Å; Q213-K217 PolarHBondContact O-N 3.01Å
214L93.8Very high91.7Very high99 Ų99110.6 Ų110.652%0.51854%0.541SS..Hα-helixtrans-66-42.8177.7-173.864.2000111.1K210 A211 Q212 A216 K217 N218K210-L214 WeakPolarHBondContact O-CB 3.4Å; K210-L214 PolarHBondContact O-N 3.36Å; A211-L214 PolarHBondContact O-N 2.92Å; Q212-L214 VanDerWaalsContact C-N 3.34Å; Q212-L214 PolarHBondContact O-N 3.38Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 2.94Å; L214-K217 PolarHBondContact O-N 3.33Å; L214-N218 WeakPolarHBondContact CD1-ND2 3.45Å; L214-N218 VanDerWaalsContact O-CB 3.26Å; L214-N218 WeakPolarHBondContact O-CB 3.26Å; L214-N218 VanDerWaalsContact O-CG 3.27Å; L214-N218 PolarHBondContact O-N 3.37Å
215K93.9Very high91.3Very high152 Ų152110.4 Ų110.466%0.66154%0.543SS*.Hα-helixtrans-59.9-42.9175.3-173.8178.8-177.4179.20111.7A211 Q212 R219A211-K215 WeakPolarHBondContact O-CB 3.46Å; A211-K215 PolarHBondContact O-N 2.99Å; Q212-K215 PolarHBondContact O-N 3.44Å; K215-R219 WeakPolarHBondContact O-CG 3.46Å
216A91.5Very high91.1Very high57 Ų57112.2 Ų112.247%0.47156%0.559SS.*Hα-helixtrans-67-42.9177.800000112.2Q212 Q213 L214 R219Q212-A216 PolarHBondContact O-N 3.44Å; Q213-A216 PolarHBondContact O-N 2.97Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-A216 PolarHBondContact O-N 2.94Å; A216-R219 PolarHBondContact O-N 3.11Å
217K91.8Very high90.7Very high176 Ų176116.8 Ų116.877%0.76559%0.585SS**Hα-helixtrans-70.2-32.9179.5-173.5175.9178.2-177.70113.2Q213 L214 R219Q213-K217 WeakPolarHBondContact O-CB 3.42Å; Q213-K217 PolarHBondContact O-N 3.01Å; L214-K217 PolarHBondContact O-N 3.33Å; K217-R219 PolarHBondContact O-N 3.46Å
218N93.9Very high90.4Very high109 Ų109121.5 Ų121.558%0.58360%0.598SS**THydrogen-bonded Turntrans-84.910.3180-69.9-8.5000113.4L214L214-N218 WeakPolarHBondContact CD1-ND2 3.45Å; L214-N218 VanDerWaalsContact O-CB 3.26Å; L214-N218 WeakPolarHBondContact O-CB 3.26Å; L214-N218 VanDerWaalsContact O-CG 3.27Å; L214-N218 PolarHBondContact O-N 3.37Å
219R90.4Very high90.1Very high180 Ų180123.9 Ų123.968%0.67961%0.608SS**SBendtrans-69.6126.2170.5-68.4-175.4177.7162.8-2.6109K215 A216 K217 R221K215-R219 WeakPolarHBondContact O-CG 3.46Å; A216-R219 PolarHBondContact O-N 3.11Å; K217-R219 PolarHBondContact O-N 3.46Å; R219-R221 PolarHBondContact O-N 3.1Å
220P89Confident89.5Confident99 Ų99128.2 Ų128.264%0.64364%0.637SS**  trans-62.5136.2177.427.5-33.8000109.5H222P220-H222 VanDerWaalsContact C-N 3.29Å
221R89.3Confident88.9Confident231 Ų231128.2 Ų128.287%0.87265%0.645SS**SBendtrans-70-30.9176.2-178.4179.7176-175.9-1.4112.1R219R219-R221 PolarHBondContact O-N 3.1Å
222H88.9Confident88.2Confident145 Ų145134.7 Ų134.767%0.67166%0.656SS**SBendtrans-117.3126.2-178.2-65.4-83.2000108.8P220P220-H222 VanDerWaalsContact C-N 3.29Å
223E85.7Confident87.4Confident165 Ų165137.5 Ų137.577%0.77168%0.675SS**  trans-89.6131.4172.8-62.5-177.1-179.900108.6C225E223-C225 PolarHBondContact O-N 3.4Å
224V87.6Confident86.5Confident131 Ų131144.6 Ų144.679%0.79470%0.7SS**  trans-79.6100.6174177.90000107.5L226V224-L226 HydrophobicContact CG1-CD2 4.08Å; V224-L226 HydrophobicContact CG1-CG 4.4Å; V224-L226 PolarHBondContact O-N 3.09Å
225C85.2Confident85.5Confident107 Ų107148 Ų14872%0.72371%0.711SS**  trans-80.8101.6170.8-62.50000109E223 L227E223-C225 PolarHBondContact O-N 3.4Å; C225-L227 PolarHBondContact O-N 3.25Å
226L86.9Confident84.8Confident127 Ų127146.3 Ų146.367%0.66572%0.716SS**  trans-70.3118.4170.9-65.2174.5000108.9V224 Y228V224-L226 HydrophobicContact CG1-CD2 4.08Å; V224-L226 HydrophobicContact CG1-CG 4.4Å; V224-L226 PolarHBondContact O-N 3.09Å; L226-Y228 PolarHBondContact O-N 2.93Å
227L85.1Confident84Confident134 Ų134149.4 Ų149.470%0.70273%0.728SS**  trans-79.9107.2168.4-65.6174.2000107.8C225 E229 V231C225-L227 PolarHBondContact O-N 3.25Å; L227-E229 PolarHBondContact O-N 3.41Å; L227-V231 HydrophobicContact CD1-CG2 3.83Å
228Y86.8Confident83.4Confident217 Ų217147.1 Ų147.185%0.85174%0.735SS**SBendtrans-65.4-30.2177.9-68.8-79.6000112.4L226L226-Y228 PolarHBondContact O-N 2.93Å
229E87.9Confident83Confident154 Ų154145 Ų14572%0.7272%0.723SS**SBendtrans-107.9138.3-179.7-63.3-172.7177.500111.4L227 V231L227-E229 PolarHBondContact O-N 3.41Å; E229-V231 PolarHBondContact O-N 3.11Å
230P81.1Confident82.9Confident101 Ų101142.4 Ų142.466%0.65672%0.719SS**  trans-65.7127.7174.426.5-32.4000110.2R232P230-R232 WeakPolarHBondContact O-CG 3.46Å; P230-R232 PolarHBondContact O-N 3.2Å
231V79Confident82.9Confident100 Ų100141.8 Ų141.861%0.60671%0.713SS**  trans-64.4107.8177.4-179.40000109.5L227 E229 N233L227-V231 HydrophobicContact CD1-CG2 3.83Å; E229-V231 PolarHBondContact O-N 3.11Å; V231-N233 VanDerWaalsContact C-N 3.32Å; V231-N233 HydrophobicContact CG1-CB 4.34Å
232R79.4Confident82.8Confident195 Ų195135.3 Ų135.374%0.73670%0.695SS**THydrogen-bonded Turntrans-82.5-9.1-177.2-59.2-176.3-173.9164.62.9114P230 Y234P230-R232 WeakPolarHBondContact O-CG 3.46Å; P230-R232 PolarHBondContact O-N 3.2Å; R232-Y234 VanDerWaalsContact C-N 3.32Å; R232-Y234 PolarHBondContact O-N 3.28Å
233N76.9Confident82.9Confident153 Ų153132 Ų13282%0.81868%0.683SS**THydrogen-bonded Turntrans-82.7-10.5-164.4-58.3-4.3000113.4V231V231-N233 VanDerWaalsContact C-N 3.32Å; V231-N233 HydrophobicContact CG1-CB 4.34Å
234Y71.5Confident83.1Confident205 Ų205128.1 Ų128.180%0.80467%0.666SS**  trans-108.776.2178.4-154.4-95.6000110.5R232R232-Y234 VanDerWaalsContact C-N 3.32Å; R232-Y234 PolarHBondContact O-N 3.28Å
235K74.6Confident83.2Confident170 Ų170126.9 Ų126.974%0.73965%0.652SS**PPolyproline II helixtrans-78125162.9-65.3-171.6179.8-171.60107.3V237K235-V237 PolarHBondContact O-N 2.76Å; K235-V237 VanDerWaalsContact O-N 3.08Å
236P77.9Confident83.4Confident117 Ų117126.7 Ų126.776%0.7664%0.637SS**PPolyproline II helixtrans-58.9118.8176.224.3-32.4000108.8S238P236-S238 PolarHBondContact O-N 2.87Å
237V75.4Confident83.5Confident121 Ų121124.9 Ų124.973%0.73363%0.625SS**PPolyproline II helixtrans-83116.7179.6-166.70000107.7K235 N239K235-V237 PolarHBondContact O-N 2.76Å; K235-V237 VanDerWaalsContact O-N 3.08Å; V237-N239 WeakPolarHBondContact CG1-O 3.42Å; V237-N239 PolarHBondContact O-N 3.23Å
238S79.1Confident83.7Confident129 Ų129122.5 Ų122.590%0.90261%0.613SS**SBendtrans-63.2-25.9-179.8-1790000113.1P236P236-S238 PolarHBondContact O-N 2.87Å
239N84.7Confident83.6Confident64 Ų64117.8 Ų117.834%0.34259%0.594SS.*SBendtrans-134120.4179.6-1612.8000111.1V237 N243V237-N239 WeakPolarHBondContact CG1-O 3.42Å; V237-N239 PolarHBondContact O-N 3.23Å; N239-N243 PolarHBondContact ND2-ND2 3.42Å; N239-N243 WeakPolarHBondContact OD1-CB 3.37Å; N239-N243 PolarHBondContact OD1-ND2 2.77Å
240H88Confident83.4Confident126 Ų126116.3 Ų116.358%0.58359%0.585SS**  trans-68.4144-178.8-176.555000111N242 N243 I244H240-N242 VanDerWaalsContact CD2-CB 3.4Å; H240-N242 WeakPolarHBondContact CD2-CB 3.48Å; H240-N242 PolarHBondContact O-N 2.88Å; H240-N242 VanDerWaalsContact O-N 3.1Å; H240-N243 WeakPolarHBondContact O-CB 3.36Å; H240-N243 PolarHBondContact O-N 3.08Å; H240-I244 PolarHBondContact O-N 3.32Å
241V90.4Very high83.4Confident85 Ų85118.5 Ų118.552%0.51558%0.584SS.*Hα-helixtrans-50.5-39.1-17864.70000112.8N243 I244 E245V241-N243 VanDerWaalsContact C-N 3.27Å; V241-N243 PolarHBondContact O-N 2.67Å; V241-I244 WeakPolarHBondContact O-CB 3.39Å; V241-I244 PolarHBondContact O-N 2.98Å; V241-I244 VanDerWaalsContact O-N 3.13Å; V241-E245 PolarHBondContact O-N 3.02Å
