A0A087XE02_POEFO Loading...

N-myc downstream regulated 1a

AlphaFold DB , UniProt , Accession A0A087XE02, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M39.7Very low39.1Very low236 Ų236137.5 Ų137.5100%1.16372%0.723SS**  01030-84.1174.1-80.200105.6L3M1-L3 PolarHBondContact O-N 3.47Å
2V35.4Very low39.6Very low136 Ų136136.7 Ų136.782%0.82473%0.727SS**  trans-70.7119.5172.3179.80000104.4E4V2-E4 PolarHBondContact O-N 3.42Å
3L36.3Very low40.7Very low148 Ų148132.9 Ų132.978%0.77573%0.727SS**  trans-66.5114.7168.5-66.9168.5000105M1M1-L3 PolarHBondContact O-N 3.47Å
4E38.7Very low42.6Very low142 Ų142136.8 Ų136.866%0.66474%0.738SS**  trans-65.7135.8177.2-70.6177.715900108.1V2 S6 D7V2-E4 PolarHBondContact O-N 3.42Å; E4-S6 PolarHBondContact O-N 3.22Å; E4-D7 PolarHBondContact O-N 3.41Å
5D42.7Very low45.3Very low139 Ų139132.9 Ų132.974%0.74372%0.715SS**G310 helixtrans-55-9.8179.5-77.4-42.7000113.6D7 V8D5-D7 VanDerWaalsContact C-N 3.33Å; D5-D7 PolarHBondContact O-N 3.45Å; D5-V8 PolarHBondContact O-N 3.22Å
6S40.1Very low48.2Very low56 Ų56133.6 Ų133.639%0.39271%0.713SS.*G310 helixtrans-70.4-20.7176.665.40000114.8E4E4-S6 PolarHBondContact O-N 3.22Å
7D37.6Very low51Low95 Ų95130.5 Ų130.551%0.50870%0.7SS.*G310 helixtrans-82.6-18.5179.1-72.9-21000112.5E4 D5E4-D7 PolarHBondContact O-N 3.41Å; D5-D7 VanDerWaalsContact C-N 3.33Å; D5-D7 PolarHBondContact O-N 3.45Å
8V41.6Very low53.5Low124 Ų124125.6 Ų125.675%0.75268%0.677SS**THydrogen-bonded Turntrans-87.3-27.8175.9-174.20000111.2D5 M10D5-V8 PolarHBondContact O-N 3.22Å; V8-M10 PolarHBondContact O-N 3.18Å
9E35.7Very low55.8Low170 Ų170125.4 Ų125.479%0.79467%0.671SS**THydrogen-bonded Turntrans-73-5.1173.1-76.6-175.1151.800113.7
10M38.4Very low57.9Low133 Ų133122 Ų12266%0.65565%0.651SS**THydrogen-bonded Turntrans-103.414.6-168-136.2-168.6-45.600116.5V8V8-M10 PolarHBondContact O-N 3.18Å
11I43.6Very low59.9Low134 Ų134120 Ų12069%0.68764%0.64SS**SBendtrans-138.134.1176.8-34.9178.2000113.8
12V46.1Very low62.6Low127 Ų127108.9 Ų108.977%0.7759%0.586SS**  trans-125.277.7154.6-165.80000106.6E14V12-E14 PolarHBondContact O-N 3.49Å
13A53.4Low65.6Low88 Ų88110.1 Ų110.173%0.72758%0.583SS**  trans-55.4116.1159.400000105.8I15A13-I15 PolarHBondContact O-N 2.86Å
14E67.3Low68.5Low187 Ų187104 Ų10487%0.87455%0.551SS**  trans-50.1117.8172.7-92.2-178.5149.100107.4V12 E16V12-E14 PolarHBondContact O-N 3.49Å; E14-E16 PolarHBondContact O-N 3.17Å
15I83.3Confident71.2Confident79 Ų79102.6 Ų102.641%0.40556%0.555SS.*  trans-64.9113.3176.4-65.6175.1000105.7A13 V17 K34 M71A13-I15 PolarHBondContact O-N 2.86Å; I15-V17 WeakPolarHBondContact O-CG2 3.41Å; I15-V17 PolarHBondContact O-N 3.48Å; I15-K34 HydrophobicContact CG2-CB 4.01Å; I15-M71 HydrophobicContact CD1-CB 3.85Å; I15-M71 HydrophobicContact CD1-CE 3.92Å; I15-M71 HydrophobicContact CD1-CG 4.37Å; I15-M71 HydrophobicContact CG2-CE 4.36Å
16E91.3Very high73.8Confident144 Ų14498 Ų9867%0.67353%0.528SS*.  trans-56.3128.8178-173.5179.2-179.300109.6E14 G35E14-E16 PolarHBondContact O-N 3.17Å; E16-G35 PolarHBondContact O-N 3.17Å
17V95.4Very high76.3Confident81 Ų8196.6 Ų96.649%0.49152%0.524SS..EExtended strand (participates in β ladder)trans-115.3129.3177.9-173.20000108.6I15 T32 M33 K34I15-V17 WeakPolarHBondContact O-CG2 3.41Å; I15-V17 PolarHBondContact O-N 3.48Å; V17-T32 HydrophobicContact CG1-CG2 3.53Å; V17-M33 CarbonylContact C-O 3.55Å; V17-M33 WeakPolarHBondContact CA-O 3.46Å; V17-K34 HydrophobicContact CG1-CG 4.28Å; V17-K34 HydrophobicContact CG2-CG 4.1Å
18S96.6Very high79.1Confident41 Ų4199.5 Ų99.529%0.28753%0.527SS..EExtended strand (participates in β ladder)trans-134.1140.1173.861.90000111.3H20 T32 M33S18-H20 PolarHBondContact OG-NE2 3.13Å; S18-T32 CarbonylContact O-C 3.59Å; S18-T32 WeakPolarHBondContact O-CA 3.25Å; S18-M33 PolarHBondContact N-O 3.14Å; S18-M33 PolarHBondContact O-N 3.19Å
19E97.7Very high81.8Confident122 Ų12293.6 Ų93.657%0.5749%0.491SS*.EExtended strand (participates in β ladder)trans-104.4139.4177.8-69.2179.2-174.400110.2H30 C31 T32E19-H30 IonicContact OE2-CE1 2.88Å; E19-H30 IonicContact OE2-NE2 2.68Å; E19-C31 CarbonylContact C-O 3.52Å; E19-C31 WeakPolarHBondContact CA-O 3.38Å; E19-T32 HydrophobicContact CG-CG2 4.23Å
20H98.1Very high84.8Confident57 Ų5786.2 Ų86.226%0.26446%0.457SS..EExtended strand (participates in β ladder)trans-138.9135-176.3-62-107.7000109.7S18 C31 H113 F114S18-H20 PolarHBondContact OG-NE2 3.13Å; H20-C31 PolarHBondContact N-O 3.42Å; H20-C31 PolarHBondContact O-N 3.49Å; H20-H113 AromaticContact CG-NE2 3.83Å; H20-H113 AromaticContact ND1-NE2 3.27Å; H20-H113 PolarHBondContact ND1-NE2 3.08Å; H20-F114 HydrophobicContact CB-CE1 4.24Å; H20-F114 HydrophobicContact CB-CZ 3.8Å; H20-F114 AromaticContact CD2-CE1 3.54Å; H20-F114 AromaticContact CD2-CZ 3.74Å; H20-F114 AromaticContact CE1-CE1 3.89Å; H20-F114 AromaticContact CG-CE1 3.61Å; H20-F114 AromaticContact CG-CZ 3.68Å; H20-F114 AromaticContact ND1-CE1 3.82Å; H20-F114 AromaticContact NE2-CE1 3.74Å
21D98.1Very high87.7Confident80 Ų8079.9 Ų79.943%0.42843%0.426SS..EExtended strand (participates in β ladder)trans-99103.6169-75.3-24.9000109.1R28 H30D21-R28 HydrophobicContact CB-CB 4.15Å; D21-R28 HydrophobicContact CB-CG 4.47Å; D21-H30 IonicContact OD1-CG 3.52Å; D21-H30 IonicContact OD1-ND1 2.73Å; D21-H30 PolarHBondContact OD1-ND1 2.77Å; D21-H30 VanDerWaalsContact OD1-ND1 3.11Å
22V98.2Very high90.3Very high3 Ų373.7 Ų73.72%0.01839%0.394CS..EExtended strand (participates in β ladder)trans-82.1123.6-179.4-177.30000109.5T24 R28 L29 C31 L109 V110 H113 F114V22-T24 PolarHBondContact O-N 3.39Å; V22-R28 WeakPolarHBondContact O-CA 3.42Å; V22-L29 PolarHBondContact N-O 3.08Å; V22-L29 PolarHBondContact O-N 3.04Å; V22-C31 HydrophobicContact CG2-CB 4.48Å; V22-L109 HydrophobicContact CG1-CB 4.45Å; V22-V110 HydrophobicContact CG1-CG2 4.43Å; V22-H113 HydrophobicContact CG1-CB 4.02Å; V22-H113 HydrophobicContact CG2-CB 4.09Å; V22-F114 HydrophobicContact CG2-CE2 4.36Å
23E97.7Very high92.7Very high162 Ų16268 Ų6876%0.75736%0.36SS*.EExtended strand (participates in β ladder)trans-71127.5176.8-66.9-172.5168.100111.5
24T96.8Very high94.8Very high19 Ų1965.1 Ų65.112%0.11733%0.33CS..EExtended strand (participates in β ladder)trans-130.6162.5175.481.50000110.2V22 H26 G27 L29 T106 L109V22-T24 PolarHBondContact O-N 3.39Å; T24-H26 PolarHBondContact O-N 3.17Å; T24-H26 PolarHBondContact OG1-N 3.47Å; T24-G27 WeakPolarHBondContact CA-O 3.24Å; T24-G27 WeakPolarHBondContact CB-O 3.48Å; T24-G27 PolarHBondContact N-O 2.97Å; T24-G27 PolarHBondContact O-N 3.46Å; T24-G27 VanDerWaalsContact O-N 3.11Å; T24-G27 PolarHBondContact OG1-N 3.44Å; T24-G27 PolarHBondContact OG1-O 3.11Å; T24-L29 HydrophobicContact CG2-CB 3.95Å; T24-T106 HydrophobicContact CG2-CG2 4.02Å; T24-L109 HydrophobicContact CG2-CD1 4.13Å
25P96.6Very high96Very high114 Ų11457.1 Ų57.174%0.7430%0.299SS*.THydrogen-bonded Turntrans-57.1-19.3173.2-2635.7000114.5
26H95.7Very high96.4Very high41 Ų4156.7 Ų56.719%0.1930%0.302CS..THydrogen-bonded Turntrans-102.2-1.4-177.1-55.1-66.4000113T24 L82 Y95 P98T24-H26 PolarHBondContact O-N 3.17Å; T24-H26 PolarHBondContact OG1-N 3.47Å; H26-L82 HydrophobicContact CB-CD1 3.76Å; H26-Y95 PolarHBondContact O-OH 2.94Å; H26-P98 HydrophobicContact CB-CB 4.24Å; H26-P98 HydrophobicContact CB-CG 3.97Å
27G94.4Very high96.4Very high28 Ų2852.8 Ų52.829%0.28929%0.29SS..EExtended strand (participates in β ladder)trans128.1-169.7-176.200000112.5T24T24-G27 WeakPolarHBondContact CA-O 3.24Å; T24-G27 WeakPolarHBondContact CB-O 3.48Å; T24-G27 PolarHBondContact N-O 2.97Å; T24-G27 PolarHBondContact O-N 3.46Å; T24-G27 VanDerWaalsContact O-N 3.11Å; T24-G27 PolarHBondContact OG1-N 3.44Å; T24-G27 PolarHBondContact OG1-O 3.11Å
28R96.1Very high96Very high155 Ų15553.8 Ų53.859%0.58529%0.287SS*.EExtended strand (participates in β ladder)trans-88.4119.5179.7-68.2-173.8-59.3-141.11.3110.5D21 V22 L82D21-R28 HydrophobicContact CB-CB 4.15Å; D21-R28 HydrophobicContact CB-CG 4.47Å; V22-R28 WeakPolarHBondContact O-CA 3.42Å; R28-L82 VanDerWaalsContact O-CD2 3.3Å; R28-L82 WeakPolarHBondContact O-CD2 3.37Å