242N86.7Confident83.4Confident96 Ų96119.2 Ų119.251%0.51359%0.588SS.*Hα-helixtrans-62.1-33.5179.7-162.523.5000113H240 Y246H240-N242 VanDerWaalsContact CD2-CB 3.4Å; H240-N242 WeakPolarHBondContact CD2-CB 3.48Å; H240-N242 PolarHBondContact O-N 2.88Å; H240-N242 VanDerWaalsContact O-N 3.1Å; N242-Y246 WeakPolarHBondContact O-CB 3.44Å; N242-Y246 PolarHBondContact O-N 3.41Å; N242-Y246 VanDerWaalsContact O-N 3.09Å
243N90.9Very high83Confident75 Ų75116.4 Ų116.440%0.40158%0.583SS.*Hα-helixtrans-73.8-37.1177.4-17031.5000111.3N239 H240 V241 Y246 E247N239-N243 PolarHBondContact ND2-ND2 3.42Å; N239-N243 WeakPolarHBondContact OD1-CB 3.37Å; N239-N243 PolarHBondContact OD1-ND2 2.77Å; H240-N243 WeakPolarHBondContact O-CB 3.36Å; H240-N243 PolarHBondContact O-N 3.08Å; V241-N243 VanDerWaalsContact C-N 3.27Å; V241-N243 PolarHBondContact O-N 2.67Å; N243-Y246 PolarHBondContact O-N 3.28Å; N243-E247 PolarHBondContact O-N 3.34Å; N243-E247 VanDerWaalsContact O-N 3.15Å
244I90Very high82.6Confident83 Ų83110.8 Ų110.843%0.42656%0.561SS.*Hα-helixtrans-62.5-45.2175.2-57.3172.5000110.3H240 V241 N248H240-I244 PolarHBondContact O-N 3.32Å; V241-I244 WeakPolarHBondContact O-CB 3.39Å; V241-I244 PolarHBondContact O-N 2.98Å; V241-I244 VanDerWaalsContact O-N 3.13Å; I244-N248 PolarHBondContact O-N 2.9Å; I244-N248 VanDerWaalsContact O-N 3.13Å
245E90.6Very high82.4Confident106 Ų106110.6 Ų110.650%0.49557%0.565SS.*Hα-helixtrans-64.9-39.9178.1-73-178.3-171.900112.8V241 N248 R249V241-E245 PolarHBondContact O-N 3.02Å; E245-N248 PolarHBondContact O-N 3.03Å; E245-R249 PolarHBondContact O-N 2.9Å
246Y88.3Confident82.2Confident103 Ų103106 Ų10640%0.40455%0.549SS..Hα-helixtrans-61.7-46.4177.8179.7-92.6000112.3N242 N243 N248 R249 K250N242-Y246 WeakPolarHBondContact O-CB 3.44Å; N242-Y246 PolarHBondContact O-N 3.41Å; N242-Y246 VanDerWaalsContact O-N 3.09Å; N243-Y246 PolarHBondContact O-N 3.28Å; Y246-N248 VanDerWaalsContact C-N 3.34Å; Y246-N248 PolarHBondContact O-N 2.84Å; Y246-R249 PolarHBondContact O-N 3.49Å; Y246-K250 HydrophobicContact CD1-CD 4.45Å; Y246-K250 HydrophobicContact CE1-CD 3.66Å; Y246-K250 HydrophobicContact CE1-CG 4.33Å; Y246-K250 PolarHBondContact O-N 2.87Å; Y246-K250 VanDerWaalsContact O-N 3.11Å; Y246-K250 VanDerWaalsContact OH-CE 3.25Å; Y246-K250 WeakPolarHBondContact OH-CE 3.44Å; Y246-K250 PolarHBondContact OH-NZ 3.03Å
247E88.8Confident82.2Confident88 Ų88107 Ų10741%0.41155%0.547SS..Hα-helixtrans-61.1-41.7176.2-77.5-65.9128.900111.9N243 K250 K251N243-E247 PolarHBondContact O-N 3.34Å; N243-E247 VanDerWaalsContact O-N 3.15Å; E247-K250 PolarHBondContact O-N 2.82Å; E247-K251 WeakPolarHBondContact O-CG 3.06Å; E247-K251 PolarHBondContact O-N 3.38Å; E247-K251 VanDerWaalsContact O-N 3.16Å
248N89.5Confident82.7Confident85 Ų85108.7 Ų108.746%0.45554%0.54SS..Hα-helixtrans-65-44.6177.3-76.8-16.1000112.3I244 E245 Y246 K250 K251 V252I244-N248 PolarHBondContact O-N 2.9Å; I244-N248 VanDerWaalsContact O-N 3.13Å; E245-N248 PolarHBondContact O-N 3.03Å; Y246-N248 VanDerWaalsContact C-N 3.34Å; Y246-N248 PolarHBondContact O-N 2.84Å; N248-K250 VanDerWaalsContact C-N 3.33Å; N248-K250 PolarHBondContact O-N 2.74Å; N248-K251 PolarHBondContact O-N 3.09Å; N248-V252 WeakPolarHBondContact O-CG2 3.46Å; N248-V252 PolarHBondContact O-N 3.11Å; N248-V252 VanDerWaalsContact O-N 3.09Å
249R85.8Confident83.2Confident118 Ų118106.7 Ų106.745%0.44551%0.513SS..Hα-helixtrans-59.8-43.6177.5179.1169.848.5-126-11.3111.6E245 Y246 K251 V252 E253E245-R249 PolarHBondContact O-N 2.9Å; Y246-R249 PolarHBondContact O-N 3.49Å; R249-K251 VanDerWaalsContact C-N 3.31Å; R249-K251 PolarHBondContact O-N 3.37Å; R249-V252 PolarHBondContact O-N 3.06Å; R249-E253 HydrophobicContact CG-CG 4.32Å; R249-E253 WeakPolarHBondContact CG-OE1 3.38Å; R249-E253 WeakPolarHBondContact O-CB 3.33Å; R249-E253 WeakPolarHBondContact O-CG 3.37Å; R249-E253 PolarHBondContact O-N 3.17Å
250K83Confident83.6Confident122 Ų122110.1 Ų110.153%0.5353%0.527SS..Hα-helixtrans-61.7-35.1176.1-89.3-166.9148.4169.20114Y246 E247 N248Y246-K250 HydrophobicContact CD1-CD 4.45Å; Y246-K250 HydrophobicContact CE1-CD 3.66Å; Y246-K250 HydrophobicContact CE1-CG 4.33Å; Y246-K250 PolarHBondContact O-N 2.87Å; Y246-K250 VanDerWaalsContact O-N 3.11Å; Y246-K250 VanDerWaalsContact OH-CE 3.25Å; Y246-K250 WeakPolarHBondContact OH-CE 3.44Å; Y246-K250 PolarHBondContact OH-NZ 3.03Å; E247-K250 PolarHBondContact O-N 2.82Å; N248-K250 VanDerWaalsContact C-N 3.33Å; N248-K250 PolarHBondContact O-N 2.74Å
251K82.1Confident83.8Confident148 Ų148107.2 Ų107.264%0.64351%0.512SS*.Hα-helixtrans-71.1-37.3176.6-71.2171.7-174.6176.20112.2E247 N248 R249E247-K251 WeakPolarHBondContact O-CG 3.06Å; E247-K251 PolarHBondContact O-N 3.38Å; E247-K251 VanDerWaalsContact O-N 3.16Å; N248-K251 PolarHBondContact O-N 3.09Å; R249-K251 VanDerWaalsContact C-N 3.31Å; R249-K251 PolarHBondContact O-N 3.37Å
252V77Confident84Confident114 Ų114109.3 Ų109.369%0.69152%0.516SS*.Hα-helixtrans-76.4-38.8-178.4176.50000112.2N248 R249 G254N248-V252 WeakPolarHBondContact O-CG2 3.46Å; N248-V252 PolarHBondContact O-N 3.11Å; N248-V252 VanDerWaalsContact O-N 3.09Å; R249-V252 PolarHBondContact O-N 3.06Å; V252-G254 PolarHBondContact O-N 3.43Å
253E71.1Confident84.3Confident136 Ų136109.1 Ų109.164%0.63652%0.515SS*.THydrogen-bonded Turntrans-77.612.4179.5-70.5179.3179.500114.3R249R249-E253 HydrophobicContact CG-CG 4.32Å; R249-E253 WeakPolarHBondContact CG-OE1 3.38Å; R249-E253 WeakPolarHBondContact O-CB 3.33Å; R249-E253 WeakPolarHBondContact O-CG 3.37Å; R249-E253 PolarHBondContact O-N 3.17Å
254G69.3Low84.4Confident35 Ų35105.5 Ų105.536%0.36150%0.496SS..  trans-39.8146.3-175.300000113.9V252 N256V252-G254 PolarHBondContact O-N 3.43Å; G254-N256 PolarHBondContact O-N 3.47Å; G254-N256 PolarHBondContact O-OD1 3.22Å
255K68Low84.6Confident202 Ų202103.6 Ų103.688%0.87849%0.486SS*.  trans-49.3103.8-171.4-63.7178.5-177.2177.90111.3L257K255-L257 WeakPolarHBondContact O-CD1 3.16Å; K255-L257 PolarHBondContact O-N 2.91Å; K255-L257 VanDerWaalsContact O-N 3.14Å
256N68.8Low84.7Confident74 Ų74104.5 Ų104.540%0.39649%0.491SS..  trans-68.8108177.6-76.8-15.9000109.3G254 K288G254-N256 PolarHBondContact O-N 3.47Å; G254-N256 PolarHBondContact O-OD1 3.22Å; N256-K288 WeakPolarHBondContact CB-O 3.46Å; N256-K288 PolarHBondContact ND2-O 2.82Å; N256-K288 WeakPolarHBondContact OD1-CB 3.4Å
257L78Confident84.9Confident137 Ų137102 Ų10272%0.71748%0.484SS*.PPolyproline II helixtrans-76.3145.5170.3-87.375.6000109.9K255 R259 Q289K255-L257 WeakPolarHBondContact O-CD1 3.16Å; K255-L257 PolarHBondContact O-N 2.91Å; K255-L257 VanDerWaalsContact O-N 3.14Å; L257-R259 PolarHBondContact O-N 3.24Å; L257-Q289 PolarHBondContact O-NE2 2.83Å; L257-Q289 PolarHBondContact O-OE1 3.13Å
258R87.2Confident85.1Confident157 Ų15797.8 Ų97.859%0.59247%0.465SS*.PPolyproline II helixtrans-62.4119.3170.4-170.8179.5-171.8172.34.1108.2Y293 E296R258-Y293 HydrophobicContact CG-CD1 3.67Å; R258-Y293 HydrophobicContact CG-CE1 3.7Å; R258-Y293 HydrophobicContact CG-CG 4.16Å; R258-Y293 VanDerWaalsContact NE-CD2 3.3Å; R258-Y293 VanDerWaalsContact NE-CE2 3.33Å; R258-E296 IonicContact NH2-OE2 2.68Å; R258-E296 PolarHBondContact NH2-OE2 3.19Å
259R89.4Confident85.3Confident87 Ų8796.1 Ų96.133%0.32845%0.453SS..PPolyproline II helixtrans-86.2165.8172-71.7-169.8-70.3159.4-0.1110.5L257 V264 D267 T287 Y293L257-R259 PolarHBondContact O-N 3.24Å; R259-V264 HydrophobicContact CB-CG2 3.86Å; R259-D267 IonicContact CZ-OD2 2.79Å; R259-D267 IonicContact NH1-OD2 3.93Å; R259-D267 PolarHBondContact NH1-OD2 3.37Å; R259-D267 IonicContact NH2-OD2 3.64Å; R259-D267 PolarHBondContact NH2-OD2 3.17Å; R259-T287 PolarHBondContact NH2-O 3.19Å; R259-Y293 WeakPolarHBondContact O-CE1 3.3Å; R259-Y293 PolarHBondContact O-OH 2.92Å