29L97.4Very high95.5Very high0 Ų055.4 Ų55.40%031%0.311CS..EExtended strand (participates in β ladder)trans-92.7115.5176.7-168.173.2000109V22 T24 V79 D80 L82 V110V22-L29 PolarHBondContact N-O 3.08Å; V22-L29 PolarHBondContact O-N 3.04Å; T24-L29 HydrophobicContact CG2-CB 3.95Å; L29-V79 HydrophobicContact CD1-CG1 4.13Å; L29-V79 HydrophobicContact CD2-CG1 3.64Å; L29-V79 HydrophobicContact CG-CG1 3.89Å; L29-D80 WeakPolarHBondContact CD1-O 3.47Å; L29-L82 HydrophobicContact CB-CD2 4.19Å; L29-L82 HydrophobicContact CD1-CD2 3.89Å; L29-L82 HydrophobicContact CD1-CG 3.92Å; L29-V110 HydrophobicContact CD2-CG2 3.6Å
30H98.6Very high94.9Very high16 Ų1655.3 Ų55.37%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-77.7129.6-177.5-174.380.3000110.1E19 D21 D80 H85E19-H30 IonicContact OE2-CE1 2.88Å; E19-H30 IonicContact OE2-NE2 2.68Å; D21-H30 IonicContact OD1-CG 3.52Å; D21-H30 IonicContact OD1-ND1 2.73Å; D21-H30 PolarHBondContact OD1-ND1 2.77Å; D21-H30 VanDerWaalsContact OD1-ND1 3.11Å; H30-D80 HydrophobicContact CB-CB 4.35Å; H30-D80 IonicContact CD2-OD2 3.54Å; H30-D80 PolarHBondContact CD2-OD2 2.83Å; H30-D80 PolarHBondContact O-N 3.41Å; H30-H85 HydrophobicContact CB-CB 3.85Å; H30-H85 AromaticContact CG-CG 3.93Å
31C98.6Very high94.6Very high0 Ų057.2 Ų57.20%032%0.319CS..EExtended strand (participates in β ladder)trans-130.5136.5-179.3-60.20000110.5E19 H20 V22 H78 F114E19-C31 CarbonylContact C-O 3.52Å; E19-C31 WeakPolarHBondContact CA-O 3.38Å; H20-C31 PolarHBondContact N-O 3.42Å; H20-C31 PolarHBondContact O-N 3.49Å; V22-C31 HydrophobicContact CG2-CB 4.48Å; C31-H78 CarbonylContact C-O 3.58Å; C31-H78 WeakPolarHBondContact CA-O 3.41Å; C31-F114 HydrophobicContact CB-CE2 3.93Å; C31-F114 HydrophobicContact CB-CZ 4.03Å
32T98.6Very high94.6Very high3 Ų353.5 Ų53.52%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-114.4113.1174.2-49.80000109.4V17 S18 E19 H54 H78V17-T32 HydrophobicContact CG1-CG2 3.53Å; S18-T32 CarbonylContact O-C 3.59Å; S18-T32 WeakPolarHBondContact O-CA 3.25Å; E19-T32 HydrophobicContact CG-CG2 4.23Å; T32-H54 PolarHBondContact OG1-CE1 3.4Å; T32-H54 VanDerWaalsContact OG1-CE1 3.23Å; T32-H78 PolarHBondContact N-O 3.44Å; T32-H78 PolarHBondContact O-N 3.15Å
33M97.9Very high94.6Very high9 Ų953.4 Ų53.44%0.04430%0.298CS..EExtended strand (participates in β ladder)trans-91.1120.4175.8-173.166.566.200109.6V17 S18 G35 V43 A75 V76 C77 F114V17-M33 CarbonylContact C-O 3.55Å; V17-M33 WeakPolarHBondContact CA-O 3.46Å; S18-M33 PolarHBondContact N-O 3.14Å; S18-M33 PolarHBondContact O-N 3.19Å; M33-G35 WeakPolarHBondContact CG-O 3.36Å; M33-V43 HydrophobicContact SD-CG1 4.41Å; M33-A75 HydrophobicContact SD-CB 4.24Å; M33-V76 CarbonylContact C-O 3.57Å; M33-V76 WeakPolarHBondContact CA-O 3.45Å; M33-C77 HydrophobicContact CE-CB 3.68Å; M33-C77 HydrophobicContact SD-CB 4.08Å; M33-F114 HydrophobicContact CB-CE1 4.3Å; M33-F114 HydrophobicContact CE-CB 4.18Å; M33-F114 HydrophobicContact CE-CD1 3.54Å; M33-F114 HydrophobicContact CE-CD2 3.87Å; M33-F114 HydrophobicContact CE-CE1 3.75Å; M33-F114 HydrophobicContact CE-CE2 4.09Å; M33-F114 HydrophobicContact CE-CG 3.6Å; M33-F114 HydrophobicContact CE-CZ 4.02Å
34K96.7Very high94.6Very high26 Ų2645.7 Ų45.711%0.11326%0.262CS..EExtended strand (participates in β ladder)trans-106.9118.3171.3-63.4-173.1178.9170.50109.3I15 V17 D59 M71 A75 V76I15-K34 HydrophobicContact CG2-CB 4.01Å; V17-K34 HydrophobicContact CG1-CG 4.28Å; V17-K34 HydrophobicContact CG2-CG 4.1Å; K34-D59 IonicContact NZ-OD1 3.66Å; K34-D59 PolarHBondContact NZ-OD1 3.37Å; K34-M71 HydrophobicContact CB-CE 4.15Å; K34-A75 WeakPolarHBondContact O-CA 3.24Å; K34-V76 HydrophobicContact CB-CB 4.43Å; K34-V76 PolarHBondContact N-O 3.19Å; K34-V76 PolarHBondContact O-N 3.29Å
35G93.3Very high94.7Very high20 Ų2044.8 Ų44.821%0.20626%0.257CS..SBendtrans79.3176.4-175.600000113.1E16 M33E16-G35 PolarHBondContact O-N 3.17Å; M33-G35 WeakPolarHBondContact CG-O 3.36Å
36S91.3Very high94.8Very high69 Ų6939.4 Ų39.448%0.48322%0.222SC..  trans-107.9134.7-178.8520000111.9K38S36-K38 WeakPolarHBondContact O-CG 3.25Å; S36-K38 PolarHBondContact O-N 2.66Å
37P90.8Very high95Very high63 Ų6337.5 Ų37.541%0.40921%0.213SC..  trans-55.7133.4174-25.834.4000111.7V43 A75 L116P37-V43 HydrophobicContact CB-CG2 4.07Å; P37-V43 HydrophobicContact CG-CG2 3.95Å; P37-A75 HydrophobicContact CG-CB 4.39Å; P37-L116 HydrophobicContact CB-CD2 4.18Å; P37-L116 HydrophobicContact CG-CD2 3.9Å
38K86.7Confident95.2Very high102 Ų10236.1 Ų36.144%0.44320%0.199SC..  trans-110.997.9-172.4-62.4-171.9-177.4-177.70111.7S36 D40 R41 Q72S36-K38 WeakPolarHBondContact O-CG 3.25Å; S36-K38 PolarHBondContact O-N 2.66Å; K38-D40 PolarHBondContact O-N 2.83Å; K38-R41 WeakPolarHBondContact O-CB 3.39Å; K38-R41 WeakPolarHBondContact O-CG 3.43Å; K38-R41 PolarHBondContact O-N 2.8Å; K38-R41 VanDerWaalsContact O-N 3.15Å; K38-Q72 PolarHBondContact NZ-O 3.05Å
39G85.8Confident95.3Very high75 Ų7528.9 Ų28.977%0.77317%0.172SC*.THydrogen-bonded Turntrans60.3-131.5178.400000111.5R41G39-R41 VanDerWaalsContact C-N 3.31Å
40D85.8Confident95.4Very high120 Ų12028.9 Ų28.964%0.64217%0.172SC*.THydrogen-bonded Turntrans-88.49.7177.8-71.5-32.7000113.6K38 K117K38-D40 PolarHBondContact O-N 2.83Å; D40-K117 IonicContact OD1-NZ 3.27Å; D40-K117 PolarHBondContact OD1-NZ 2.82Å; D40-K117 IonicContact OD2-NZ 3.88Å
41R92.5Very high95.3Very high97 Ų9728.1 Ų28.137%0.36617%0.168SC..PPolyproline II helixtrans-68.2138.1177.1-69-176.9179.7-123.6-0.9110.4K38 G39K38-R41 WeakPolarHBondContact O-CB 3.39Å; K38-R41 WeakPolarHBondContact O-CG 3.43Å; K38-R41 PolarHBondContact O-N 2.8Å; K38-R41 VanDerWaalsContact O-N 3.15Å; G39-R41 VanDerWaalsContact C-N 3.31Å
42P96.9Very high95.3Very high2 Ų228.1 Ų28.11%0.01317%0.168CC..PPolyproline II helixtrans-64.9151.2174.927.7-34.6000110.3F74 S118 I120 Y299P42-F74 HydrophobicContact CG-CE1 4.24Å; P42-F74 WeakPolarHBondContact O-CD1 3.32Å; P42-S118 WeakPolarHBondContact CA-O 3.39Å; P42-I120 HydrophobicContact CB-CG1 4.13Å; P42-I120 HydrophobicContact CG-CD1 3.75Å; P42-I120 HydrophobicContact CG-CG1 3.83Å; P42-Y299 VanDerWaalsContact CD-CZ 3.48Å; P42-Y299 VanDerWaalsContact CD-OH 3.26Å; P42-Y299 WeakPolarHBondContact CD-OH 3.5Å; P42-Y299 HydrophobicContact CG-CE1 4.35Å; P42-Y299 HydrophobicContact CG-CE2 3.89Å
43V98.2Very high95.3Very high1 Ų128.1 Ų28.11%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-86.7144.3169.5168.50000108.9M33 P37 L45 A75 C77 L116 S118 V119 I120M33-V43 HydrophobicContact SD-CG1 4.41Å; P37-V43 HydrophobicContact CB-CG2 4.07Å; P37-V43 HydrophobicContact CG-CG2 3.95Å; V43-L45 PolarHBondContact O-N 3.15Å; V43-A75 HydrophobicContact CG2-CB 4.3Å; V43-C77 HydrophobicContact CG1-CB 3.73Å; V43-L116 HydrophobicContact CB-CD1 3.94Å; V43-L116 HydrophobicContact CB-CD2 4.41Å; V43-L116 HydrophobicContact CG1-CD1 4.24Å; V43-L116 HydrophobicContact CG2-CD1 3.93Å; V43-L116 HydrophobicContact CG2-CD2 3.52Å; V43-L116 HydrophobicContact CG2-CG 4.33Å; V43-S118 PolarHBondContact N-O 3.21Å; V43-V119 CarbonylContact O-C 3.58Å; V43-V119 WeakPolarHBondContact O-CA 3.34Å; V43-V119 VanDerWaalsContact O-CB 3.32Å; V43-V119 WeakPolarHBondContact O-CB 3.47Å; V43-I120 PolarHBondContact O-N 2.82Å
44I98.8Very high95.3Very high0 Ų028 Ų280%017%0.168CC..EExtended strand (participates in β ladder)trans-76.9112.9169.4-61.5166.4000107.5T46 F62 I70 F74 A75 V76 C77 I120 M122 F290I44-T46 HydrophobicContact CG2-CG2 4.25Å; I44-F62 HydrophobicContact CG2-CE1 4.4Å; I44-F62 HydrophobicContact CG2-CZ 3.98Å; I44-I70 HydrophobicContact CD1-CG2 3.99Å; I44-F74 HydrophobicContact CD1-CB 3.6Å; I44-F74 HydrophobicContact CD1-CD1 4.48Å; I44-F74 HydrophobicContact CD1-CD2 4.47Å; I44-F74 HydrophobicContact CD1-CG 3.96Å; I44-F74 HydrophobicContact CG1-CB 4.02Å; I44-F74 HydrophobicContact CG1-CD1 4.29Å; I44-F74 HydrophobicContact CG1-CG 4.25Å; I44-A75 PolarHBondContact N-O 3.23Å; I44-V76 HydrophobicContact CB-CG1 4.4Å; I44-V76 HydrophobicContact CB-CG2 4.14Å; I44-V76 HydrophobicContact CD1-CG2 4.29Å; I44-V76 HydrophobicContact CG2-CG1 4.37Å; I44-V76 CarbonylContact O-C 3.52Å; I44-V76 VanDerWaalsContact O-CA 3.3Å; I44-V76 WeakPolarHBondContact O-CA 3.35Å; I44-C77 PolarHBondContact O-N 3.17Å; I44-I120 CarbonylContact C-O 3.49Å; I44-I120 WeakPolarHBondContact CA-O 3.47Å; I44-M122 HydrophobicContact CG2-CG 3.93Å; I44-M122 HydrophobicContact CG2-SD 3.59Å; I44-M122 VanDerWaalsContact CG2-SD 3.59Å; I44-F290 HydrophobicContact CD1-CE1 3.72Å; I44-F290 HydrophobicContact CD1-CZ 3.93Å; I44-F290 HydrophobicContact CG1-CE1 4.43Å; I44-F290 HydrophobicContact CG1-CZ 4.14Å; I44-F290 HydrophobicContact CG2-CZ 4.46Å
45L98.9Very high95.3Very high0 Ų030.4 Ų30.40%018%0.178CC..EExtended strand (participates in β ladder)trans-100.7120.8179.3-174.574.6000109V43 C77 V79 L107 V110 L111 V119 I120 G121 M122 L131V43-L45 PolarHBondContact O-N 3.15Å; L45-C77 WeakPolarHBondContact CA-O 3.42Å; L45-C77 HydrophobicContact CD1-CB 3.84Å; L45-V79 HydrophobicContact CD1-CG2 3.56Å; L45-V79 HydrophobicContact CG-CG2 4.3Å; L45-L107 HydrophobicContact CD2-CD1 4.25Å; L45-L107 HydrophobicContact CD2-CD2 4.44Å; L45-V110 HydrophobicContact CD1-CG1 4.37Å; L45-L111 HydrophobicContact CD2-CD1 4.24Å; L45-V119 HydrophobicContact CB-CB 3.83Å; L45-V119 HydrophobicContact CB-CG1 3.92Å; L45-V119 HydrophobicContact CB-CG2 4.07Å; L45-V119 HydrophobicContact CD2-CG1 4.42Å; L45-V119 HydrophobicContact CD2-CG2 4.09Å; L45-I120 PolarHBondContact N-O 3.2Å; L45-G121 CarbonylContact O-C 3.53Å; L45-G121 WeakPolarHBondContact O-CA 3.38Å; L45-M122 PolarHBondContact O-N 2.86Å; L45-L131 HydrophobicContact CD2-CD2 4.02Å
46T98.9Very high95.5Very high0 Ų030.4 Ų30.40%018%0.176CC..EExtended strand (participates in β ladder)trans-107.8141.1-179.378.40000112.1I44 W58 F62 V76 C77 H78 V79 M122I44-T46 HydrophobicContact CG2-CG2 4.25Å; T46-W58 HydrophobicContact CG2-CD2 4.32Å; T46-W58 HydrophobicContact CG2-CG 4.44Å; T46-W58 PolarHBondContact OG1-NE1 2.85Å; T46-F62 HydrophobicContact CG2-CE2 3.79Å; T46-F62 HydrophobicContact CG2-CZ 3.85Å; T46-V76 HydrophobicContact CG2-CG1 3.9Å; T46-C77 PolarHBondContact N-O 3.43Å; T46-H78 WeakPolarHBondContact OG1-CA 3.29Å; T46-H78 PolarHBondContact OG1-ND1 3.29Å; T46-V79 WeakPolarHBondContact O-CB 3.5Å; T46-V79 PolarHBondContact O-N 3.44Å; T46-M122 CarbonylContact C-O 3.52Å; T46-M122 WeakPolarHBondContact CA-O 3.37Å; T46-M122 HydrophobicContact CG2-CB 4.31Å
47F98.9Very high95.8Very high1 Ų127.1 Ų27.10%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-132.2126.4172.3-151.3-68.8000109.9V79 A81 L107 M122 G123 I124 V130 L131 F212F47-V79 HydrophobicContact CD2-CB 4.12Å; F47-V79 HydrophobicContact CD2-CG1 3.93Å; F47-V79 HydrophobicContact CE2-CB 4.47Å; F47-V79 HydrophobicContact CE2-CG1 3.78Å; F47-A81 HydrophobicContact CE1-CB 3.93Å; F47-A81 HydrophobicContact CZ-CB 3.98Å; F47-L107 HydrophobicContact CD2-CD2 4.16Å; F47-L107 HydrophobicContact CE2-CD2 4.14Å; F47-M122 PolarHBondContact N-O 2.87Å; F47-G123 WeakPolarHBondContact O-CA 3.39Å; F47-I124 PolarHBondContact O-N 3.09Å; F47-V130 HydrophobicContact CD2-CG1 4.08Å; F47-V130 HydrophobicContact CE1-CB 4.49Å; F47-V130 HydrophobicContact CE1-CG2 4.11Å; F47-V130 HydrophobicContact CE2-CG1 3.89Å; F47-V130 HydrophobicContact CZ-CB 4.5Å; F47-V130 HydrophobicContact CZ-CG1 4.19Å; F47-V130 HydrophobicContact CZ-CG2 4.19Å; F47-L131 HydrophobicContact CB-CD1 4.08Å; F47-L131 HydrophobicContact CB-CG 4.04Å; F47-F212 HydrophobicContact CE1-CZ 4.34Å
48H98.9Very high96.2Very high0 Ų024.1 Ų24.10%013%0.134CC..PPolyproline II helixtrans-83.7171.3-17365.779.9000113.3L52 C57 V79 D80 A81 G127 F212H48-L52 HydrophobicContact CB-CB 4.36Å; H48-L52 PolarHBondContact CE1-O 3.02Å; H48-L52 PolarHBondContact ND1-O 2.7Å; H48-C57 HydrophobicContact CB-CB 3.58Å; H48-V79 PolarHBondContact CD2-O 3.05Å; H48-D80 IonicContact CD2-OD1 3.62Å; H48-D80 IonicContact NE2-OD1 3.18Å; H48-A81 PolarHBondContact NE2-N 3.24Å; H48-G127 WeakPolarHBondContact O-CA 3.47Å; H48-G127 PolarHBondContact O-N 3.01Å; H48-G127 VanDerWaalsContact O-N 3.13Å; H48-F212 AromaticContact CE1-CE1 3.86Å
49D98.6Very high96.7Very high2 Ų221.1 Ų21.11%0.01112%0.122CC..PPolyproline II helixtrans-88.4172.3174.8-153.1-4.9000112.4L52 I124 G125 A126 H179 L180D49-L52 HydrophobicContact CB-CD1 3.99Å; D49-L52 PolarHBondContact O-N 2.91Å; D49-I124 WeakPolarHBondContact CA-O 3.25Å; D49-I124 HydrophobicContact CB-CB 4.21Å; D49-I124 HydrophobicContact CB-CG2 4.16Å; D49-I124 WeakPolarHBondContact CB-O 3.26Å; D49-G125 WeakPolarHBondContact OD2-CA 3.36Å; D49-A126 WeakPolarHBondContact OD1-CB 3.28Å; D49-A126 PolarHBondContact OD1-N 3.33Å; D49-H179 VanDerWaalsContact CG-NE2 3.33Å; D49-H179 IonicContact OD1-NE2 3.75Å; D49-H179 PolarHBondContact OD1-NE2 3.32Å; D49-H179 IonicContact OD2-CD2 2.94Å; D49-H179 IonicContact OD2-CE1 2.81Å; D49-H179 IonicContact OD2-NE2 2.75Å; D49-H179 PolarHBondContact OD2-NE2 3.3Å; D49-L180 HydrophobicContact CB-CD2 4.18Å
50I97.9Very high97.2Very high0 Ų020 Ų200%010%0.101CC..THydrogen-bonded Turntrans-60.4146.3172.960.8164.1000111.4L52 A126 W157 I176 F212 V213 Y216I50-L52 PolarHBondContact O-N 3.36Å; I50-A126 HydrophobicContact CG2-CB 3.96Å; I50-W157 HydrophobicContact CD1-CH2 3.43Å; I50-W157 VanDerWaalsContact CD1-CH2 3.43Å; I50-W157 HydrophobicContact CD1-CZ3 3.59Å; I50-I176 HydrophobicContact CD1-CG1 4.4Å; I50-F212 HydrophobicContact CB-CE1 4.47Å; I50-F212 HydrophobicContact CG2-CD1 4.05Å; I50-F212 HydrophobicContact CG2-CE1 3.9Å; I50-F212 HydrophobicContact CG2-CG 4.47Å; I50-F212 HydrophobicContact CG2-CZ 4.19Å; I50-V213 HydrophobicContact CB-CG2 4.32Å; I50-V213 HydrophobicContact CD1-CG2 4.32Å; I50-Y216 HydrophobicContact CD1-CD1 4.25Å; I50-Y216 HydrophobicContact CG2-CD1 4.08Å; I50-Y216 HydrophobicContact CG2-CG 4.16Å
51G97.5Very high97.8Very high0 Ų014.3 Ų14.30%07%0.071CC..THydrogen-bonded Turntrans72.410.7-178.300000114.6I200G51-I200 VanDerWaalsContact O-CG1 3.27Å; G51-I200 WeakPolarHBondContact O-CG1 3.2Å
52L98.3Very high98.1Very high0 Ų010.2 Ų10.20%06%0.056CC..  trans-129.2170.3176.5-54.3176000110.3H48 D49 I50 A56 C57 L180 F196 M204 M277H48-L52 HydrophobicContact CB-CB 4.36Å; H48-L52 PolarHBondContact CE1-O 3.02Å; H48-L52 PolarHBondContact ND1-O 2.7Å; D49-L52 HydrophobicContact CB-CD1 3.99Å; D49-L52 PolarHBondContact O-N 2.91Å; I50-L52 PolarHBondContact O-N 3.36Å; L52-A56 HydrophobicContact CD2-CB 4.17Å; L52-C57 HydrophobicContact CB-CB 4.14Å; L52-C57 HydrophobicContact CD1-CB 3.99Å; L52-L180 HydrophobicContact CD1-CD2 4.21Å; L52-L180 HydrophobicContact CD2-CD1 4.14Å; L52-L180 HydrophobicContact CG-CD1 4.32Å; L52-F196 HydrophobicContact CD2-CD1 3.65Å; L52-F196 HydrophobicContact CD2-CE1 3.42Å; L52-F196 VanDerWaalsContact CD2-CE1 3.42Å; L52-M204 VanDerWaalsContact O-CE 3.25Å; L52-M204 WeakPolarHBondContact O-CE 3.41Å; L52-M277 HydrophobicContact CD1-CE 3.43Å; L52-M277 VanDerWaalsContact CD1-CE 3.43Å; L52-M277 HydrophobicContact CD1-SD 4.46Å; L52-M277 HydrophobicContact CD2-CE 4.34Å
53N98.1Very high98Very high4 Ų415.6 Ų15.62%0.0219%0.085CC..  trans-130.6-177.5158.764.221.8000108.8K55 A56 C57 Q84N53-K55 VanDerWaalsContact C-N 3.26Å; N53-K55 PolarHBondContact O-N 3.03Å; N53-K55 PolarHBondContact OD1-N 2.99Å; N53-A56 PolarHBondContact O-N 3.47Å; N53-A56 PolarHBondContact OD1-N 3.27Å; N53-A56 VanDerWaalsContact OD1-N 3.08Å; N53-C57 WeakPolarHBondContact O-CB 3.5Å; N53-C57 PolarHBondContact O-N 3.26Å; N53-Q84 VanDerWaalsContact CB-O 3.29Å; N53-Q84 WeakPolarHBondContact CB-O 3.29Å
54H98.3Very high97.9Very high7 Ų717.8 Ų17.83%0.03210%0.095CC..Hα-helixtrans-61.1-35.4-175.578.2-90.1000113.1T32 C57 W58 H78 D80T32-H54 PolarHBondContact OG1-CE1 3.4Å; T32-H54 VanDerWaalsContact OG1-CE1 3.23Å; H54-C57 PolarHBondContact O-N 2.95Å; H54-W58 WeakPolarHBondContact O-CA 3.46Å; H54-W58 VanDerWaalsContact O-CB 3.26Å; H54-W58 WeakPolarHBondContact O-CB 3.4Å; H54-W58 PolarHBondContact O-N 3.26Å; H54-H78 HydrophobicContact CB-CB 3.63Å; H54-H78 AromaticContact CD2-CD2 3.87Å; H54-H78 AromaticContact CD2-CG 3.85Å; H54-D80 WeakPolarHBondContact CB-OD1 3.34Å; H54-D80 IonicContact CE1-OD2 3.85Å; H54-D80 IonicContact CG-OD1 2.8Å; H54-D80 IonicContact CG-OD2 3.43Å; H54-D80 PolarHBondContact N-OD1 3.14Å; H54-D80 VanDerWaalsContact ND1-CG 3.29Å; H54-D80 IonicContact ND1-OD1 3.79Å; H54-D80 PolarHBondContact ND1-OD1 3.45Å; H54-D80 VanDerWaalsContact ND1-OD1 3.11Å; H54-D80 IonicContact ND1-OD2 3.3Å; H54-D80 PolarHBondContact ND1-OD2 2.76Å