260E92.5Very high85.6Confident136 Ų13696.5 Ų96.564%0.63646%0.458SS*.PPolyproline II helixtrans-63.4152.5175.2-64.7-59.8155.500111.5E262 D263 V264E260-E262 VanDerWaalsContact C-N 3.34Å; E260-E262 PolarHBondContact O-N 2.84Å; E260-D263 PolarHBondContact O-N 3.24Å; E260-V264 WeakPolarHBondContact O-CG2 2.96Å; E260-V264 PolarHBondContact O-N 2.75Å
261K93.1Very high86Confident64 Ų6491 Ų9128%0.27844%0.436SS..Hα-helixtrans-62.8-42-170.6-178.3177.31731750112V264 L265 Y293 I297 E300K261-V264 PolarHBondContact O-N 3.17Å; K261-L265 VanDerWaalsContact O-CB 3.29Å; K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 PolarHBondContact O-N 3.01Å; K261-Y293 WeakPolarHBondContact CA-OH 3.5Å; K261-Y293 WeakPolarHBondContact CB-OH 3.28Å; K261-Y293 PolarHBondContact N-OH 3.16Å; K261-I297 HydrophobicContact CG-CD1 4.34Å; K261-I297 HydrophobicContact CG-CG1 4.38Å; K261-E300 WeakPolarHBondContact CE-OE2 3.41Å; K261-E300 IonicContact NZ-OE1 3.65Å; K261-E300 PolarHBondContact NZ-OE1 3.07Å; K261-E300 IonicContact NZ-OE2 3.16Å; K261-E300 PolarHBondContact NZ-OE2 2.9Å
262E93.4Very high86.6Confident130 Ų13084.2 Ų84.261%0.60741%0.406SS*.Hα-helixtrans-65.4-40.7-176.4-68.464.2-140.600111.5E260 L265 Q266E260-E262 VanDerWaalsContact C-N 3.34Å; E260-E262 PolarHBondContact O-N 2.84Å; E262-L265 PolarHBondContact O-N 2.68Å; E262-Q266 PolarHBondContact O-N 3.02Å
263D93.5Very high87.1Confident91 Ų9183.6 Ų83.649%0.48740%0.396SS..Hα-helixtrans-65.4-43.3177.1-70.1-20.3000111.7E260 L265 Q266 D267E260-D263 PolarHBondContact O-N 3.24Å; D263-L265 VanDerWaalsContact C-N 3.32Å; D263-Q266 PolarHBondContact O-N 2.72Å; D263-D267 PolarHBondContact O-N 3.31Å; D263-D267 VanDerWaalsContact O-N 3.1Å
264V93.9Very high88.1Confident0 Ų085.4 Ų85.40%040%0.397CS..Hα-helixtrans-66.9-37.7178.7178.30000110.8R259 E260 K261 D267 L268 Q289 Y293 L294 I297R259-V264 HydrophobicContact CB-CG2 3.86Å; E260-V264 WeakPolarHBondContact O-CG2 2.96Å; E260-V264 PolarHBondContact O-N 2.75Å; K261-V264 PolarHBondContact O-N 3.17Å; V264-D267 PolarHBondContact O-N 3.18Å; V264-L268 HydrophobicContact CG1-CD1 4.2Å; V264-L268 HydrophobicContact CG1-CG 4.42Å; V264-L268 WeakPolarHBondContact O-CB 3.5Å; V264-L268 VanDerWaalsContact O-CG 3.28Å; V264-L268 WeakPolarHBondContact O-CG 3.45Å; V264-L268 PolarHBondContact O-N 3.22Å; V264-Q289 HydrophobicContact CG1-CG 4.05Å; V264-Q289 HydrophobicContact CG2-CG 3.65Å; V264-Y293 HydrophobicContact CG2-CE1 4.15Å; V264-L294 HydrophobicContact CG1-CD1 4.12Å; V264-I297 HydrophobicContact CB-CD1 3.98Å; V264-I297 HydrophobicContact CG1-CD1 3.68Å
265L92.8Very high89.1Confident43 Ų4389.2 Ų89.223%0.22541%0.405CS..Hα-helixtrans-64.6-41.5176.8-176.6130.9000111.7K261 E262 D263 L268 F269 I301K261-L265 VanDerWaalsContact O-CB 3.29Å; K261-L265 WeakPolarHBondContact O-CB 3.42Å; K261-L265 PolarHBondContact O-N 3.01Å; E262-L265 PolarHBondContact O-N 2.68Å; D263-L265 VanDerWaalsContact C-N 3.32Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-F269 HydrophobicContact CD1-CE2 4.39Å; L265-F269 HydrophobicContact CD2-CD2 3.73Å; L265-F269 HydrophobicContact CD2-CE2 3.25Å; L265-F269 HydrophobicContact CD2-CZ 4.14Å; L265-F269 HydrophobicContact CG-CD2 4.09Å; L265-F269 HydrophobicContact CG-CE2 3.68Å; L265-F269 HydrophobicContact CG-CZ 4.19Å; L265-F269 WeakPolarHBondContact O-CD2 3.46Å; L265-F269 PolarHBondContact O-N 3.45Å; L265-I301 HydrophobicContact CD1-CD1 4.29Å; L265-I301 HydrophobicContact CD1-CG2 3.96Å
266Q92.7Very high90.2Very high125 Ų12583 Ų8358%0.58438%0.379SS*.Hα-helixtrans-62.2-43173.9-172.463.215.200112.1E262 D263 L268 F269 K270E262-Q266 PolarHBondContact O-N 3.02Å; D263-Q266 PolarHBondContact O-N 2.72Å; Q266-L268 VanDerWaalsContact C-N 3.34Å; Q266-F269 PolarHBondContact O-N 3.35Å; Q266-K270 VanDerWaalsContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CB 3.47Å; Q266-K270 PolarHBondContact O-N 3.35Å
267D93.1Very high91.4Very high50 Ų5082.4 Ų82.427%0.26737%0.372SS..Hα-helixtrans-65.1-37.3175.5-80.7-22.1000112.2R259 D263 V264 A271 T287R259-D267 IonicContact CZ-OD2 2.79Å; R259-D267 IonicContact NH1-OD2 3.93Å; R259-D267 PolarHBondContact NH1-OD2 3.37Å; R259-D267 IonicContact NH2-OD2 3.64Å; R259-D267 PolarHBondContact NH2-OD2 3.17Å; D263-D267 PolarHBondContact O-N 3.31Å; D263-D267 VanDerWaalsContact O-N 3.1Å; V264-D267 PolarHBondContact O-N 3.18Å; D267-A271 WeakPolarHBondContact O-CB 3.43Å; D267-A271 PolarHBondContact O-N 3.32Å; D267-T287 HydrophobicContact CB-CG2 4.35Å
268L93.3Very high92.2Very high0 Ų076.9 Ų76.90%034%0.342CS..Hα-helixtrans-65-49.9175.4-78.9174.3000111.5V264 L265 Q266 K270 A271 F272 L283 T287 L294 I297 L298 I301V264-L268 HydrophobicContact CG1-CD1 4.2Å; V264-L268 HydrophobicContact CG1-CG 4.42Å; V264-L268 WeakPolarHBondContact O-CB 3.5Å; V264-L268 VanDerWaalsContact O-CG 3.28Å; V264-L268 WeakPolarHBondContact O-CG 3.45Å; V264-L268 PolarHBondContact O-N 3.22Å; L265-L268 WeakPolarHBondContact O-CB 3.4Å; L265-L268 PolarHBondContact O-N 3.36Å; Q266-L268 VanDerWaalsContact C-N 3.34Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 3.44Å; L268-A271 WeakPolarHBondContact O-CB 3.08Å; L268-A271 PolarHBondContact O-N 3.23Å; L268-A271 VanDerWaalsContact O-N 3.08Å; L268-F272 HydrophobicContact CD2-CE2 4.31Å; L268-F272 WeakPolarHBondContact O-CD2 3.45Å; L268-F272 PolarHBondContact O-N 2.68Å; L268-L283 HydrophobicContact CD2-CD1 4.21Å; L268-L283 HydrophobicContact CD2-CD2 3.94Å; L268-L283 HydrophobicContact CD2-CG 4.47Å; L268-T287 HydrophobicContact CD2-CG2 4.06Å; L268-T287 HydrophobicContact CG-CG2 4.31Å; L268-L294 HydrophobicContact CD1-CD1 4.01Å; L268-L294 HydrophobicContact CD2-CD1 3.93Å; L268-L294 HydrophobicContact CG-CD1 4.27Å; L268-I297 HydrophobicContact CD1-CG2 3.8Å; L268-L298 HydrophobicContact CD1-CD2 4.29Å; L268-L298 HydrophobicContact CD2-CD2 4.31Å; L268-I301 HydrophobicContact CB-CD1 4.48Å; L268-I301 HydrophobicContact CD1-CD1 4.02Å
269F92.6Very high92.6Very high50 Ų5071.1 Ų71.122%0.21933%0.325CS..Hα-helixtrans-60.1-42176.6-71.4-40.3000111.8L265 Q266 A271 F272 E273 I301 L316 Y320L265-F269 HydrophobicContact CD1-CE2 4.39Å; L265-F269 HydrophobicContact CD2-CD2 3.73Å; L265-F269 HydrophobicContact CD2-CE2 3.25Å; L265-F269 HydrophobicContact CD2-CZ 4.14Å; L265-F269 HydrophobicContact CG-CD2 4.09Å; L265-F269 HydrophobicContact CG-CE2 3.68Å; L265-F269 HydrophobicContact CG-CZ 4.19Å; L265-F269 WeakPolarHBondContact O-CD2 3.46Å; L265-F269 PolarHBondContact O-N 3.45Å; Q266-F269 PolarHBondContact O-N 3.35Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 3.23Å; F269-F272 PolarHBondContact O-N 3.02Å; F269-E273 PolarHBondContact O-N 3.43Å; F269-I301 HydrophobicContact CE1-CD1 4.35Å; F269-L316 HydrophobicContact CD1-CD1 3.74Å; F269-L316 HydrophobicContact CD1-CD2 3.91Å; F269-L316 HydrophobicContact CD1-CG 4.5Å; F269-L316 HydrophobicContact CE1-CD1 4.11Å; F269-L316 HydrophobicContact CE1-CD2 3.76Å; F269-Y320 HydrophobicContact CE1-CD1 4.36Å; F269-Y320 HydrophobicContact CE1-CG 4.22Å; F269-Y320 AromaticContact CZ-CD1 3.9Å; F269-Y320 HydrophobicContact CZ-CD1 3.9Å; F269-Y320 HydrophobicContact CZ-CG 4.19Å
270K91.9Very high92.8Very high125 Ų12568.6 Ų68.654%0.54332%0.318SS..Hα-helixtrans-61.3-35.3173.8-176.7178.6-179.7179.30113.1Q266 L268Q266-K270 VanDerWaalsContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CB 3.47Å; Q266-K270 PolarHBondContact O-N 3.35Å; L268-K270 VanDerWaalsContact C-N 3.3Å; L268-K270 PolarHBondContact O-N 3.44Å
271A93Very high92.8Very high8 Ų869.7 Ų69.77%0.06632%0.321CS..Hα-helixtrans-67.4-51.1173.800000110.3D267 L268 F269 E273 R274 H275 Y278 L283 L286D267-A271 WeakPolarHBondContact O-CB 3.43Å; D267-A271 PolarHBondContact O-N 3.32Å; L268-A271 WeakPolarHBondContact O-CB 3.08Å; L268-A271 PolarHBondContact O-N 3.23Å; L268-A271 VanDerWaalsContact O-N 3.08Å; F269-A271 VanDerWaalsContact C-N 3.29Å; F269-A271 PolarHBondContact O-N 3.23Å; A271-E273 PolarHBondContact O-N 2.92Å; A271-R274 WeakPolarHBondContact O-CA 3.38Å; A271-R274 WeakPolarHBondContact O-CB 3.49Å; A271-R274 PolarHBondContact O-N 3.18Å; A271-H275 PolarHBondContact O-N 3.41Å; A271-Y278 VanDerWaalsContact C-CE2 3.49Å; A271-Y278 HydrophobicContact CB-CE2 4.06Å; A271-Y278 WeakPolarHBondContact O-CE2 3.18Å; A271-Y278 PolarHBondContact O-OH 3.41Å; A271-L283 HydrophobicContact CB-CD2 4.35Å; A271-L286 HydrophobicContact CB-CD1 4.23Å
272F93.1Very high92.9Very high4 Ų470.5 Ų70.52%0.01833%0.328CS..Hα-helixtrans-64.4-24.7-178.5-77-66.3000114.4L268 F269 R274 H275 Y278 L283 L298 W314 L316L268-F272 HydrophobicContact CD2-CE2 4.31Å; L268-F272 WeakPolarHBondContact O-CD2 3.45Å; L268-F272 PolarHBondContact O-N 2.68Å; F269-F272 PolarHBondContact O-N 3.02Å; F272-R274 PolarHBondContact O-N 2.96Å; F272-H275 CarbonylContact C-O 3.51Å; F272-H275 WeakPolarHBondContact CA-O 3.44Å; F272-H275 CarbonylContact O-C 3.48Å; F272-H275 VanDerWaalsContact O-O 3.06Å; F272-Y278 AromaticContact CD1-CD2 3.86Å; F272-Y278 HydrophobicContact CD1-CD2 3.86Å; F272-Y278 AromaticContact CE1-CD2 3.93Å; F272-Y278 HydrophobicContact CE1-CD2 3.93Å; F272-L283 HydrophobicContact CZ-CD1 4.21Å; F272-L298 HydrophobicContact CE2-CD2 4.07Å; F272-L298 HydrophobicContact CZ-CD2 4.22Å; F272-W314 WeakPolarHBondContact CE1-O 3.38Å; F272-W314 HydrophobicContact CZ-CB 4.18Å; F272-L316 HydrophobicContact CB-CD1 3.45Å; F272-L316 VanDerWaalsContact CB-CD1 3.45Å; F272-L316 HydrophobicContact CB-CG 3.79Å; F272-L316 HydrophobicContact CD1-CG 4.15Å; F272-L316 HydrophobicContact CD2-CD1 4.03Å; F272-L316 HydrophobicContact CD2-CD2 3.57Å; F272-L316 HydrophobicContact CD2-CG 3.59Å; F272-L316 HydrophobicContact CE2-CD2 3.89Å; F272-L316 HydrophobicContact CE2-CG 4.19Å; F272-L316 HydrophobicContact CG-CD1 3.85Å; F272-L316 HydrophobicContact CG-CD2 4.12Å; F272-L316 HydrophobicContact CG-CG 3.59Å
273E89.3Confident92.9Very high102 Ų10264.3 Ų64.348%0.47730%0.299SS..Hα-helixtrans-62.7-29169.7-164.864.2-160.400112F269 A271 T324F269-E273 PolarHBondContact O-N 3.43Å; A271-E273 PolarHBondContact O-N 2.92Å; E273-T324 PolarHBondContact OE1-OG1 3.1Å
274R90.9Very high92.8Very high174 Ų17461.9 Ų61.966%0.65729%0.287SS*.Hα-helixtrans-83.1-41.3178.3-62.7177.7171.5-173.8-4.9112.7A271 F272A271-R274 WeakPolarHBondContact O-CA 3.38Å; A271-R274 WeakPolarHBondContact O-CB 3.49Å; A271-R274 PolarHBondContact O-N 3.18Å; F272-R274 PolarHBondContact O-N 2.96Å
275H91.5Very high92.7Very high114 Ų11467 Ų6753%0.52832%0.318SS..  trans-141.2131.8177.4-55.979.9000110.2A271 F272 Y277 Y278A271-H275 PolarHBondContact O-N 3.41Å; F272-H275 CarbonylContact C-O 3.51Å; F272-H275 WeakPolarHBondContact CA-O 3.44Å; F272-H275 CarbonylContact O-C 3.48Å; F272-H275 VanDerWaalsContact O-O 3.06Å; H275-Y277 PolarHBondContact O-N 3.11Å; H275-Y278 HydrophobicContact CB-CD2 4.3Å; H275-Y278 HydrophobicContact CB-CE2 3.63Å; H275-Y278 AromaticContact ND1-CZ 3.65Å; H275-Y278 PolarHBondContact ND1-OH 2.8Å; H275-Y278 WeakPolarHBondContact O-CD2 3.34Å; H275-Y278 VanDerWaalsContact O-CE2 3.28Å; H275-Y278 WeakPolarHBondContact O-CE2 3.35Å
276Q90.8Very high92.6Very high71 Ų7169.2 Ų69.233%0.33233%0.33SS..SBendtrans-61.6-30-179.9172.2164.518.100113.8Y323Q276-Y323 WeakPolarHBondContact CG-OH 3Å; Q276-Y323 PolarHBondContact NE2-OH 2.78Å
277Y93.2Very high92.5Very high62 Ų6263.3 Ų63.324%0.24330%0.303CS..  trans-125130.9-175.3-51.2-85.6000110.1H275 H310 M313 W314 E315H275-Y277 PolarHBondContact O-N 3.11Å; Y277-H310 HydrophobicContact CD1-CB 3.73Å; Y277-H310 AromaticContact CD1-CD2 3.84Å; Y277-H310 AromaticContact CD1-CG 3.6Å; Y277-H310 AromaticContact CD2-CD2 3.84Å; Y277-H310 AromaticContact CD2-CE1 3.55Å; Y277-H310 AromaticContact CD2-CG 3.89Å; Y277-H310 AromaticContact CD2-ND1 3.71Å; Y277-H310 AromaticContact CD2-NE2 3.66Å; Y277-H310 HydrophobicContact CE1-CB 4.03Å; Y277-H310 AromaticContact CE1-CD2 3.49Å; Y277-H310 VanDerWaalsContact CE1-CD2 3.49Å; Y277-H310 WeakPolarHBondContact CE1-CD2 3.5Å; Y277-H310 AromaticContact CE1-CG 3.74Å; Y277-H310 AromaticContact CE2-CD2 3.55Å; Y277-H310 AromaticContact CE2-CE1 3.76Å; Y277-H310 AromaticContact CE2-NE2 3.36Å; Y277-H310 WeakPolarHBondContact CE2-NE2 3.32Å; Y277-H310 HydrophobicContact CG-CB 4.16Å; Y277-H310 AromaticContact CG-CD2 3.99Å; Y277-H310 AromaticContact CG-CG 3.67Å; Y277-H310 AromaticContact CG-ND1 3.69Å; Y277-H310 AromaticContact CZ-CD2 3.38Å; Y277-H310 AromaticContact CZ-NE2 3.69Å; Y277-M313 VanDerWaalsContact C-CE 3.48Å; Y277-M313 VanDerWaalsContact CB-CE 3.43Å; Y277-M313 VanDerWaalsContact O-CE 3.31Å; Y277-M313 WeakPolarHBondContact O-CE 3.28Å; Y277-W314 WeakPolarHBondContact CA-O 3.26Å; Y277-E315 HydrophobicContact CD1-CB 4.02Å; Y277-E315 HydrophobicContact CE1-CB 4.23Å; Y277-E315 WeakPolarHBondContact CE1-OE2 3.09Å
278Y95.3Very high92.4Very high22 Ų2266.5 Ų66.59%0.08631%0.314CS..EExtended strand (participates in β ladder)trans-128.2145.3173.8-86.4-80.7000112.7A271 F272 H275 D282 L283 L286 M313 W314A271-Y278 VanDerWaalsContact C-CE2 3.49Å; A271-Y278 HydrophobicContact CB-CE2 4.06Å; A271-Y278 WeakPolarHBondContact O-CE2 3.18Å; A271-Y278 PolarHBondContact O-OH 3.41Å; F272-Y278 AromaticContact CD1-CD2 3.86Å; F272-Y278 HydrophobicContact CD1-CD2 3.86Å; F272-Y278 AromaticContact CE1-CD2 3.93Å; F272-Y278 HydrophobicContact CE1-CD2 3.93Å; H275-Y278 HydrophobicContact CB-CD2 4.3Å; H275-Y278 HydrophobicContact CB-CE2 3.63Å; H275-Y278 AromaticContact ND1-CZ 3.65Å; H275-Y278 PolarHBondContact ND1-OH 2.8Å; H275-Y278 WeakPolarHBondContact O-CD2 3.34Å; H275-Y278 VanDerWaalsContact O-CE2 3.28Å; H275-Y278 WeakPolarHBondContact O-CE2 3.35Å; Y278-D282 HydrophobicContact CD1-CB 4.07Å; Y278-L283 HydrophobicContact CD1-CD2 4.09Å; Y278-L283 HydrophobicContact CD2-CD2 4.13Å; Y278-L283 HydrophobicContact CG-CD2 3.69Å; Y278-L283 HydrophobicContact CG-CG 4.25Å; Y278-L286 HydrophobicContact CD1-CD1 4.36Å; Y278-L286 HydrophobicContact CE1-CD1 3.73Å; Y278-M313 CarbonylContact O-C 3.54Å; Y278-M313 WeakPolarHBondContact O-CA 3.37Å; Y278-W314 PolarHBondContact N-O 2.95Å; Y278-W314 PolarHBondContact O-N 2.84Å
279S94.5Very high92.2Very high36 Ų3666.7 Ų66.725%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-76.5145.9164.6-175.50000110K281 D282 L283S279-K281 PolarHBondContact O-N 3.33Å; S279-K281 VanDerWaalsContact O-N 3.14Å; S279-D282 WeakPolarHBondContact CB-OD2 3.49Å; S279-D282 PolarHBondContact O-N 2.82Å; S279-D282 VanDerWaalsContact O-N 3.08Å; S279-L283 PolarHBondContact O-N 2.9Å
280I94.1Very high92.1Very high34 Ų3467 Ų6717%0.17432%0.322CS..Hα-helixtrans-58-31.1177.6-16764.7000112.3V284 L291 L294 T295 L298I280-V284 VanDerWaalsContact O-CG2 3.31Å; I280-V284 WeakPolarHBondContact O-CG2 3.42Å; I280-V284 PolarHBondContact O-N 2.79Å; I280-V284 VanDerWaalsContact O-N 3.09Å; I280-L291 HydrophobicContact CB-CD1 4.3Å; I280-L291 HydrophobicContact CD1-CD1 4.09Å; I280-L291 HydrophobicContact CG1-CD1 3.18Å; I280-L291 HydrophobicContact CG2-CD1 4.18Å; I280-L294 HydrophobicContact CD1-CD2 3.64Å; I280-L294 HydrophobicContact CD1-CG 4.18Å; I280-T295 HydrophobicContact CD1-CG2 4.03Å; I280-T295 HydrophobicContact CG1-CG2 4.34Å; I280-L298 HydrophobicContact CD1-CD1 3.38Å