55K97.4Very high97.7Very high76 Ų7625 Ų2533%0.3313%0.128SC..Hα-helixtrans-64.2-56.9178.9-63.5-174.5-177.2173.80110.5N53 C57 D59 E86N53-K55 VanDerWaalsContact C-N 3.26Å; N53-K55 PolarHBondContact O-N 3.03Å; N53-K55 PolarHBondContact OD1-N 2.99Å; K55-C57 PolarHBondContact O-N 2.7Å; K55-D59 WeakPolarHBondContact CA-OD2 3.33Å; K55-D59 WeakPolarHBondContact CB-OD2 3.38Å; K55-D59 VanDerWaalsContact O-CB 3.25Å; K55-D59 WeakPolarHBondContact O-CB 3.43Å; K55-D59 PolarHBondContact O-N 3.29Å; K55-D59 VanDerWaalsContact O-N 3.09Å; K55-E86 IonicContact NZ-OE2 3.11Å; K55-E86 PolarHBondContact NZ-OE2 3.45Å
56A97.4Very high97.4Very high20 Ų2027.5 Ų27.517%0.16514%0.142CC..Hα-helixtrans-63.7-30.2179.900000113L52 N53 H199L52-A56 HydrophobicContact CD2-CB 4.17Å; N53-A56 PolarHBondContact O-N 3.47Å; N53-A56 PolarHBondContact OD1-N 3.27Å; N53-A56 VanDerWaalsContact OD1-N 3.08Å; A56-H199 WeakPolarHBondContact CB-NE2 3.43Å
57C98.3Very high97.2Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-83-40.6-177.6-168.90000113.4H48 L52 N53 H54 K55 I124 Q279H48-C57 HydrophobicContact CB-CB 3.58Å; L52-C57 HydrophobicContact CB-CB 4.14Å; L52-C57 HydrophobicContact CD1-CB 3.99Å; N53-C57 WeakPolarHBondContact O-CB 3.5Å; N53-C57 PolarHBondContact O-N 3.26Å; H54-C57 PolarHBondContact O-N 2.95Å; K55-C57 PolarHBondContact O-N 2.7Å; C57-I124 VanDerWaalsContact SG-CD1 3.51Å; C57-Q279 WeakPolarHBondContact O-CG 3.44Å; C57-Q279 PolarHBondContact O-NE2 2.75Å
58W98.4Very high96.9Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-123.6-23.3-161.9-62.6115000114.8T46 H54 P60 L61 F62 M122 I124 I148T46-W58 HydrophobicContact CG2-CD2 4.32Å; T46-W58 HydrophobicContact CG2-CG 4.44Å; T46-W58 PolarHBondContact OG1-NE1 2.85Å; H54-W58 WeakPolarHBondContact O-CA 3.46Å; H54-W58 VanDerWaalsContact O-CB 3.26Å; H54-W58 WeakPolarHBondContact O-CB 3.4Å; H54-W58 PolarHBondContact O-N 3.26Å; W58-P60 VanDerWaalsContact C-CD 3.43Å; W58-P60 VanDerWaalsContact C-N 3.32Å; W58-L61 HydrophobicContact CE3-CD2 4.08Å; W58-L61 HydrophobicContact CZ3-CD2 4.11Å; W58-L61 PolarHBondContact O-N 3.44Å; W58-F62 HydrophobicContact CB-CD2 3.85Å; W58-F62 HydrophobicContact CB-CE2 4.16Å; W58-F62 HydrophobicContact CD2-CE2 4.33Å; W58-F62 HydrophobicContact CE3-CD2 4.48Å; W58-F62 AromaticContact CE3-CE2 3.95Å; W58-F62 HydrophobicContact CE3-CE2 3.95Å; W58-F62 HydrophobicContact CG-CE2 4.46Å; W58-F62 WeakPolarHBondContact O-CD2 3.34Å; W58-F62 PolarHBondContact O-N 3.29Å; W58-M122 HydrophobicContact CH2-CB 3.75Å; W58-M122 HydrophobicContact CH2-CE 4.43Å; W58-M122 HydrophobicContact CZ2-CB 4.24Å; W58-M122 VanDerWaalsContact CZ2-O 3.25Å; W58-M122 WeakPolarHBondContact CZ2-O 3.26Å; W58-M122 HydrophobicContact CZ3-CB 4.2Å; W58-M122 HydrophobicContact CZ3-CE 3.84Å; W58-I124 HydrophobicContact CH2-CD1 3.72Å; W58-I124 HydrophobicContact CH2-CG1 3.38Å; W58-I124 HydrophobicContact CZ2-CD1 4.01Å; W58-I124 HydrophobicContact CZ2-CG1 3.48Å; W58-I124 VanDerWaalsContact CZ2-CG1 3.48Å; W58-I124 HydrophobicContact CZ3-CD1 3.98Å; W58-I124 HydrophobicContact CZ3-CG1 4.16Å; W58-I148 HydrophobicContact CH2-CD1 4.19Å; W58-I148 HydrophobicContact CZ3-CD1 4.17Å
59D97.1Very high96.5Very high38 Ų3832.5 Ų32.520%0.20317%0.174CC..Hα-helixtrans-57-38.9178.1-76.4-20.8000113.2K34 K55 L61 F62 N63K34-D59 IonicContact NZ-OD1 3.66Å; K34-D59 PolarHBondContact NZ-OD1 3.37Å; K55-D59 WeakPolarHBondContact CA-OD2 3.33Å; K55-D59 WeakPolarHBondContact CB-OD2 3.38Å; K55-D59 VanDerWaalsContact O-CB 3.25Å; K55-D59 WeakPolarHBondContact O-CB 3.43Å; K55-D59 PolarHBondContact O-N 3.29Å; K55-D59 VanDerWaalsContact O-N 3.09Å; D59-L61 PolarHBondContact O-N 3.11Å; D59-F62 PolarHBondContact O-N 3.48Å; D59-N63 WeakPolarHBondContact O-CB 3.36Å; D59-N63 VanDerWaalsContact O-CG 3.32Å; D59-N63 PolarHBondContact O-N 2.97Å; D59-N63 PolarHBondContact O-ND2 3.16Å
60P97.2Very high96.3Very high51 Ų5132.5 Ų32.533%0.33117%0.174SC..Hα-helixtrans-56.4-32.9175.4-2938.5000113.9W58 V280W58-P60 VanDerWaalsContact C-CD 3.43Å; W58-P60 VanDerWaalsContact C-N 3.32Å; P60-V280 HydrophobicContact CB-CG2 4.22Å; P60-V280 HydrophobicContact CG-CG2 4.12Å
61L98.3Very high96.1Very high1 Ų133.4 Ų33.41%0.00518%0.178CC..Hα-helixtrans-85.3-48.9178.8-177.366.8000111.9W58 D59 N63 H64 M67 M122 Q279 P283 L286 T287W58-L61 HydrophobicContact CE3-CD2 4.08Å; W58-L61 HydrophobicContact CZ3-CD2 4.11Å; W58-L61 PolarHBondContact O-N 3.44Å; D59-L61 PolarHBondContact O-N 3.11Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.32Å; L61-H64 VanDerWaalsContact O-CB 3.29Å; L61-H64 WeakPolarHBondContact O-CB 3.4Å; L61-H64 PolarHBondContact O-N 3.44Å; L61-M67 HydrophobicContact CD1-CE 3.84Å; L61-M67 HydrophobicContact CD2-CE 3.83Å; L61-M67 HydrophobicContact CG-CE 3.53Å; L61-M67 WeakPolarHBondContact O-CB 3.46Å; L61-M122 HydrophobicContact CD2-CE 3.65Å; L61-Q279 HydrophobicContact CB-CB 4.08Å; L61-Q279 HydrophobicContact CD2-CB 4.19Å; L61-P283 HydrophobicContact CD1-CB 4.06Å; L61-L286 HydrophobicContact CD1-CB 4.26Å; L61-L286 HydrophobicContact CD1-CD2 4.06Å; L61-L286 HydrophobicContact CD1-CG 4.28Å; L61-L286 HydrophobicContact CD2-CD2 4.05Å; L61-T287 WeakPolarHBondContact CD1-OG1 3.5Å
62F97.3Very high95.7Very high11 Ų1138.6 Ų38.65%0.04820%0.203CC..Hα-helixtrans-76.7-18.1-173.4-77.4-86000114.1I44 T46 W58 D59 M67 M71 V76 H78 M122I44-F62 HydrophobicContact CG2-CE1 4.4Å; I44-F62 HydrophobicContact CG2-CZ 3.98Å; T46-F62 HydrophobicContact CG2-CE2 3.79Å; T46-F62 HydrophobicContact CG2-CZ 3.85Å; W58-F62 HydrophobicContact CB-CD2 3.85Å; W58-F62 HydrophobicContact CB-CE2 4.16Å; W58-F62 HydrophobicContact CD2-CE2 4.33Å; W58-F62 HydrophobicContact CE3-CD2 4.48Å; W58-F62 AromaticContact CE3-CE2 3.95Å; W58-F62 HydrophobicContact CE3-CE2 3.95Å; W58-F62 HydrophobicContact CG-CE2 4.46Å; W58-F62 WeakPolarHBondContact O-CD2 3.34Å; W58-F62 PolarHBondContact O-N 3.29Å; D59-F62 PolarHBondContact O-N 3.48Å; F62-M67 HydrophobicContact CD1-CG 3.99Å; F62-M67 HydrophobicContact CD1-SD 4.5Å; F62-M67 HydrophobicContact CE1-SD 4.46Å; F62-M71 HydrophobicContact CD1-SD 3.66Å; F62-M71 HydrophobicContact CE1-SD 4.1Å; F62-V76 HydrophobicContact CD1-CG1 4.37Å; F62-V76 HydrophobicContact CD1-CG2 3.88Å; F62-V76 HydrophobicContact CE1-CB 4.33Å; F62-V76 HydrophobicContact CE1-CG1 3.87Å; F62-V76 HydrophobicContact CE1-CG2 3.48Å; F62-V76 VanDerWaalsContact CE1-CG2 3.48Å; F62-V76 HydrophobicContact CZ-CG1 3.95Å; F62-V76 HydrophobicContact CZ-CG2 4.33Å; F62-H78 AromaticContact CD2-CE1 3.77Å; F62-H78 AromaticContact CE2-CE1 3.93Å; F62-M122 HydrophobicContact CE2-SD 4.42Å; F62-M122 HydrophobicContact CZ-CE 4.44Å; F62-M122 HydrophobicContact CZ-SD 3.82Å
63N95.8Very high95.4Very high116 Ų11641.5 Ų41.562%0.6222%0.216SC*.THydrogen-bonded Turntrans-94.9-1171.7-58.7-21.3000112.7D59 L61D59-N63 WeakPolarHBondContact O-CB 3.36Å; D59-N63 VanDerWaalsContact O-CG 3.32Å; D59-N63 PolarHBondContact O-N 2.97Å; D59-N63 PolarHBondContact O-ND2 3.16Å; L61-N63 VanDerWaalsContact C-N 3.32Å; L61-N63 PolarHBondContact O-N 3.32Å
64H95.8Very high95.3Very high47 Ų4741.5 Ų41.522%0.21822%0.216CC..SBendtrans-70.2141.1176.1-169.8-89.7000110.9L61 D66 M67 P283 G284L61-H64 VanDerWaalsContact O-CB 3.29Å; L61-H64 WeakPolarHBondContact O-CB 3.4Å; L61-H64 PolarHBondContact O-N 3.44Å; H64-D66 VanDerWaalsContact C-N 3.28Å; H64-D66 IonicContact CE1-OD2 3.67Å; H64-D66 PolarHBondContact CE1-OD2 3.2Å; H64-D66 VanDerWaalsContact CE1-OD2 3.27Å; H64-D66 PolarHBondContact ND1-N 3.43Å; H64-D66 IonicContact ND1-OD2 3.29Å; H64-D66 PolarHBondContact O-N 3.32Å; H64-M67 WeakPolarHBondContact O-CB 3.37Å; H64-M67 PolarHBondContact O-N 3.46Å; H64-P283 HydrophobicContact CB-CB 4.1Å; H64-G284 VanDerWaalsContact CE1-CA 3.47Å; H64-G284 WeakPolarHBondContact CE1-CA 3.49Å
65E94.2Very high95.3Very high150 Ų15041.3 Ų41.370%0.70122%0.216SC*.G310 helixtrans-55.6-40.3-175.159.7176.1-178.600113.4M67 A68E65-M67 PolarHBondContact O-N 2.99Å; E65-A68 VanDerWaalsContact O-CB 3.25Å; E65-A68 WeakPolarHBondContact O-CB 3.49Å; E65-A68 PolarHBondContact O-N 3.49Å; E65-A68 VanDerWaalsContact O-N 3.17Å