281K93.4Very high92.1Very high158 Ų15865.5 Ų65.569%0.68732%0.319SS*.Hα-helixtrans-65.2-41.4177.6-66-177.7179.5-178.90112.1S279 V284 V285S279-K281 PolarHBondContact O-N 3.33Å; S279-K281 VanDerWaalsContact O-N 3.14Å; K281-V284 WeakPolarHBondContact O-CB 3.17Å; K281-V284 PolarHBondContact O-N 3.13Å; K281-V285 WeakPolarHBondContact O-CG2 3.35Å; K281-V285 PolarHBondContact O-N 3.3Å; K281-V285 VanDerWaalsContact O-N 3.17Å
282D94.3Very high92Very high81 Ų8168.1 Ų68.143%0.43334%0.341SS..Hα-helixtrans-70.3-39.2-178.3-56-29.9000110.4Y278 S279 V284 V285 L286Y278-D282 HydrophobicContact CD1-CB 4.07Å; S279-D282 WeakPolarHBondContact CB-OD2 3.49Å; S279-D282 PolarHBondContact O-N 2.82Å; S279-D282 VanDerWaalsContact O-N 3.08Å; D282-V284 VanDerWaalsContact C-N 3.3Å; D282-V284 PolarHBondContact O-N 2.83Å; D282-V285 PolarHBondContact O-N 2.84Å; D282-V285 VanDerWaalsContact O-N 3.15Å; D282-L286 WeakPolarHBondContact O-CG 3.26Å; D282-L286 PolarHBondContact O-N 3.21Å
283L93.7Very high92Very high0 Ų069 Ų690%035%0.345CS..Hα-helixtrans-64.2-35.7174.9-62.5175.6000112L268 A271 F272 Y278 S279 V285 L286 T287 L294 L298L268-L283 HydrophobicContact CD2-CD1 4.21Å; L268-L283 HydrophobicContact CD2-CD2 3.94Å; L268-L283 HydrophobicContact CD2-CG 4.47Å; A271-L283 HydrophobicContact CB-CD2 4.35Å; F272-L283 HydrophobicContact CZ-CD1 4.21Å; Y278-L283 HydrophobicContact CD1-CD2 4.09Å; Y278-L283 HydrophobicContact CD2-CD2 4.13Å; Y278-L283 HydrophobicContact CG-CD2 3.69Å; Y278-L283 HydrophobicContact CG-CG 4.25Å; S279-L283 PolarHBondContact O-N 2.9Å; L283-V285 VanDerWaalsContact C-N 3.33Å; L283-L286 PolarHBondContact O-N 3.12Å; L283-T287 WeakPolarHBondContact O-CB 3.31Å; L283-T287 WeakPolarHBondContact O-CG2 3.04Å; L283-T287 PolarHBondContact O-N 3.13Å; L283-T287 PolarHBondContact O-OG1 3.15Å; L283-L294 HydrophobicContact CB-CD2 3.42Å; L283-L294 VanDerWaalsContact CB-CD2 3.42Å; L283-L294 HydrophobicContact CD1-CD2 4.42Å; L283-L298 HydrophobicContact CD1-CD1 3.79Å; L283-L298 HydrophobicContact CD1-CD2 4.18Å
284V92.1Very high92.2Very high40 Ų4064.1 Ų64.124%0.24232%0.322CS..Hα-helixtrans-62.7-40.7173.1168.50000111I280 K281 D282 K288 L291 L294I280-V284 VanDerWaalsContact O-CG2 3.31Å; I280-V284 WeakPolarHBondContact O-CG2 3.42Å; I280-V284 PolarHBondContact O-N 2.79Å; I280-V284 VanDerWaalsContact O-N 3.09Å; K281-V284 WeakPolarHBondContact O-CB 3.17Å; K281-V284 PolarHBondContact O-N 3.13Å; D282-V284 VanDerWaalsContact C-N 3.3Å; D282-V284 PolarHBondContact O-N 2.83Å; V284-K288 WeakPolarHBondContact O-CA 3.04Å; V284-K288 PolarHBondContact O-N 3.19Å; V284-L291 HydrophobicContact CG2-CB 4.27Å; V284-L291 HydrophobicContact CG2-CD1 3.97Å; V284-L294 HydrophobicContact CG2-CD2 4.04Å
285V90.7Very high92.4Very high108 Ų10857.7 Ų57.766%0.65530%0.302SS*.Hα-helixtrans-68.3-43.2177.2175.20000111.6K281 D282 L283K281-V285 WeakPolarHBondContact O-CG2 3.35Å; K281-V285 PolarHBondContact O-N 3.3Å; K281-V285 VanDerWaalsContact O-N 3.17Å; D282-V285 PolarHBondContact O-N 2.84Å; D282-V285 VanDerWaalsContact O-N 3.15Å; L283-V285 VanDerWaalsContact C-N 3.33Å
286L91.3Very high92.5Very high89 Ų8957 Ų5747%0.46630%0.299SS..Hα-helixtrans-70-47.8-178.3-70.9173.5000112.5A271 Y278 D282 L283A271-L286 HydrophobicContact CB-CD1 4.23Å; Y278-L286 HydrophobicContact CD1-CD1 4.36Å; Y278-L286 HydrophobicContact CE1-CD1 3.73Å; D282-L286 WeakPolarHBondContact O-CG 3.26Å; D282-L286 PolarHBondContact O-N 3.21Å; L283-L286 PolarHBondContact O-N 3.12Å
287T91.1Very high92.7Very high2 Ų253.8 Ų53.81%0.01228%0.284CS..Hα-helixtrans-85.9-15.5-176.465.20000112.8R259 D267 L268 L283 Q289 L294R259-T287 PolarHBondContact NH2-O 3.19Å; D267-T287 HydrophobicContact CB-CG2 4.35Å; L268-T287 HydrophobicContact CD2-CG2 4.06Å; L268-T287 HydrophobicContact CG-CG2 4.31Å; L283-T287 WeakPolarHBondContact O-CB 3.31Å; L283-T287 WeakPolarHBondContact O-CG2 3.04Å; L283-T287 PolarHBondContact O-N 3.13Å; L283-T287 PolarHBondContact O-OG1 3.15Å; T287-Q289 WeakPolarHBondContact O-CG 2.77Å; T287-Q289 PolarHBondContact O-N 2.85Å; T287-Q289 PolarHBondContact O-NE2 3.49Å; T287-Q289 VanDerWaalsContact O-NE2 3.15Å; T287-Q289 PolarHBondContact OG1-N 3.49Å; T287-L294 HydrophobicContact CG2-CD1 4.28Å
288K89.9Confident92.7Very high117 Ų11750.8 Ų50.851%0.50927%0.272SS..  trans51.437.6-174-63.7-173-179.7-174.20112.1N256 V284N256-K288 WeakPolarHBondContact CB-O 3.46Å; N256-K288 PolarHBondContact ND2-O 2.82Å; N256-K288 WeakPolarHBondContact OD1-CB 3.4Å; V284-K288 WeakPolarHBondContact O-CA 3.04Å; V284-K288 PolarHBondContact O-N 3.19Å
289Q89.4Confident92.7Very high3 Ų356.7 Ų56.71%0.01430%0.298CS..  trans-110.3150179.2-63.3-51.8-62.400111.2L257 V264 T287 L291L257-Q289 PolarHBondContact O-NE2 2.83Å; L257-Q289 PolarHBondContact O-OE1 3.13Å; V264-Q289 HydrophobicContact CG1-CG 4.05Å; V264-Q289 HydrophobicContact CG2-CG 3.65Å; T287-Q289 WeakPolarHBondContact O-CG 2.77Å; T287-Q289 PolarHBondContact O-N 2.85Å; T287-Q289 PolarHBondContact O-NE2 3.49Å; T287-Q289 VanDerWaalsContact O-NE2 3.15Å; T287-Q289 PolarHBondContact OG1-N 3.49Å; Q289-L291 PolarHBondContact O-N 2.87Å
290P90.4Very high92.7Very high56 Ų5659.7 Ų59.736%0.36431%0.308SS..  trans-57139174.2-2433.9000112A292 Y293 L294P290-A292 VanDerWaalsContact C-N 3.26Å; P290-A292 PolarHBondContact O-N 2.82Å; P290-Y293 PolarHBondContact O-N 2.8Å; P290-Y293 VanDerWaalsContact O-N 3.11Å; P290-L294 PolarHBondContact O-N 3.45Å; P290-L294 VanDerWaalsContact O-N 3.11Å
291L91.1Very high92.6Very high94 Ų9458.4 Ų58.449%0.49230%0.302SS..Hα-helixtrans-50-45.2-179.317965.6000112.6I280 V284 Q289 Y293 L294 T295I280-L291 HydrophobicContact CB-CD1 4.3Å; I280-L291 HydrophobicContact CD1-CD1 4.09Å; I280-L291 HydrophobicContact CG1-CD1 3.18Å; I280-L291 HydrophobicContact CG2-CD1 4.18Å; V284-L291 HydrophobicContact CG2-CB 4.27Å; V284-L291 HydrophobicContact CG2-CD1 3.97Å; Q289-L291 PolarHBondContact O-N 2.87Å; L291-Y293 PolarHBondContact O-N 2.76Å; L291-L294 PolarHBondContact O-N 2.79Å; L291-T295 HydrophobicContact CD1-CG2 4.44Å; L291-T295 WeakPolarHBondContact O-CG2 3.26Å; L291-T295 PolarHBondContact O-N 2.87Å; L291-T295 PolarHBondContact O-OG1 3.3Å
292A92.4Very high92.6Very high64 Ų6451.2 Ų51.253%0.52927%0.271SS..Hα-helixtrans-60-48.1-179.100000112P290 L294 T295 E296P290-A292 VanDerWaalsContact C-N 3.26Å; P290-A292 PolarHBondContact O-N 2.82Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 3.41Å; A292-T295 PolarHBondContact O-N 3.19Å; A292-T295 PolarHBondContact O-OG1 3.42Å; A292-E296 PolarHBondContact O-N 3.24Å; A292-E296 VanDerWaalsContact O-N 3.17Å
293Y93Very high92.5Very high22 Ų2250.5 Ų50.59%0.08627%0.267CS..Hα-helixtrans-64.9-41.4-179.2-178.1-137000112R258 R259 K261 V264 P290 L291 T295 E296 I297R258-Y293 HydrophobicContact CG-CD1 3.67Å; R258-Y293 HydrophobicContact CG-CE1 3.7Å; R258-Y293 HydrophobicContact CG-CG 4.16Å; R258-Y293 VanDerWaalsContact NE-CD2 3.3Å; R258-Y293 VanDerWaalsContact NE-CE2 3.33Å; R259-Y293 WeakPolarHBondContact O-CE1 3.3Å; R259-Y293 PolarHBondContact O-OH 2.92Å; K261-Y293 WeakPolarHBondContact CA-OH 3.5Å; K261-Y293 WeakPolarHBondContact CB-OH 3.28Å; K261-Y293 PolarHBondContact N-OH 3.16Å; V264-Y293 HydrophobicContact CG2-CE1 4.15Å; P290-Y293 PolarHBondContact O-N 2.8Å; P290-Y293 VanDerWaalsContact O-N 3.11Å; L291-Y293 PolarHBondContact O-N 2.76Å; Y293-T295 VanDerWaalsContact C-N 3.29Å; Y293-T295 PolarHBondContact O-N 3.41Å; Y293-E296 WeakPolarHBondContact O-CB 3.48Å; Y293-E296 PolarHBondContact O-N 2.86Å; Y293-E296 VanDerWaalsContact O-N 3.16Å; Y293-I297 HydrophobicContact CD1-CD1 4.28Å; Y293-I297 HydrophobicContact CD2-CD1 4.33Å; Y293-I297 HydrophobicContact CD2-CG1 4.47Å; Y293-I297 HydrophobicContact CE1-CD1 3.85Å; Y293-I297 HydrophobicContact CE2-CD1 3.9Å; Y293-I297 HydrophobicContact CE2-CG1 4.13Å; Y293-I297 PolarHBondContact O-N 2.8Å
294L94.2Very high92.5Very high0 Ų054.6 Ų54.60%029%0.285CS..Hα-helixtrans-62.2-39.3177.2-163.971.4000111.7V264 L268 I280 L283 V284 T287 P290 L291 A292 E296 I297 L298V264-L294 HydrophobicContact CG1-CD1 4.12Å; L268-L294 HydrophobicContact CD1-CD1 4.01Å; L268-L294 HydrophobicContact CD2-CD1 3.93Å; L268-L294 HydrophobicContact CG-CD1 4.27Å; I280-L294 HydrophobicContact CD1-CD2 3.64Å; I280-L294 HydrophobicContact CD1-CG 4.18Å; L283-L294 HydrophobicContact CB-CD2 3.42Å; L283-L294 VanDerWaalsContact CB-CD2 3.42Å; L283-L294 HydrophobicContact CD1-CD2 4.42Å; V284-L294 HydrophobicContact CG2-CD2 4.04Å; T287-L294 HydrophobicContact CG2-CD1 4.28Å; P290-L294 PolarHBondContact O-N 3.45Å; P290-L294 VanDerWaalsContact O-N 3.11Å; L291-L294 PolarHBondContact O-N 2.79Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 3.41Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 3.38Å; L294-I297 PolarHBondContact O-N 3.25Å; L294-L298 HydrophobicContact CD2-CD1 4.28Å; L294-L298 HydrophobicContact CG-CD1 3.93Å; L294-L298 HydrophobicContact CG-CG 4.4Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 VanDerWaalsContact O-CG 3.22Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 2.78Å
295T93.1Very high92.5Very high38 Ų3854 Ų5423%0.23328%0.28CS..Hα-helixtrans-67.7-28.8176.259.70000113.6I280 L291 A292 Y293 K299I280-T295 HydrophobicContact CD1-CG2 4.03Å; I280-T295 HydrophobicContact CG1-CG2 4.34Å; L291-T295 HydrophobicContact CD1-CG2 4.44Å; L291-T295 WeakPolarHBondContact O-CG2 3.26Å; L291-T295 PolarHBondContact O-N 2.87Å; L291-T295 PolarHBondContact O-OG1 3.3Å; A292-T295 PolarHBondContact O-N 3.19Å; A292-T295 PolarHBondContact O-OG1 3.42Å; Y293-T295 VanDerWaalsContact C-N 3.29Å; Y293-T295 PolarHBondContact O-N 3.41Å; T295-K299 WeakPolarHBondContact O-CD 3.46Å; T295-K299 WeakPolarHBondContact O-CG 3.49Å; T295-K299 PolarHBondContact O-N 3.34Å
296E94.6Very high92.6Very high100 Ų10052.7 Ų52.747%0.46727%0.273SS..Hα-helixtrans-65.2-49.9172.9-69.5172.6179.700110.5R258 A292 Y293 L294 K299R258-E296 IonicContact NH2-OE2 2.68Å; R258-E296 PolarHBondContact NH2-OE2 3.19Å; A292-E296 PolarHBondContact O-N 3.24Å; A292-E296 VanDerWaalsContact O-N 3.17Å; Y293-E296 WeakPolarHBondContact O-CB 3.48Å; Y293-E296 PolarHBondContact O-N 2.86Å; Y293-E296 VanDerWaalsContact O-N 3.16Å; L294-E296 VanDerWaalsContact C-N 3.32Å; L294-E296 PolarHBondContact O-N 3.38Å; E296-K299 PolarHBondContact O-N 2.96Å
297I94.4Very high92.4Very high3 Ų355.6 Ų55.62%0.01528%0.284CS..Hα-helixtrans-63.7-45.6179.1-60.7172000110.8K261 V264 L268 Y293 L294 K299 E300 I301K261-I297 HydrophobicContact CG-CD1 4.34Å; K261-I297 HydrophobicContact CG-CG1 4.38Å; V264-I297 HydrophobicContact CB-CD1 3.98Å; V264-I297 HydrophobicContact CG1-CD1 3.68Å; L268-I297 HydrophobicContact CD1-CG2 3.8Å; Y293-I297 HydrophobicContact CD1-CD1 4.28Å; Y293-I297 HydrophobicContact CD2-CD1 4.33Å; Y293-I297 HydrophobicContact CD2-CG1 4.47Å; Y293-I297 HydrophobicContact CE1-CD1 3.85Å; Y293-I297 HydrophobicContact CE2-CD1 3.9Å; Y293-I297 HydrophobicContact CE2-CG1 4.13Å; Y293-I297 PolarHBondContact O-N 2.8Å; L294-I297 PolarHBondContact O-N 3.25Å; I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 3.5Å; I297-E300 WeakPolarHBondContact O-CB 3.39Å; I297-E300 PolarHBondContact O-N 3.34Å; I297-I301 HydrophobicContact CG2-CD1 4.01Å; I297-I301 HydrophobicContact CG2-CG1 4.48Å; I297-I301 PolarHBondContact O-N 2.65Å
298L94.4Very high92.2Very high0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-63.7-30.8-178.6-73.8170000113L268 F272 I280 L283 L294 E300 I301 A302 W314L268-L298 HydrophobicContact CD1-CD2 4.29Å; L268-L298 HydrophobicContact CD2-CD2 4.31Å; F272-L298 HydrophobicContact CE2-CD2 4.07Å; F272-L298 HydrophobicContact CZ-CD2 4.22Å; I280-L298 HydrophobicContact CD1-CD1 3.38Å; L283-L298 HydrophobicContact CD1-CD1 3.79Å; L283-L298 HydrophobicContact CD1-CD2 4.18Å; L294-L298 HydrophobicContact CD2-CD1 4.28Å; L294-L298 HydrophobicContact CG-CD1 3.93Å; L294-L298 HydrophobicContact CG-CG 4.4Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 VanDerWaalsContact O-CG 3.22Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 2.78Å; L298-E300 PolarHBondContact O-N 2.97Å; L298-I301 PolarHBondContact O-N 2.77Å; L298-A302 HydrophobicContact CB-CB 4.37Å; L298-A302 HydrophobicContact CD2-CB 3.81Å; L298-A302 CarbonylContact O-C 3.58Å; L298-A302 VanDerWaalsContact O-CA 3.32Å; L298-A302 WeakPolarHBondContact O-CA 3.39Å; L298-A302 WeakPolarHBondContact O-CB 3.4Å; L298-A302 PolarHBondContact O-N 3.09Å; L298-A302 VanDerWaalsContact O-O 3.09Å; L298-W314 HydrophobicContact CB-CD2 4.02Å; L298-W314 HydrophobicContact CB-CE3 3.73Å; L298-W314 HydrophobicContact CB-CH2 4.06Å; L298-W314 HydrophobicContact CB-CZ2 4.36Å; L298-W314 HydrophobicContact CB-CZ3 3.74Å; L298-W314 HydrophobicContact CD1-CD2 3.92Å; L298-W314 HydrophobicContact CD1-CE3 4.48Å; L298-W314 HydrophobicContact CD1-CG 3.96Å; L298-W314 HydrophobicContact CD2-CB 4.47Å; L298-W314 HydrophobicContact CG-CD2 4.41Å; L298-W314 HydrophobicContact CG-CE3 4.5Å
299K94Very high92Very high146 Ų14662 Ų6264%0.63533%0.328SS*.Hα-helixtrans-63.2-28.7173.2-76.4167.2-176.5179.30112.6T295 E296 I297 W314T295-K299 WeakPolarHBondContact O-CD 3.46Å; T295-K299 WeakPolarHBondContact O-CG 3.49Å; T295-K299 PolarHBondContact O-N 3.34Å; E296-K299 PolarHBondContact O-N 2.96Å; I297-K299 VanDerWaalsContact C-N 3.28Å; I297-K299 PolarHBondContact O-N 3.5Å; K299-W314 HydrophobicContact CG-CH2 4.33Å
300E94.1Very high92Very high99 Ų9964.7 Ų64.746%0.46334%0.34SS..Hα-helixtrans-78.9-44.2178.5-62.6-178.4-15800111.9K261 I297 L298 K317K261-E300 WeakPolarHBondContact CE-OE2 3.41Å; K261-E300 IonicContact NZ-OE1 3.65Å; K261-E300 PolarHBondContact NZ-OE1 3.07Å; K261-E300 IonicContact NZ-OE2 3.16Å; K261-E300 PolarHBondContact NZ-OE2 2.9Å; I297-E300 WeakPolarHBondContact O-CB 3.39Å; I297-E300 PolarHBondContact O-N 3.34Å; L298-E300 PolarHBondContact O-N 2.97Å; E300-K317 WeakPolarHBondContact O-CE 3.17Å; E300-K317 PolarHBondContact O-NZ 2.95Å
301I93Very high92Very high7 Ų767.8 Ų67.84%0.03635%0.348CS..Hα-helixtrans-107.4-16.3-168.366.7176.3000115.4L265 L268 F269 I297 L298 L316 K317 Y320L265-I301 HydrophobicContact CD1-CD1 4.29Å; L265-I301 HydrophobicContact CD1-CG2 3.96Å; L268-I301 HydrophobicContact CB-CD1 4.48Å; L268-I301 HydrophobicContact CD1-CD1 4.02Å; F269-I301 HydrophobicContact CE1-CD1 4.35Å; I297-I301 HydrophobicContact CG2-CD1 4.01Å; I297-I301 HydrophobicContact CG2-CG1 4.48Å; I297-I301 PolarHBondContact O-N 2.65Å; L298-I301 PolarHBondContact O-N 2.77Å; I301-L316 HydrophobicContact CD1-CD2 4.34Å; I301-L316 HydrophobicContact CG1-CD2 4.38Å; I301-K317 PolarHBondContact O-N 2.84Å; I301-Y320 HydrophobicContact CB-CD2 4.47Å
302A92.8Very high92Very high6 Ų667.4 Ų67.45%0.0535%0.347CS..EExtended strand (participates in β ladder)trans-128.1163.2-171.400000112.5L298 W314 E315L298-A302 HydrophobicContact CB-CB 4.37Å; L298-A302 HydrophobicContact CD2-CB 3.81Å; L298-A302 CarbonylContact O-C 3.58Å; L298-A302 VanDerWaalsContact O-CA 3.32Å; L298-A302 WeakPolarHBondContact O-CA 3.39Å; L298-A302 WeakPolarHBondContact O-CB 3.4Å; L298-A302 PolarHBondContact O-N 3.09Å; L298-A302 VanDerWaalsContact O-O 3.09Å; A302-W314 HydrophobicContact CB-CE3 3.82Å; A302-E315 CarbonylContact C-O 3.34Å; A302-E315 WeakPolarHBondContact CA-O 3.22Å; A302-E315 VanDerWaalsContact CB-O 3.22Å; A302-E315 WeakPolarHBondContact CB-O 3.41Å