66D92.6Very high95.3Very high54 Ų5437.7 Ų37.729%0.28920%0.2SC..G310 helixtrans-64.9-23.5179-71.1-37000113H64 A68 T287H64-D66 VanDerWaalsContact C-N 3.28Å; H64-D66 IonicContact CE1-OD2 3.67Å; H64-D66 PolarHBondContact CE1-OD2 3.2Å; H64-D66 VanDerWaalsContact CE1-OD2 3.27Å; H64-D66 PolarHBondContact ND1-N 3.43Å; H64-D66 IonicContact ND1-OD2 3.29Å; H64-D66 PolarHBondContact O-N 3.32Å; D66-A68 VanDerWaalsContact C-N 3.32Å; D66-T287 HydrophobicContact CB-CG2 3.82Å; D66-T287 WeakPolarHBondContact O-CG2 3.36Å
67M95.2Very high95.4Very high0 Ų036.7 Ų36.70%019%0.192CC..G310 helixtrans-80.3-18.1-179.5-169.461.182.700111.4L61 F62 H64 E65 E69 I70 M71 T287 F290L61-M67 HydrophobicContact CD1-CE 3.84Å; L61-M67 HydrophobicContact CD2-CE 3.83Å; L61-M67 HydrophobicContact CG-CE 3.53Å; L61-M67 WeakPolarHBondContact O-CB 3.46Å; F62-M67 HydrophobicContact CD1-CG 3.99Å; F62-M67 HydrophobicContact CD1-SD 4.5Å; F62-M67 HydrophobicContact CE1-SD 4.46Å; H64-M67 WeakPolarHBondContact O-CB 3.37Å; H64-M67 PolarHBondContact O-N 3.46Å; E65-M67 PolarHBondContact O-N 2.99Å; M67-E69 VanDerWaalsContact C-N 3.26Å; M67-E69 PolarHBondContact O-N 2.91Å; M67-I70 PolarHBondContact O-N 3.24Å; M67-I70 HydrophobicContact SD-CB 3.78Å; M67-I70 HydrophobicContact SD-CD1 3.7Å; M67-I70 HydrophobicContact SD-CG1 4.19Å; M67-I70 HydrophobicContact SD-CG2 4.06Å; M67-M71 HydrophobicContact CG-CG 4.17Å; M67-M71 WeakPolarHBondContact O-CG 3.2Å; M67-M71 PolarHBondContact O-N 2.92Å; M67-T287 HydrophobicContact CB-CG2 4.1Å; M67-T287 HydrophobicContact CE-CG2 3.99Å; M67-T287 HydrophobicContact SD-CG2 4.03Å; M67-F290 HydrophobicContact CE-CD1 4.23Å; M67-F290 HydrophobicContact SD-CD1 4.36Å
68A91.9Very high95.4Very high52 Ų5236.7 Ų36.743%0.4319%0.192SC..Hα-helixtrans-57.4-38-179.900000112.5E65 D66 I70 M71 Q72E65-A68 VanDerWaalsContact O-CB 3.25Å; E65-A68 WeakPolarHBondContact O-CB 3.49Å; E65-A68 PolarHBondContact O-N 3.49Å; E65-A68 VanDerWaalsContact O-N 3.17Å; D66-A68 VanDerWaalsContact C-N 3.32Å; A68-I70 VanDerWaalsContact C-N 3.33Å; A68-I70 PolarHBondContact O-N 3.2Å; A68-M71 PolarHBondContact O-N 3.02Å; A68-Q72 WeakPolarHBondContact O-CG 3.32Å; A68-Q72 PolarHBondContact O-N 2.93Å; A68-Q72 VanDerWaalsContact O-N 3.15Å
69E91.3Very high95.4Very high54 Ų5436.7 Ų36.725%0.25219%0.192SC..Hα-helixtrans-61.3-41.2176-171.9-176.4-16300111.3M67 Q72 H73 K291 M300 A303 S304M67-E69 VanDerWaalsContact C-N 3.26Å; M67-E69 PolarHBondContact O-N 2.91Å; E69-Q72 PolarHBondContact O-N 3.2Å; E69-H73 PolarHBondContact O-CD2 3.11Å; E69-H73 VanDerWaalsContact O-CD2 3.3Å; E69-K291 IonicContact OE2-NZ 2.8Å; E69-K291 PolarHBondContact OE2-NZ 3.27Å; E69-M300 HydrophobicContact CG-CE 3.91Å; E69-A303 WeakPolarHBondContact OE1-CA 3.48Å; E69-A303 VanDerWaalsContact OE1-CB 3.24Å; E69-A303 WeakPolarHBondContact OE1-CB 3.46Å; E69-S304 PolarHBondContact OE1-N 2.91Å
70I93.7Very high95.5Very high1 Ų135 Ų351%0.00518%0.183CC..Hα-helixtrans-69.3-42178.6-61.2-178.5000110.3I44 M67 A68 Q72 H73 F74 T287 F290 K291 I294 M300I44-I70 HydrophobicContact CD1-CG2 3.99Å; M67-I70 PolarHBondContact O-N 3.24Å; M67-I70 HydrophobicContact SD-CB 3.78Å; M67-I70 HydrophobicContact SD-CD1 3.7Å; M67-I70 HydrophobicContact SD-CG1 4.19Å; M67-I70 HydrophobicContact SD-CG2 4.06Å; A68-I70 VanDerWaalsContact C-N 3.33Å; A68-I70 PolarHBondContact O-N 3.2Å; I70-Q72 PolarHBondContact O-N 3.22Å; I70-H73 PolarHBondContact O-N 3.44Å; I70-F74 HydrophobicContact CG2-CD2 3.89Å; I70-F74 PolarHBondContact O-N 2.48Å; I70-F74 VanDerWaalsContact O-N 3.11Å; I70-T287 HydrophobicContact CD1-CG2 4.07Å; I70-F290 HydrophobicContact CD1-CD1 3.67Å; I70-F290 HydrophobicContact CD1-CE1 4.32Å; I70-F290 HydrophobicContact CG2-CD1 4.41Å; I70-F290 HydrophobicContact CG2-CE1 4.04Å; I70-K291 HydrophobicContact CD1-CB 4.12Å; I70-I294 HydrophobicContact CD1-CD1 4.05Å; I70-I294 HydrophobicContact CG1-CD1 4.14Å; I70-I294 HydrophobicContact CG2-CD1 4.08Å; I70-M300 HydrophobicContact CB-SD 4.43Å; I70-M300 HydrophobicContact CG1-CE 4.09Å; I70-M300 HydrophobicContact CG1-SD 4.18Å; I70-M300 HydrophobicContact CG2-SD 4.48Å
71M93.4Very high95.6Very high19 Ų1932.6 Ų32.69%0.09417%0.167CC..Hα-helixtrans-62.9-22.2178.4-67.8-58.7-6800113.6I15 K34 F62 M67 A68 H73 V76I15-M71 HydrophobicContact CD1-CB 3.85Å; I15-M71 HydrophobicContact CD1-CE 3.92Å; I15-M71 HydrophobicContact CD1-CG 4.37Å; I15-M71 HydrophobicContact CG2-CE 4.36Å; K34-M71 HydrophobicContact CB-CE 4.15Å; F62-M71 HydrophobicContact CD1-SD 3.66Å; F62-M71 HydrophobicContact CE1-SD 4.1Å; M67-M71 HydrophobicContact CG-CG 4.17Å; M67-M71 WeakPolarHBondContact O-CG 3.2Å; M67-M71 PolarHBondContact O-N 2.92Å; A68-M71 PolarHBondContact O-N 3.02Å; M71-H73 PolarHBondContact O-N 2.98Å; M71-V76 HydrophobicContact CE-CB 4.37Å; M71-V76 HydrophobicContact CE-CG2 3.59Å; M71-V76 HydrophobicContact SD-CG2 3.32Å; M71-V76 WeakPolarHBondContact SD-CG2 3.35Å
72Q90.6Very high95.6Very high109 Ų10932.6 Ų32.651%0.50917%0.167SC..THydrogen-bonded Turntrans-67.8-23171.3-70.2173.51100112.6K38 A68 E69 I70K38-Q72 PolarHBondContact NZ-O 3.05Å; A68-Q72 WeakPolarHBondContact O-CG 3.32Å; A68-Q72 PolarHBondContact O-N 2.93Å; A68-Q72 VanDerWaalsContact O-N 3.15Å; E69-Q72 PolarHBondContact O-N 3.2Å; I70-Q72 PolarHBondContact O-N 3.22Å
73H91.9Very high95.6Very high61 Ų6132.2 Ų32.228%0.28217%0.166SC..THydrogen-bonded Turntrans-107.8-24.1-174-69.6-67.2000114.4E69 I70 M71 M300E69-H73 PolarHBondContact O-CD2 3.11Å; E69-H73 VanDerWaalsContact O-CD2 3.3Å; I70-H73 PolarHBondContact O-N 3.44Å; M71-H73 PolarHBondContact O-N 2.98Å; H73-M300 HydrophobicContact CB-CG 4Å; H73-M300 HydrophobicContact CB-SD 4.02Å
74F95.9Very high95.7Very high4 Ų426.7 Ų26.72%0.01814%0.137CC..  trans-126141-173.4-67.2-87000111.1P42 I44 I70 I120 I294 Y299 M300P42-F74 HydrophobicContact CG-CE1 4.24Å; P42-F74 WeakPolarHBondContact O-CD1 3.32Å; I44-F74 HydrophobicContact CD1-CB 3.6Å; I44-F74 HydrophobicContact CD1-CD1 4.48Å; I44-F74 HydrophobicContact CD1-CD2 4.47Å; I44-F74 HydrophobicContact CD1-CG 3.96Å; I44-F74 HydrophobicContact CG1-CB 4.02Å; I44-F74 HydrophobicContact CG1-CD1 4.29Å; I44-F74 HydrophobicContact CG1-CG 4.25Å; I70-F74 HydrophobicContact CG2-CD2 3.89Å; I70-F74 PolarHBondContact O-N 2.48Å; I70-F74 VanDerWaalsContact O-N 3.11Å; F74-I120 HydrophobicContact CE1-CD1 3.89Å; F74-I120 HydrophobicContact CZ-CD1 4.33Å; F74-I294 HydrophobicContact CE2-CD1 3.9Å; F74-Y299 HydrophobicContact CE1-CG 4.35Å; F74-Y299 HydrophobicContact CZ-CD1 4.22Å; F74-Y299 HydrophobicContact CZ-CD2 4.32Å; F74-Y299 AromaticContact CZ-CG 3.81Å; F74-Y299 HydrophobicContact CZ-CG 3.81Å; F74-M300 HydrophobicContact CD2-SD 4.14Å; F74-M300 HydrophobicContact CE2-CG 3.95Å; F74-M300 HydrophobicContact CE2-SD 3.67Å
75A97Very high95.8Very high3 Ų326.4 Ų26.43%0.02514%0.136CC..  trans-83.7155.6159.300000109.4M33 K34 P37 V43 I44M33-A75 HydrophobicContact SD-CB 4.24Å; K34-A75 WeakPolarHBondContact O-CA 3.24Å; P37-A75 HydrophobicContact CG-CB 4.39Å; V43-A75 HydrophobicContact CG2-CB 4.3Å; I44-A75 PolarHBondContact N-O 3.23Å
76V98.4Very high95.8Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-123.3128179.8-174.20000109M33 K34 I44 T46 F62 M71 H78M33-V76 CarbonylContact C-O 3.57Å; M33-V76 WeakPolarHBondContact CA-O 3.45Å; K34-V76 HydrophobicContact CB-CB 4.43Å; K34-V76 PolarHBondContact N-O 3.19Å; K34-V76 PolarHBondContact O-N 3.29Å; I44-V76 HydrophobicContact CB-CG1 4.4Å; I44-V76 HydrophobicContact CB-CG2 4.14Å; I44-V76 HydrophobicContact CD1-CG2 4.29Å; I44-V76 HydrophobicContact CG2-CG1 4.37Å; I44-V76 CarbonylContact O-C 3.52Å; I44-V76 VanDerWaalsContact O-CA 3.3Å; I44-V76 WeakPolarHBondContact O-CA 3.35Å; T46-V76 HydrophobicContact CG2-CG1 3.9Å; F62-V76 HydrophobicContact CD1-CG1 4.37Å; F62-V76 HydrophobicContact CD1-CG2 3.88Å; F62-V76 HydrophobicContact CE1-CB 4.33Å; F62-V76 HydrophobicContact CE1-CG1 3.87Å; F62-V76 HydrophobicContact CE1-CG2 3.48Å; F62-V76 VanDerWaalsContact CE1-CG2 3.48Å; F62-V76 HydrophobicContact CZ-CG1 3.95Å; F62-V76 HydrophobicContact CZ-CG2 4.33Å; M71-V76 HydrophobicContact CE-CB 4.37Å; M71-V76 HydrophobicContact CE-CG2 3.59Å; M71-V76 HydrophobicContact SD-CG2 3.32Å; M71-V76 WeakPolarHBondContact SD-CG2 3.35Å; V76-H78 VanDerWaalsContact CG1-CE1 3.42Å; V76-H78 WeakPolarHBondContact CG1-CE1 3.34Å