303I92.6Very high92.1Very high66 Ų6666.5 Ų66.534%0.33833%0.332SS..EExtended strand (participates in β ladder)trans-112.2136.5177.3-57.3172.9000107.6W314 E315 K317I303-W314 WeakPolarHBondContact O-CA 3.4Å; I303-E315 HydrophobicContact CB-CG 4.04Å; I303-E315 PolarHBondContact N-O 2.8Å; I303-E315 PolarHBondContact O-N 2.85Å; I303-K317 HydrophobicContact CD1-CG 4.13Å; I303-K317 HydrophobicContact CG1-CG 3.76Å
304F94.9Very high92.2Very high87 Ų8766.6 Ų66.638%0.38233%0.332SS..EExtended strand (participates in β ladder)trans-92.7115.5176.2179.3-107.2000110.3T306 N312 W314F304-T306 HydrophobicContact CD1-CG2 3.89Å; F304-T306 HydrophobicContact CE1-CG2 3.9Å; F304-N312 HydrophobicContact CE2-CB 4.19Å; F304-N312 HydrophobicContact CZ-CB 4.07Å; F304-W314 HydrophobicContact CB-CD2 4.34Å; F304-W314 HydrophobicContact CB-CE3 4.08Å; F304-W314 HydrophobicContact CB-CH2 4.03Å; F304-W314 HydrophobicContact CB-CZ2 4.25Å; F304-W314 HydrophobicContact CB-CZ3 3.94Å; F304-W314 HydrophobicContact CD2-CD2 4.16Å; F304-W314 AromaticContact CD2-CE2 3.73Å; F304-W314 AromaticContact CD2-CZ2 3.99Å; F304-W314 HydrophobicContact CD2-CZ2 3.99Å; F304-W314 AromaticContact CD2-NE1 3.83Å; F304-W314 HydrophobicContact CG-CZ2 4.43Å
305N91.4Very high92.2Very high27 Ų2767.8 Ų67.814%0.14434%0.337CS..EExtended strand (participates in β ladder)trans-82.4119.3-177.9-72.1-14.4000110.9H310 K311 N312 M313 E315N305-H310 VanDerWaalsContact CB-O 3.24Å; N305-H310 WeakPolarHBondContact CB-O 3.38Å; N305-K311 CarbonylContact O-C 3.48Å; N305-N312 PolarHBondContact O-N 2.93Å; N305-M313 PolarHBondContact N-O 3.13Å; N305-E315 VanDerWaalsContact ND2-CD 3.3Å; N305-E315 PolarHBondContact ND2-OE2 3.22Å
306T91.5Very high92.2Very high81 Ų8166.4 Ų66.450%0.49733%0.329SS..  trans-96.2-12.7177.353.10000113.2F304 K311F304-T306 HydrophobicContact CD1-CG2 3.89Å; F304-T306 HydrophobicContact CE1-CG2 3.9Å; T306-K311 WeakPolarHBondContact O-CG 3.46Å
307H88.4Confident92.1Very high150 Ų15064.9 Ų64.969%0.69432%0.321SS*.SBendtrans-99.6149.5-175.5-59.1-80.3000112.3H310 K311H307-H310 CarbonylContact O-C 3.57Å; H307-H310 PolarHBondContact O-N 2.91Å; H307-K311 WeakPolarHBondContact O-CA 3.48Å; H307-K311 PolarHBondContact O-N 2.8Å
308I86.5Confident91.6Very high147 Ų14769 Ų6975%0.75435%0.348SS*.SBendtrans-72141.6172.9-60.9161.3000107.3K311I308-K311 HydrophobicContact CG1-CB 4.36Å; I308-K311 HydrophobicContact CG1-CD 4.48Å
309P86.7Confident91.2Very high107 Ų10776.1 Ų76.170%0.69538%0.381SS*.SBendcis-83.8-21.613.530.2-33.3000116.1K311P309-K311 PolarHBondContact O-N 2.84Å
310H88.4Confident90.7Very high58 Ų5873.6 Ų73.627%0.26937%0.368SS..SBendtrans-97.639.7-172.7-58.8-62.5000113.4Y277 N305 H307 N312 M313Y277-H310 HydrophobicContact CD1-CB 3.73Å; Y277-H310 AromaticContact CD1-CD2 3.84Å; Y277-H310 AromaticContact CD1-CG 3.6Å; Y277-H310 AromaticContact CD2-CD2 3.84Å; Y277-H310 AromaticContact CD2-CE1 3.55Å; Y277-H310 AromaticContact CD2-CG 3.89Å; Y277-H310 AromaticContact CD2-ND1 3.71Å; Y277-H310 AromaticContact CD2-NE2 3.66Å; Y277-H310 HydrophobicContact CE1-CB 4.03Å; Y277-H310 AromaticContact CE1-CD2 3.49Å; Y277-H310 VanDerWaalsContact CE1-CD2 3.49Å; Y277-H310 WeakPolarHBondContact CE1-CD2 3.5Å; Y277-H310 AromaticContact CE1-CG 3.74Å; Y277-H310 AromaticContact CE2-CD2 3.55Å; Y277-H310 AromaticContact CE2-CE1 3.76Å; Y277-H310 AromaticContact CE2-NE2 3.36Å; Y277-H310 WeakPolarHBondContact CE2-NE2 3.32Å; Y277-H310 HydrophobicContact CG-CB 4.16Å; Y277-H310 AromaticContact CG-CD2 3.99Å; Y277-H310 AromaticContact CG-CG 3.67Å; Y277-H310 AromaticContact CG-ND1 3.69Å; Y277-H310 AromaticContact CZ-CD2 3.38Å; Y277-H310 AromaticContact CZ-NE2 3.69Å; N305-H310 VanDerWaalsContact CB-O 3.24Å; N305-H310 WeakPolarHBondContact CB-O 3.38Å; H307-H310 CarbonylContact O-C 3.57Å; H307-H310 PolarHBondContact O-N 2.91Å; H310-N312 PolarHBondContact O-N 2.94Å; H310-M313 HydrophobicContact CB-CB 4.24Å; H310-M313 HydrophobicContact CB-CG 4.29Å; H310-M313 HydrophobicContact CB-SD 3.77Å; H310-M313 VanDerWaalsContact O-CB 3.31Å; H310-M313 WeakPolarHBondContact O-CB 3.3Å; H310-M313 WeakPolarHBondContact O-CG 3.42Å; H310-M313 PolarHBondContact O-N 2.98Å; H310-M313 VanDerWaalsContact O-N 3.16Å
311K90.4Very high90Very high121 Ų12171.8 Ų71.853%0.52636%0.357SS..THydrogen-bonded Turntrans-62.8133.9-176.9-178.9175.9-177.9-176.60110.7N305 T306 H307 I308 P309 M313N305-K311 CarbonylContact O-C 3.48Å; T306-K311 WeakPolarHBondContact O-CG 3.46Å; H307-K311 WeakPolarHBondContact O-CA 3.48Å; H307-K311 PolarHBondContact O-N 2.8Å; I308-K311 HydrophobicContact CG1-CB 4.36Å; I308-K311 HydrophobicContact CG1-CD 4.48Å; P309-K311 PolarHBondContact O-N 2.84Å; K311-M313 PolarHBondContact O-N 2.94Å
312N92Very high88.7Confident87 Ų8778.3 Ų78.347%0.46539%0.387SS..THydrogen-bonded Turntrans63.823.1-176.6-50.5-34.6000114.5F304 N305 H310F304-N312 HydrophobicContact CE2-CB 4.19Å; F304-N312 HydrophobicContact CZ-CB 4.07Å; N305-N312 PolarHBondContact O-N 2.93Å; H310-N312 PolarHBondContact O-N 2.94Å
313M94.6Very high87.3Confident44 Ų4482.9 Ų82.922%0.21740%0.403CS..EExtended strand (participates in β ladder)trans-103.5153.3173.3-55.7-176.380.400110.4Y277 Y278 N305 H310 K311Y277-M313 VanDerWaalsContact C-CE 3.48Å; Y277-M313 VanDerWaalsContact CB-CE 3.43Å; Y277-M313 VanDerWaalsContact O-CE 3.31Å; Y277-M313 WeakPolarHBondContact O-CE 3.28Å; Y278-M313 CarbonylContact O-C 3.54Å; Y278-M313 WeakPolarHBondContact O-CA 3.37Å; N305-M313 PolarHBondContact N-O 3.13Å; H310-M313 HydrophobicContact CB-CB 4.24Å; H310-M313 HydrophobicContact CB-CG 4.29Å; H310-M313 HydrophobicContact CB-SD 3.77Å; H310-M313 VanDerWaalsContact O-CB 3.31Å; H310-M313 WeakPolarHBondContact O-CB 3.3Å; H310-M313 WeakPolarHBondContact O-CG 3.42Å; H310-M313 PolarHBondContact O-N 2.98Å; H310-M313 VanDerWaalsContact O-N 3.16Å; K311-M313 PolarHBondContact O-N 2.94Å
314W95.2Very high85.5Confident24 Ų2485 Ų859%0.09142%0.419CS..EExtended strand (participates in β ladder)trans-98141.6171.1-66.587000109.3F272 Y277 Y278 L298 K299 A302 I303 F304F272-W314 WeakPolarHBondContact CE1-O 3.38Å; F272-W314 HydrophobicContact CZ-CB 4.18Å; Y277-W314 WeakPolarHBondContact CA-O 3.26Å; Y278-W314 PolarHBondContact N-O 2.95Å; Y278-W314 PolarHBondContact O-N 2.84Å; L298-W314 HydrophobicContact CB-CD2 4.02Å; L298-W314 HydrophobicContact CB-CE3 3.73Å; L298-W314 HydrophobicContact CB-CH2 4.06Å; L298-W314 HydrophobicContact CB-CZ2 4.36Å; L298-W314 HydrophobicContact CB-CZ3 3.74Å; L298-W314 HydrophobicContact CD1-CD2 3.92Å; L298-W314 HydrophobicContact CD1-CE3 4.48Å; L298-W314 HydrophobicContact CD1-CG 3.96Å; L298-W314 HydrophobicContact CD2-CB 4.47Å; L298-W314 HydrophobicContact CG-CD2 4.41Å; L298-W314 HydrophobicContact CG-CE3 4.5Å; K299-W314 HydrophobicContact CG-CH2 4.33Å; A302-W314 HydrophobicContact CB-CE3 3.82Å; I303-W314 WeakPolarHBondContact O-CA 3.4Å; F304-W314 HydrophobicContact CB-CD2 4.34Å; F304-W314 HydrophobicContact CB-CE3 4.08Å; F304-W314 HydrophobicContact CB-CH2 4.03Å; F304-W314 HydrophobicContact CB-CZ2 4.25Å; F304-W314 HydrophobicContact CB-CZ3 3.94Å; F304-W314 HydrophobicContact CD2-CD2 4.16Å; F304-W314 AromaticContact CD2-CE2 3.73Å; F304-W314 AromaticContact CD2-CZ2 3.99Å; F304-W314 HydrophobicContact CD2-CZ2 3.99Å; F304-W314 AromaticContact CD2-NE1 3.83Å; F304-W314 HydrophobicContact CG-CZ2 4.43Å