77C98.7Very high95.9Very high0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-107.7108.1170.1-176.30000108.2M33 V43 I44 L45 T46M33-C77 HydrophobicContact CE-CB 3.68Å; M33-C77 HydrophobicContact SD-CB 4.08Å; V43-C77 HydrophobicContact CG1-CB 3.73Å; I44-C77 PolarHBondContact O-N 3.17Å; L45-C77 WeakPolarHBondContact CA-O 3.42Å; L45-C77 HydrophobicContact CD1-CB 3.84Å; T46-C77 PolarHBondContact N-O 3.43Å
78H98.8Very high95.9Very high0 Ų025.3 Ų25.30%015%0.15CC..EExtended strand (participates in β ladder)trans-84.4124.2172.1-65.1-56.2000109.9C31 T32 T46 H54 F62 V76C31-H78 CarbonylContact C-O 3.58Å; C31-H78 WeakPolarHBondContact CA-O 3.41Å; T32-H78 PolarHBondContact N-O 3.44Å; T32-H78 PolarHBondContact O-N 3.15Å; T46-H78 WeakPolarHBondContact OG1-CA 3.29Å; T46-H78 PolarHBondContact OG1-ND1 3.29Å; H54-H78 HydrophobicContact CB-CB 3.63Å; H54-H78 AromaticContact CD2-CD2 3.87Å; H54-H78 AromaticContact CD2-CG 3.85Å; F62-H78 AromaticContact CD2-CE1 3.77Å; F62-H78 AromaticContact CE2-CE1 3.93Å; V76-H78 VanDerWaalsContact CG1-CE1 3.42Å; V76-H78 WeakPolarHBondContact CG1-CE1 3.34Å
79V98.8Very high96.2Very high0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-104123.7174.9-179.60000109L29 L45 T46 F47 H48 L107 V110L29-V79 HydrophobicContact CD1-CG1 4.13Å; L29-V79 HydrophobicContact CD2-CG1 3.64Å; L29-V79 HydrophobicContact CG-CG1 3.89Å; L45-V79 HydrophobicContact CD1-CG2 3.56Å; L45-V79 HydrophobicContact CG-CG2 4.3Å; T46-V79 WeakPolarHBondContact O-CB 3.5Å; T46-V79 PolarHBondContact O-N 3.44Å; F47-V79 HydrophobicContact CD2-CB 4.12Å; F47-V79 HydrophobicContact CD2-CG1 3.93Å; F47-V79 HydrophobicContact CE2-CB 4.47Å; F47-V79 HydrophobicContact CE2-CG1 3.78Å; H48-V79 PolarHBondContact CD2-O 3.05Å; V79-L107 HydrophobicContact CG1-CD2 4.45Å; V79-V110 HydrophobicContact CG2-CG1 4.42Å
80D98.8Very high96.5Very high2 Ų231.1 Ų31.11%0.01118%0.178CC..PPolyproline II helixtrans-91.4126.9165.9-73.5-36.4000109.4L29 H30 H48 H54 H85L29-D80 WeakPolarHBondContact CD1-O 3.47Å; H30-D80 HydrophobicContact CB-CB 4.35Å; H30-D80 IonicContact CD2-OD2 3.54Å; H30-D80 PolarHBondContact CD2-OD2 2.83Å; H30-D80 PolarHBondContact O-N 3.41Å; H48-D80 IonicContact CD2-OD1 3.62Å; H48-D80 IonicContact NE2-OD1 3.18Å; H54-D80 WeakPolarHBondContact CB-OD1 3.34Å; H54-D80 IonicContact CE1-OD2 3.85Å; H54-D80 IonicContact CG-OD1 2.8Å; H54-D80 IonicContact CG-OD2 3.43Å; H54-D80 PolarHBondContact N-OD1 3.14Å; H54-D80 VanDerWaalsContact ND1-CG 3.29Å; H54-D80 IonicContact ND1-OD1 3.79Å; H54-D80 PolarHBondContact ND1-OD1 3.45Å; H54-D80 VanDerWaalsContact ND1-OD1 3.11Å; H54-D80 IonicContact ND1-OD2 3.3Å; H54-D80 PolarHBondContact ND1-OD2 2.76Å; D80-H85 HydrophobicContact CB-CB 3.91Å; D80-H85 WeakPolarHBondContact OD2-CB 3.38Å
81A98.6Very high96.6Very high0 Ų033.2 Ų33.20%019%0.187CC..PPolyproline II helixtrans-55.4153.4171.900000110.3F47 H48 G83 Q84 F212F47-A81 HydrophobicContact CE1-CB 3.93Å; F47-A81 HydrophobicContact CZ-CB 3.98Å; H48-A81 PolarHBondContact NE2-N 3.24Å; A81-G83 PolarHBondContact O-N 3.39Å; A81-G83 VanDerWaalsContact O-N 3.15Å; A81-Q84 HydrophobicContact CB-CB 4.39Å; A81-Q84 HydrophobicContact CB-CG 3.73Å; A81-Q84 WeakPolarHBondContact O-CB 3.45Å; A81-Q84 WeakPolarHBondContact O-CG 3.49Å; A81-Q84 PolarHBondContact O-N 3.04Å; A81-F212 HydrophobicContact CB-CD1 4.21Å; A81-F212 HydrophobicContact CB-CD2 4.46Å; A81-F212 HydrophobicContact CB-CE1 3.83Å; A81-F212 HydrophobicContact CB-CE2 4.11Å; A81-F212 HydrophobicContact CB-CZ 3.78Å
82L98.1Very high96.7Very high1 Ų136.1 Ų36.11%0.00521%0.21CC..THydrogen-bonded Turntrans-53124.4-172.2-71170000111.6H26 R28 L29 Q84 F91 Y97 P98 L103H26-L82 HydrophobicContact CB-CD1 3.76Å; R28-L82 VanDerWaalsContact O-CD2 3.3Å; R28-L82 WeakPolarHBondContact O-CD2 3.37Å; L29-L82 HydrophobicContact CB-CD2 4.19Å; L29-L82 HydrophobicContact CD1-CD2 3.89Å; L29-L82 HydrophobicContact CD1-CG 3.92Å; L82-Q84 PolarHBondContact O-N 3.03Å; L82-Q84 PolarHBondContact O-NE2 3.38Å; L82-F91 HydrophobicContact CB-CE2 4.49Å; L82-F91 HydrophobicContact CB-CZ 4.13Å; L82-Y97 HydrophobicContact CB-CE2 3.94Å; L82-Y97 PolarHBondContact N-OH 2.8Å; L82-Y97 WeakPolarHBondContact O-CE2 3.32Å; L82-Y97 PolarHBondContact O-OH 3.47Å; L82-P98 HydrophobicContact CD1-CG 3.52Å; L82-L103 HydrophobicContact CD1-CD2 4.13Å; L82-L103 HydrophobicContact CG-CD2 4.38Å
83G97.6Very high96.7Very high3 Ų336.7 Ų36.73%0.03123%0.226CC..THydrogen-bonded Turntrans718.9179.600000116A81 A88 N208A81-G83 PolarHBondContact O-N 3.39Å; A81-G83 VanDerWaalsContact O-N 3.15Å; G83-A88 VanDerWaalsContact O-CB 3.25Å; G83-A88 WeakPolarHBondContact O-CB 3.38Å; G83-N208 WeakPolarHBondContact CA-ND2 3.42Å; G83-N208 WeakPolarHBondContact O-CB 3.34Å; G83-N208 PolarHBondContact O-ND2 3.22Å; G83-N208 VanDerWaalsContact O-ND2 3.14Å
84Q98.3Very high96.7Very high0 Ų036.7 Ų36.70%024%0.243CC..  trans-97.9-11178.8-48.5-49.4-54.800113.8N53 A81 L82 M204 N208 F212N53-Q84 VanDerWaalsContact CB-O 3.29Å; N53-Q84 WeakPolarHBondContact CB-O 3.29Å; A81-Q84 HydrophobicContact CB-CB 4.39Å; A81-Q84 HydrophobicContact CB-CG 3.73Å; A81-Q84 WeakPolarHBondContact O-CB 3.45Å; A81-Q84 WeakPolarHBondContact O-CG 3.49Å; A81-Q84 PolarHBondContact O-N 3.04Å; L82-Q84 PolarHBondContact O-N 3.03Å; L82-Q84 PolarHBondContact O-NE2 3.38Å; Q84-M204 HydrophobicContact CB-CE 4.25Å; Q84-M204 VanDerWaalsContact OE1-CE 3.3Å; Q84-N208 VanDerWaalsContact NE2-C 3.34Å; Q84-N208 PolarHBondContact NE2-O 2.82Å; Q84-F212 HydrophobicContact CG-CD1 3.82Å; Q84-F212 HydrophobicContact CG-CE1 4.4Å; Q84-F212 HydrophobicContact CG-CG 4.39Å
85H97.4Very high96.7Very high42 Ų4238.9 Ų38.919%0.19425%0.251CS..SBendtrans-63.5155.4173.361.2-89.8000111.6H30 D80 G87 A88H30-H85 HydrophobicContact CB-CB 3.85Å; H30-H85 AromaticContact CG-CG 3.93Å; D80-H85 HydrophobicContact CB-CB 3.91Å; D80-H85 WeakPolarHBondContact OD2-CB 3.38Å; H85-G87 PolarHBondContact O-N 2.84Å; H85-A88 WeakPolarHBondContact NE2-CA 3.26Å; H85-A88 VanDerWaalsContact O-CB 3.25Å; H85-A88 WeakPolarHBondContact O-CB 3.47Å; H85-A88 PolarHBondContact O-N 2.91Å
86E94.6Very high96.7Very high99 Ų9947 Ų4746%0.46329%0.289SS..THydrogen-bonded Turntrans-61.5132.6179.4-172.4171.7-161.400111.1K55 A88K55-E86 IonicContact NZ-OE2 3.11Å; K55-E86 PolarHBondContact NZ-OE2 3.45Å; E86-A88 VanDerWaalsContact C-N 3.28Å; E86-A88 PolarHBondContact O-N 3.41Å
87G94.4Very high96.7Very high71 Ų7148.4 Ų48.473%0.73229%0.294SS*.THydrogen-bonded Turntrans74.312.6-178.300000115H85 N89H85-G87 PolarHBondContact O-N 2.84Å; G87-N89 PolarHBondContact O-N 3.03Å
88A96.8Very high96.6Very high11 Ų1148.4 Ų48.49%0.09129%0.294CS..PPolyproline II helixtrans-56.4131.9177.600000113G83 H85 E86 N205G83-A88 VanDerWaalsContact O-CB 3.25Å; G83-A88 WeakPolarHBondContact O-CB 3.38Å; H85-A88 WeakPolarHBondContact NE2-CA 3.26Å; H85-A88 VanDerWaalsContact O-CB 3.25Å; H85-A88 WeakPolarHBondContact O-CB 3.47Å; H85-A88 PolarHBondContact O-N 2.91Å; E86-A88 VanDerWaalsContact C-N 3.28Å; E86-A88 PolarHBondContact O-N 3.41Å; A88-N205 PolarHBondContact O-ND2 3.3Å
89N96.4Very high96.6Very high136 Ų13650.7 Ų50.773%0.72731%0.31SS*.PPolyproline II helixtrans-63.1144.1171.3-70-47000110.8G87 F91 N208G87-N89 PolarHBondContact O-N 3.03Å; N89-F91 PolarHBondContact O-N 3.18Å; N89-N208 PolarHBondContact O-ND2 2.93Å
90T97.4Very high96.6Very high91 Ų9150.8 Ų50.856%0.55831%0.31SS*.PPolyproline II helixtrans-66.2129.3174-54.50000110.3N205 F207T90-N205 WeakPolarHBondContact CA-ND2 3.34Å; T90-N205 PolarHBondContact N-ND2 2.92Å; T90-N205 PolarHBondContact OG1-ND2 3.45Å; T90-F207 HydrophobicContact CG2-CB 3.77Å; T90-F207 HydrophobicContact CG2-CD1 3.68Å; T90-F207 HydrophobicContact CG2-CG 3.83Å
91F96.7Very high96.5Very high45 Ų4552 Ų5220%0.19732%0.317CS..PPolyproline II helixtrans-62.6159.6171.6-70-57000111.7L82 N89 Y95 Y97 F207 N208 L211L82-F91 HydrophobicContact CB-CE2 4.49Å; L82-F91 HydrophobicContact CB-CZ 4.13Å; N89-F91 PolarHBondContact O-N 3.18Å; F91-Y95 HydrophobicContact CB-CD1 3.83Å; F91-Y95 HydrophobicContact CB-CG 3.89Å; F91-Y95 HydrophobicContact CD1-CD1 4.02Å; F91-Y95 HydrophobicContact CD1-CD2 4.17Å; F91-Y95 HydrophobicContact CD1-CE1 4.02Å; F91-Y95 HydrophobicContact CD1-CE2 4.19Å; F91-Y95 HydrophobicContact CD1-CG 4.09Å; F91-Y95 AromaticContact CD2-CD1 3.85Å; F91-Y95 HydrophobicContact CD2-CD1 3.85Å; F91-Y95 AromaticContact CD2-CE1 3.82Å; F91-Y95 HydrophobicContact CD2-CE1 3.82Å; F91-Y95 HydrophobicContact CE1-CE1 4.12Å; F91-Y95 HydrophobicContact CE1-CE2 4.27Å; F91-Y95 AromaticContact CE1-CZ 3.97Å; F91-Y95 HydrophobicContact CE2-CD1 4.42Å; F91-Y95 AromaticContact CE2-CE1 3.93Å; F91-Y95 HydrophobicContact CE2-CE1 3.93Å; F91-Y95 AromaticContact CG-CD1 3.64Å; F91-Y95 HydrophobicContact CG-CD1 3.64Å; F91-Y95 AromaticContact CG-CE1 3.89Å; F91-Y95 HydrophobicContact CG-CE1 3.89Å; F91-Y95 AromaticContact CG-CG 3.97Å; F91-Y95 HydrophobicContact CG-CG 3.97Å; F91-Y95 HydrophobicContact CZ-CE1 4.09Å; F91-Y97 HydrophobicContact CE2-CD2 4.24Å; F91-Y97 HydrophobicContact CE2-CE2 4.14Å; F91-F207 HydrophobicContact CB-CD1 4.37Å; F91-F207 HydrophobicContact CB-CE1 4.07Å; F91-N208 HydrophobicContact CD2-CB 4.08Å; F91-N208 VanDerWaalsContact CD2-CG 3.45Å; F91-N208 WeakPolarHBondContact CD2-OD1 3.43Å; F91-N208 HydrophobicContact CE2-CB 4.23Å; F91-N208 PolarHBondContact N-OD1 3.46Å; F91-L211 HydrophobicContact CB-CD1 4.38Å; F91-L211 HydrophobicContact CD2-CD1 4.1Å
92S96.2Very high96.5Very high80 Ų8055.3 Ų55.356%0.55933%0.333SS*.PPolyproline II helixtrans-68.2154.317563.80000110.9G94 Y95S92-G94 PolarHBondContact O-N 3.4Å; S92-G94 VanDerWaalsContact O-N 3.1Å; S92-Y95 VanDerWaalsContact O-CB 3.23Å; S92-Y95 WeakPolarHBondContact O-CB 3.22Å; S92-Y95 PolarHBondContact O-N 2.93Å
93S89.8Confident96.5Very high121 Ų12155.3 Ų55.385%0.84633%0.332SS*.THydrogen-bonded Turntrans-61.1-21.9-177.953.90000114.6
94G92.4Very high96.6Very high62 Ų6255.1 Ų55.164%0.63933%0.331SS*.THydrogen-bonded Turntrans-101.311.517600000114.2S92 E96S92-G94 PolarHBondContact O-N 3.4Å; S92-G94 VanDerWaalsContact O-N 3.1Å; G94-E96 PolarHBondContact O-N 2.56Å
95Y96.3Very high96.6Very high49 Ų4959.7 Ų59.719%0.19235%0.352CS..  trans-69.5124.3178.6178.1-100.7000110.8H26 F91 S92 Y97 L211H26-Y95 PolarHBondContact O-OH 2.94Å; F91-Y95 HydrophobicContact CB-CD1 3.83Å; F91-Y95 HydrophobicContact CB-CG 3.89Å; F91-Y95 HydrophobicContact CD1-CD1 4.02Å; F91-Y95 HydrophobicContact CD1-CD2 4.17Å; F91-Y95 HydrophobicContact CD1-CE1 4.02Å; F91-Y95 HydrophobicContact CD1-CE2 4.19Å; F91-Y95 HydrophobicContact CD1-CG 4.09Å; F91-Y95 AromaticContact CD2-CD1 3.85Å; F91-Y95 HydrophobicContact CD2-CD1 3.85Å; F91-Y95 AromaticContact CD2-CE1 3.82Å; F91-Y95 HydrophobicContact CD2-CE1 3.82Å; F91-Y95 HydrophobicContact CE1-CE1 4.12Å; F91-Y95 HydrophobicContact CE1-CE2 4.27Å; F91-Y95 AromaticContact CE1-CZ 3.97Å; F91-Y95 HydrophobicContact CE2-CD1 4.42Å; F91-Y95 AromaticContact CE2-CE1 3.93Å; F91-Y95 HydrophobicContact CE2-CE1 3.93Å; F91-Y95 AromaticContact CG-CD1 3.64Å; F91-Y95 HydrophobicContact CG-CD1 3.64Å; F91-Y95 AromaticContact CG-CE1 3.89Å; F91-Y95 HydrophobicContact CG-CE1 3.89Å; F91-Y95 AromaticContact CG-CG 3.97Å; F91-Y95 HydrophobicContact CG-CG 3.97Å; F91-Y95 HydrophobicContact CZ-CE1 4.09Å; S92-Y95 VanDerWaalsContact O-CB 3.23Å; S92-Y95 WeakPolarHBondContact O-CB 3.22Å; S92-Y95 PolarHBondContact O-N 2.93Å; Y95-Y97 HydrophobicContact CD1-CD2 4.48Å; Y95-Y97 AromaticContact CE1-CD2 3.79Å; Y95-Y97 HydrophobicContact CE1-CD2 3.79Å; Y95-Y97 HydrophobicContact CE1-CG 4.29Å; Y95-Y97 PolarHBondContact O-N 2.9Å; Y95-L211 HydrophobicContact CD1-CD1 4.05Å
96E96.1Very high96.6Very high175 Ų17557.7 Ų57.782%0.81834%0.343SS*.  trans-86.8102173.7-67.3-176174.900109.3G94G94-E96 PolarHBondContact O-N 2.56Å
97Y98Very high96.8Very high28 Ų2853 Ų5311%0.1132%0.321CS..PPolyproline II helixtrans-67.3135.4177.6-163.5-85000110.5L82 F91 Y95 L103 L211 F212 A215L82-Y97 HydrophobicContact CB-CE2 3.94Å; L82-Y97 PolarHBondContact N-OH 2.8Å; L82-Y97 WeakPolarHBondContact O-CE2 3.32Å; L82-Y97 PolarHBondContact O-OH 3.47Å; F91-Y97 HydrophobicContact CE2-CD2 4.24Å; F91-Y97 HydrophobicContact CE2-CE2 4.14Å; Y95-Y97 HydrophobicContact CD1-CD2 4.48Å; Y95-Y97 AromaticContact CE1-CD2 3.79Å; Y95-Y97 HydrophobicContact CE1-CD2 3.79Å; Y95-Y97 HydrophobicContact CE1-CG 4.29Å; Y95-Y97 PolarHBondContact O-N 2.9Å; Y97-L103 HydrophobicContact CE1-CD1 4.18Å; Y97-L211 HydrophobicContact CD2-CB 3.59Å; Y97-L211 HydrophobicContact CD2-CD1 4.21Å; Y97-L211 HydrophobicContact CE2-CB 4.38Å; Y97-L211 HydrophobicContact CG-CB 3.75Å; Y97-F212 HydrophobicContact CE1-CB 4.1Å; Y97-F212 AromaticContact CE1-CD2 3.84Å; Y97-F212 HydrophobicContact CE1-CD2 3.84Å; Y97-F212 HydrophobicContact CE1-CG 4.38Å; Y97-F212 HydrophobicContact CE2-CB 4.38Å; Y97-F212 AromaticContact CZ-CD2 3.98Å; Y97-F212 WeakPolarHBondContact OH-CD2 3.27Å; Y97-A215 HydrophobicContact CD1-CB 3.7Å; Y97-A215 HydrophobicContact CE1-CB 4.01Å
98P98.1Very high97Very high1 Ų150.6 Ų50.61%0.00629%0.293CS..PPolyproline II helixtrans-63.5147.4-177.323.7-32.9000112.4H26 L82 Q102 L103H26-P98 HydrophobicContact CB-CB 4.24Å; H26-P98 HydrophobicContact CB-CG 3.97Å; L82-P98 HydrophobicContact CD1-CG 3.52Å; P98-Q102 HydrophobicContact CB-CB 3.61Å; P98-L103 HydrophobicContact CB-CD2 4.41Å; P98-L103 HydrophobicContact CB-CG 4.36Å; P98-L103 HydrophobicContact CG-CD2 3.62Å; P98-L103 HydrophobicContact CG-CG 4.01Å
99S98Very high97.1Very high47 Ų4752.9 Ų52.933%0.32930%0.303SS..PPolyproline II helixtrans-64165.8169.875.10000111.6D101 Q102 L103S99-D101 PolarHBondContact O-N 2.91Å; S99-D101 PolarHBondContact OG-N 2.68Å; S99-Q102 PolarHBondContact O-N 2.81Å; S99-Q102 VanDerWaalsContact O-N 3.1Å; S99-Q102 PolarHBondContact OG-N 2.9Å; S99-L103 PolarHBondContact O-N 3.21Å
100M98.1Very high97.2Very high2 Ų246.4 Ų46.41%0.0127%0.268CS..Hα-helixtrans-58.4-30.9175.1-62.1-53.3-66.600113.2L103 A104 A126 Y129 V130 F212 A215 Y216 R219M100-L103 HydrophobicContact SD-CD1 4.02Å; M100-A104 PolarHBondContact O-N 3.03Å; M100-A126 HydrophobicContact CE-CB 3.9Å; M100-A126 WeakPolarHBondContact CE-O 3.41Å; M100-Y129 HydrophobicContact CB-CD1 3.75Å; M100-Y129 HydrophobicContact CB-CE1 3.45Å; M100-Y129 VanDerWaalsContact CB-CE1 3.45Å; M100-Y129 HydrophobicContact CE-CD1 4.2Å; M100-Y129 HydrophobicContact CG-CD1 4.32Å; M100-Y129 HydrophobicContact CG-CE1 4.29Å; M100-V130 HydrophobicContact CE-CG2 3.31Å; M100-F212 HydrophobicContact CE-CE2 4.36Å; M100-F212 HydrophobicContact SD-CE2 4.17Å; M100-A215 WeakPolarHBondContact CG-O 3.27Å; M100-Y216 HydrophobicContact CE-CD2 3.86Å; M100-Y216 HydrophobicContact CG-CD2 4.38Å; M100-Y216 HydrophobicContact SD-CD2 4.15Å; M100-R219 HydrophobicContact CB-CB 4.31Å; M100-R219 HydrophobicContact CG-CB 3.8Å
101D97.6Very high97.2Very high27 Ų2742.1 Ų42.114%0.14424%0.242CC..Hα-helixtrans-71.5-44.7175.5-70.6-0.8000111S99 L103 A104 E105 Y129 R133 R220S99-D101 PolarHBondContact O-N 2.91Å; S99-D101 PolarHBondContact OG-N 2.68Å; D101-L103 VanDerWaalsContact C-N 3.31Å; D101-L103 PolarHBondContact O-N 2.92Å; D101-A104 WeakPolarHBondContact O-CB 3.37Å; D101-A104 PolarHBondContact O-N 2.96Å; D101-A104 VanDerWaalsContact O-N 3.07Å; D101-E105 WeakPolarHBondContact O-CG 3.32Å; D101-E105 PolarHBondContact O-N 2.86Å; D101-Y129 PolarHBondContact OD1-OH 3.18Å; D101-R133 IonicContact OD1-CZ 3.45Å; D101-R133 IonicContact OD1-NE 3.6Å; D101-R133 PolarHBondContact OD1-NE 3.16Å; D101-R133 IonicContact OD1-NH2 3.97Å; D101-R133 PolarHBondContact OD1-NH2 3.27Å; D101-R133 IonicContact OD2-NE 3.11Å; D101-R220 IonicContact OD1-NE 2.68Å; D101-R220 IonicContact OD2-CZ 3.54Å; D101-R220 IonicContact OD2-NE 2.78Å; D101-R220 PolarHBondContact OD2-NE 2.96Å; D101-R220 IonicContact OD2-NH2 3.69Å; D101-R220 PolarHBondContact OD2-NH2 2.99Å
102Q98.4Very high97.3Very high71 Ų7148 Ų4833%0.33227%0.267SS..Hα-helixtrans-64.7-34.6176.2-73.6173.1-42.900112.3P98 S99 A104 E105 T106P98-Q102 HydrophobicContact CB-CB 3.61Å; S99-Q102 PolarHBondContact O-N 2.81Å; S99-Q102 VanDerWaalsContact O-N 3.1Å; S99-Q102 PolarHBondContact OG-N 2.9Å; Q102-A104 VanDerWaalsContact C-N 3.32Å; Q102-A104 PolarHBondContact O-N 2.84Å; Q102-E105 WeakPolarHBondContact O-CB 3.46Å; Q102-E105 PolarHBondContact O-N 3.2Å; Q102-T106 WeakPolarHBondContact O-CG2 3.36Å; Q102-T106 PolarHBondContact O-N 2.83Å