315E92.4Very high83.3Confident25 Ų2588.9 Ų88.912%0.11744%0.439CS..EExtended strand (participates in β ladder)trans-131.2145.8171.860.1172.3-13400108.9Y277 A302 I303 N305 R321Y277-E315 HydrophobicContact CD1-CB 4.02Å; Y277-E315 HydrophobicContact CE1-CB 4.23Å; Y277-E315 WeakPolarHBondContact CE1-OE2 3.09Å; A302-E315 CarbonylContact C-O 3.34Å; A302-E315 WeakPolarHBondContact CA-O 3.22Å; A302-E315 VanDerWaalsContact CB-O 3.22Å; A302-E315 WeakPolarHBondContact CB-O 3.41Å; I303-E315 HydrophobicContact CB-CG 4.04Å; I303-E315 PolarHBondContact N-O 2.8Å; I303-E315 PolarHBondContact O-N 2.85Å; N305-E315 VanDerWaalsContact ND2-CD 3.3Å; N305-E315 PolarHBondContact ND2-OE2 3.22Å; E315-R321 IonicContact OE1-CZ 2.64Å; E315-R321 IonicContact OE1-NH1 3.46Å; E315-R321 IonicContact OE1-NH2 2.97Å; E315-R321 PolarHBondContact OE1-NH2 3.42Å; E315-R321 IonicContact OE2-NH2 2.76Å; E315-R321 PolarHBondContact OE2-NH2 2.82Å
316L93.5Very high81.4Confident10 Ų1093.1 Ų93.15%0.05247%0.468CS..EExtended strand (participates in β ladder)trans-62.4147.2175.8-71.6176.3000111.2F269 F272 I301 R321F269-L316 HydrophobicContact CD1-CD1 3.74Å; F269-L316 HydrophobicContact CD1-CD2 3.91Å; F269-L316 HydrophobicContact CD1-CG 4.5Å; F269-L316 HydrophobicContact CE1-CD1 4.11Å; F269-L316 HydrophobicContact CE1-CD2 3.76Å; F272-L316 HydrophobicContact CB-CD1 3.45Å; F272-L316 VanDerWaalsContact CB-CD1 3.45Å; F272-L316 HydrophobicContact CB-CG 3.79Å; F272-L316 HydrophobicContact CD1-CG 4.15Å; F272-L316 HydrophobicContact CD2-CD1 4.03Å; F272-L316 HydrophobicContact CD2-CD2 3.57Å; F272-L316 HydrophobicContact CD2-CG 3.59Å; F272-L316 HydrophobicContact CE2-CD2 3.89Å; F272-L316 HydrophobicContact CE2-CG 4.19Å; F272-L316 HydrophobicContact CG-CD1 3.85Å; F272-L316 HydrophobicContact CG-CD2 4.12Å; F272-L316 HydrophobicContact CG-CG 3.59Å; I301-L316 HydrophobicContact CD1-CD2 4.34Å; I301-L316 HydrophobicContact CG1-CD2 4.38Å; L316-R321 HydrophobicContact CB-CG 4.08Å; L316-R321 PolarHBondContact O-NE 2.73Å; L316-R321 PolarHBondContact O-NH2 3.03Å
317K92.6Very high79.1Confident68 Ų6897.8 Ų97.830%0.29648%0.484SS..  trans-58.2148.5169.2-71.5172.9173.6173.40109.9E300 I301 I303 E319 Y320 R321E300-K317 WeakPolarHBondContact O-CE 3.17Å; E300-K317 PolarHBondContact O-NZ 2.95Å; I301-K317 PolarHBondContact O-N 2.84Å; I303-K317 HydrophobicContact CD1-CG 4.13Å; I303-K317 HydrophobicContact CG1-CG 3.76Å; K317-E319 PolarHBondContact O-N 3.15Å; K317-Y320 HydrophobicContact CB-CD2 4.07Å; K317-Y320 HydrophobicContact CD-CE2 4.43Å; K317-Y320 PolarHBondContact O-N 2.95Å; K317-R321 PolarHBondContact O-N 2.81Å
318P85.1Confident76.9Confident89 Ų8997.5 Ų97.558%0.57849%0.488SS*.G310 helixtrans-51.1-33.2178.6-27.734.6000114.4Y320 R321P318-Y320 PolarHBondContact O-N 2.85Å; P318-R321 PolarHBondContact O-N 3.44Å
319E84.7Confident74.7Confident150 Ų15099.5 Ų99.570%0.70149%0.491SS*.G310 helixtrans-63.5-24177.9-63170.2-16700114K317K317-E319 PolarHBondContact O-N 3.15Å
320Y84.2Confident72.6Confident93 Ų93100.3 Ų100.337%0.36549%0.494SS..G310 helixtrans-108.32.8-179.6-60-72.3000113F269 I301 K317 P318 H322F269-Y320 HydrophobicContact CE1-CD1 4.36Å; F269-Y320 HydrophobicContact CE1-CG 4.22Å; F269-Y320 AromaticContact CZ-CD1 3.9Å; F269-Y320 HydrophobicContact CZ-CD1 3.9Å; F269-Y320 HydrophobicContact CZ-CG 4.19Å; I301-Y320 HydrophobicContact CB-CD2 4.47Å; K317-Y320 HydrophobicContact CB-CD2 4.07Å; K317-Y320 HydrophobicContact CD-CE2 4.43Å; K317-Y320 PolarHBondContact O-N 2.95Å; P318-Y320 PolarHBondContact O-N 2.85Å; Y320-H322 PolarHBondContact O-N 3.35Å; Y320-H322 PolarHBondContact O-ND1 2.97Å
321R79.2Confident70.7Confident61 Ų61105.8 Ų105.823%0.2352%0.52CS..  trans-8489.8178.7-73.3179177.7148.59110.7E315 L316 K317 P318 Y323E315-R321 IonicContact OE1-CZ 2.64Å; E315-R321 IonicContact OE1-NH1 3.46Å; E315-R321 IonicContact OE1-NH2 2.97Å; E315-R321 PolarHBondContact OE1-NH2 3.42Å; E315-R321 IonicContact OE2-NH2 2.76Å; E315-R321 PolarHBondContact OE2-NH2 2.82Å; L316-R321 HydrophobicContact CB-CG 4.08Å; L316-R321 PolarHBondContact O-NE 2.73Å; L316-R321 PolarHBondContact O-NH2 3.03Å; K317-R321 PolarHBondContact O-N 2.81Å; P318-R321 PolarHBondContact O-N 3.44Å; R321-Y323 VanDerWaalsContact C-N 3.32Å; R321-Y323 HydrophobicContact CB-CD2 4.21Å; R321-Y323 HydrophobicContact CB-CE2 3.89Å; R321-Y323 WeakPolarHBondContact CD-OH 3.22Å; R321-Y323 HydrophobicContact CG-CE2 3.94Å; R321-Y323 PolarHBondContact NE-OH 2.98Å; R321-Y323 PolarHBondContact O-N 3.09Å
322H65.9Low68.5Low143 Ų143104.7 Ų104.766%0.66253%0.527SS*.  trans-94.360.1170.9-59.988.3000110.2Y320 T324Y320-H322 PolarHBondContact O-N 3.35Å; Y320-H322 PolarHBondContact O-ND1 2.97Å; H322-T324 PolarHBondContact O-N 3.37Å
323Y62.4Low66.5Low102 Ų102108.8 Ų108.840%0.455%0.549SS..  trans-62.4110.7174.6-59.6-53.6000108.7Q276 R321 Q325Q276-Y323 WeakPolarHBondContact CG-OH 3Å; Q276-Y323 PolarHBondContact NE2-OH 2.78Å; R321-Y323 VanDerWaalsContact C-N 3.32Å; R321-Y323 HydrophobicContact CB-CD2 4.21Å; R321-Y323 HydrophobicContact CB-CE2 3.89Å; R321-Y323 WeakPolarHBondContact CD-OH 3.22Å; R321-Y323 HydrophobicContact CG-CE2 3.94Å; R321-Y323 PolarHBondContact NE-OH 2.98Å; R321-Y323 PolarHBondContact O-N 3.09Å; Y323-Q325 PolarHBondContact O-N 3.28Å
324T55.2Low64.6Low110 Ų110113 Ų11368%0.67558%0.577SS**  trans-57.3107.4166.8-38.30000106.5E273 H322E273-T324 PolarHBondContact OE1-OG1 3.1Å; H322-T324 PolarHBondContact O-N 3.37Å
325Q48.9Very low62.1Low169 Ų169124.1 Ų124.179%0.7963%0.631SS**  trans-57.3137.8171.8-69.4-169.931.300107.2Y323 E327Y323-Q325 PolarHBondContact O-N 3.28Å; Q325-E327 PolarHBondContact O-N 3.45Å
326P52Low60.6Low116 Ų116129.1 Ų129.175%0.75366%0.656SS**  trans-61.3109.9178.825-31.7000108.4N328P326-N328 PolarHBondContact O-N 3.07Å
327E43.3Very low58.9Low180 Ų180135.4 Ų135.484%0.84169%0.688SS**  trans-50.4105.9166.2-70.6-93.4154.100107.6Q325 K329Q325-E327 PolarHBondContact O-N 3.45Å; E327-K329 PolarHBondContact O-N 3.36Å
328N42.8Very low57Low144 Ų144139.1 Ų139.177%0.7771%0.71SS**  trans-58.6111.9168-83-36.7000107.3P326 T330P326-N328 PolarHBondContact O-N 3.07Å; N328-T330 PolarHBondContact O-N 2.68Å; N328-T330 PolarHBondContact O-OG1 2.8Å
329K40.2Very low55.4Low189 Ų189142.1 Ų142.182%0.82272%0.718SS**  trans-44.9100.9166.2-78.6177.6172.1-178.30109.5E327 E331E327-K329 PolarHBondContact O-N 3.36Å; K329-E331 PolarHBondContact O-N 3Å
330T42.1Very low53.6Low124 Ų124141.6 Ų141.676%0.76172%0.719SS**  trans-89.890.2164.4-550000105.8N328 S332N328-T330 PolarHBondContact O-N 2.68Å; N328-T330 PolarHBondContact O-OG1 2.8Å; T330-S332 PolarHBondContact O-N 3.08Å; T330-S332 VanDerWaalsContact O-N 3.11Å
331E48.1Very low51.5Low172 Ų172144.8 Ų144.880%0.80474%0.743SS**  trans-63.7104.6163.9-70.8179.1178.400107.5K329K329-E331 PolarHBondContact O-N 3Å
332S43.3Very low49.5Very low98 Ų98150.8 Ų150.869%0.68578%0.779SS**  trans-97.4101.2164.841.40000107.4T330T330-S332 PolarHBondContact O-N 3.08Å; T330-S332 VanDerWaalsContact O-N 3.11Å
333N50.6Low48.3Very low173 Ų173151.4 Ų151.493%0.92579%0.788SS**  trans-83.5114.1157.8-105.2-8.7000106.9
334T55.4Low47.1Very low132 Ų132155.5 Ų155.581%0.8182%0.82SS**  trans-83.6126.8170.4-50.10000108.5
335E43.4Very low46.4Very low259 Ų259159.6 Ų159.6100%1.2183%0.834SS**  trans-98.80151.1-164.7173-160.300108.3

Retrieved 335 of 335 residues in 378 ms (Link to these results)