103L98.5Very high97.4Very high0 Ų048.5 Ų48.50%026%0.261CS..Hα-helixtrans-60.3-42.5170.5-75.3176.6000111.4L82 Y97 P98 S99 M100 D101 E105 T106 V130 F212L82-L103 HydrophobicContact CD1-CD2 4.13Å; L82-L103 HydrophobicContact CG-CD2 4.38Å; Y97-L103 HydrophobicContact CE1-CD1 4.18Å; P98-L103 HydrophobicContact CB-CD2 4.41Å; P98-L103 HydrophobicContact CB-CG 4.36Å; P98-L103 HydrophobicContact CG-CD2 3.62Å; P98-L103 HydrophobicContact CG-CG 4.01Å; S99-L103 PolarHBondContact O-N 3.21Å; M100-L103 HydrophobicContact SD-CD1 4.02Å; D101-L103 VanDerWaalsContact C-N 3.31Å; D101-L103 PolarHBondContact O-N 2.92Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-E105 PolarHBondContact O-N 2.9Å; L103-T106 WeakPolarHBondContact O-CB 3.16Å; L103-T106 PolarHBondContact O-N 2.89Å; L103-T106 VanDerWaalsContact O-N 3.16Å; L103-T106 PolarHBondContact O-OG1 3.29Å; L103-V130 HydrophobicContact CB-CG1 4.46Å; L103-V130 HydrophobicContact CB-CG2 4.22Å; L103-F212 HydrophobicContact CD1-CD2 4.19Å; L103-F212 HydrophobicContact CD1-CE2 3.81Å
104A98.6Very high97.7Very high0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-64.4-36.2176.700000112.4M100 D101 Q102 T106 L107 V130 R133 F134M100-A104 PolarHBondContact O-N 3.03Å; D101-A104 WeakPolarHBondContact O-CB 3.37Å; D101-A104 PolarHBondContact O-N 2.96Å; D101-A104 VanDerWaalsContact O-N 3.07Å; Q102-A104 VanDerWaalsContact C-N 3.32Å; Q102-A104 PolarHBondContact O-N 2.84Å; A104-T106 PolarHBondContact O-N 3.1Å; A104-L107 PolarHBondContact O-N 2.79Å; A104-L107 VanDerWaalsContact O-N 3.15Å; A104-V130 HydrophobicContact CB-CG1 3.97Å; A104-V130 WeakPolarHBondContact CB-O 3.48Å; A104-R133 HydrophobicContact CB-CB 3.86Å; A104-R133 HydrophobicContact CB-CG 3.65Å; A104-F134 HydrophobicContact CB-CB 4.18Å
105E98.3Very high97.9Very high95 Ų9544.9 Ų44.944%0.44423%0.231SC..Hα-helixtrans-64.3-16.7175.4-68.6171.5-175.800113.5D101 Q102 L103 P108D101-E105 WeakPolarHBondContact O-CG 3.32Å; D101-E105 PolarHBondContact O-N 2.86Å; Q102-E105 WeakPolarHBondContact O-CB 3.46Å; Q102-E105 PolarHBondContact O-N 3.2Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-E105 PolarHBondContact O-N 2.9Å; E105-P108 WeakPolarHBondContact O-CD 3.27Å
106T98.3Very high97.9Very high1 Ų143.7 Ų43.71%0.00623%0.228CC..Hα-helixtrans-78.1-24.4174.3710000113.5T24 Q102 L103 A104 L109 V110T24-T106 HydrophobicContact CG2-CG2 4.02Å; Q102-T106 WeakPolarHBondContact O-CG2 3.36Å; Q102-T106 PolarHBondContact O-N 2.83Å; L103-T106 WeakPolarHBondContact O-CB 3.16Å; L103-T106 PolarHBondContact O-N 2.89Å; L103-T106 VanDerWaalsContact O-N 3.16Å; L103-T106 PolarHBondContact O-OG1 3.29Å; A104-T106 PolarHBondContact O-N 3.1Å; T106-L109 WeakPolarHBondContact O-CA 3.43Å; T106-L109 VanDerWaalsContact O-CB 3.23Å; T106-L109 WeakPolarHBondContact O-CB 3.34Å; T106-L109 PolarHBondContact O-N 2.89Å; T106-V110 PolarHBondContact O-N 2.99Å
107L98.7Very high97.9Very high0 Ų042.3 Ų42.30%022%0.219CC..Hα-helixtrans-64.1-37.3-173.9-60.8-173.2000114.3L45 F47 V79 A104 L109 V110 L111 V130 L131 F134L45-L107 HydrophobicContact CD2-CD1 4.25Å; L45-L107 HydrophobicContact CD2-CD2 4.44Å; F47-L107 HydrophobicContact CD2-CD2 4.16Å; F47-L107 HydrophobicContact CE2-CD2 4.14Å; V79-L107 HydrophobicContact CG1-CD2 4.45Å; A104-L107 PolarHBondContact O-N 2.79Å; A104-L107 VanDerWaalsContact O-N 3.15Å; L107-L109 PolarHBondContact O-N 2.89Å; L107-V110 HydrophobicContact CD2-CG2 4.48Å; L107-V110 WeakPolarHBondContact O-CB 3.43Å; L107-V110 PolarHBondContact O-N 2.81Å; L107-L111 VanDerWaalsContact O-CD1 3.27Å; L107-L111 WeakPolarHBondContact O-CD1 3.45Å; L107-L111 PolarHBondContact O-N 3.19Å; L107-V130 HydrophobicContact CD1-CG1 4Å; L107-L131 HydrophobicContact CD1-CD2 3.66Å; L107-F134 HydrophobicContact CB-CD1 4.31Å; L107-F134 HydrophobicContact CB-CD2 3.83Å; L107-F134 HydrophobicContact CB-CE1 4.4Å; L107-F134 HydrophobicContact CB-CE2 3.99Å; L107-F134 HydrophobicContact CB-CG 4.03Å; L107-F134 HydrophobicContact CB-CZ 4.27Å; L107-F134 HydrophobicContact CD1-CB 3.84Å; L107-F134 HydrophobicContact CD1-CD1 3.82Å; L107-F134 HydrophobicContact CD1-CD2 4.41Å; L107-F134 HydrophobicContact CD1-CE1 4.49Å; L107-F134 HydrophobicContact CD1-CG 3.77Å; L107-F134 HydrophobicContact CG-CG 4.48Å
108P98.7Very high97.9Very high21 Ų2141.6 Ų41.614%0.13622%0.218CC..Hα-helixtrans-54.4-32.4168.8-25.732000113.9E105 K112 F134 Y138 M141E105-P108 WeakPolarHBondContact O-CD 3.27Å; P108-K112 VanDerWaalsContact O-CB 3.31Å; P108-K112 WeakPolarHBondContact O-CB 3.36Å; P108-K112 PolarHBondContact O-N 2.88Å; P108-F134 HydrophobicContact CG-CD2 4.34Å; P108-F134 HydrophobicContact CG-CE2 3.92Å; P108-Y138 HydrophobicContact CG-CD1 4.16Å; P108-Y138 HydrophobicContact CG-CD2 3.84Å; P108-Y138 HydrophobicContact CG-CE1 3.95Å; P108-Y138 HydrophobicContact CG-CE2 3.6Å; P108-Y138 HydrophobicContact CG-CG 4.09Å; P108-M141 HydrophobicContact CB-SD 4.25Å; P108-M141 HydrophobicContact CG-SD 4.46Å
109L98.4Very high97.9Very high58 Ų5841.6 Ų41.630%0.30422%0.218SC..Hα-helixtrans-71.6-36.8177.6-53.5176.3000111.3V22 T24 T106 L107 K112 H113V22-L109 HydrophobicContact CG1-CB 4.45Å; T24-L109 HydrophobicContact CG2-CD1 4.13Å; T106-L109 WeakPolarHBondContact O-CA 3.43Å; T106-L109 VanDerWaalsContact O-CB 3.23Å; T106-L109 WeakPolarHBondContact O-CB 3.34Å; T106-L109 PolarHBondContact O-N 2.89Å; L107-L109 PolarHBondContact O-N 2.89Å; L109-K112 PolarHBondContact O-N 3.29Å; L109-H113 WeakPolarHBondContact O-CB 3.45Å; L109-H113 PolarHBondContact O-N 3.43Å
110V98.5Very high97.9Very high0 Ų039.3 Ų39.30%020%0.203CC..Hα-helixtrans-61.6-50.6172.3-179.60000110.4V22 L29 L45 V79 T106 L107 K112 H113 F114V22-V110 HydrophobicContact CG1-CG2 4.43Å; L29-V110 HydrophobicContact CD2-CG2 3.6Å; L45-V110 HydrophobicContact CD1-CG1 4.37Å; V79-V110 HydrophobicContact CG2-CG1 4.42Å; T106-V110 PolarHBondContact O-N 2.99Å; L107-V110 HydrophobicContact CD2-CG2 4.48Å; L107-V110 WeakPolarHBondContact O-CB 3.43Å; L107-V110 PolarHBondContact O-N 2.81Å; V110-K112 VanDerWaalsContact C-N 3.28Å; V110-K112 PolarHBondContact O-N 2.68Å; V110-H113 PolarHBondContact O-N 2.85Å; V110-F114 HydrophobicContact CG1-CD2 3.88Å; V110-F114 HydrophobicContact CG1-CE2 3.9Å; V110-F114 VanDerWaalsContact O-CD2 3.27Å; V110-F114 WeakPolarHBondContact O-CD2 3.46Å; V110-F114 PolarHBondContact O-N 2.85Å
111L98.3Very high98Very high2 Ų239.2 Ų39.21%0.0120%0.202CC..Hα-helixtrans-58.6-43.5177.3-86.568.8000111L45 L107 F114 G115 L116 V119 F134 M141L45-L111 HydrophobicContact CD2-CD1 4.24Å; L107-L111 VanDerWaalsContact O-CD1 3.27Å; L107-L111 WeakPolarHBondContact O-CD1 3.45Å; L107-L111 PolarHBondContact O-N 3.19Å; L111-F114 PolarHBondContact O-N 2.93Å; L111-G115 PolarHBondContact O-N 3.04Å; L111-L116 HydrophobicContact CB-CB 4.15Å; L111-L116 HydrophobicContact CG-CB 4.02Å; L111-L116 HydrophobicContact CG-CD1 4.46Å; L111-L116 PolarHBondContact O-N 2.81Å; L111-V119 HydrophobicContact CD1-CG1 3.87Å; L111-V119 HydrophobicContact CD2-CG1 4.11Å; L111-V119 HydrophobicContact CG-CG1 3.98Å; L111-F134 HydrophobicContact CD1-CZ 4.26Å; L111-F134 HydrophobicContact CD2-CZ 4.18Å; L111-M141 HydrophobicContact CD2-CB 3.84Å; L111-M141 HydrophobicContact CD2-CG 4.16Å; L111-M141 HydrophobicContact CD2-SD 4.14Å
112K98.1Very high98Very high167 Ų16738 Ų3873%0.72620%0.195SC*.Hα-helixtrans-61.6-44.6177.2-176.8-176.7176.6-173.30112.4P108 L109 V110 F114 G115P108-K112 VanDerWaalsContact O-CB 3.31Å; P108-K112 WeakPolarHBondContact O-CB 3.36Å; P108-K112 PolarHBondContact O-N 2.88Å; L109-K112 PolarHBondContact O-N 3.29Å; V110-K112 VanDerWaalsContact C-N 3.28Å; V110-K112 PolarHBondContact O-N 2.68Å; K112-F114 VanDerWaalsContact C-N 3.29Å; K112-F114 PolarHBondContact O-N 2.78Å; K112-G115 PolarHBondContact O-N 3.41Å
113H97.7Very high98.1Very high92 Ų9234.6 Ų34.643%0.42618%0.179SC..Hα-helixtrans-57.4-43.8179.1-18085.6000111.6H20 V22 L109 V110H20-H113 AromaticContact CG-NE2 3.83Å; H20-H113 AromaticContact ND1-NE2 3.27Å; H20-H113 PolarHBondContact ND1-NE2 3.08Å; V22-H113 HydrophobicContact CG1-CB 4.02Å; V22-H113 HydrophobicContact CG2-CB 4.09Å; L109-H113 WeakPolarHBondContact O-CB 3.45Å; L109-H113 PolarHBondContact O-N 3.43Å; V110-H113 PolarHBondContact O-N 2.85Å
114F96.6Very high98.1Very high40 Ų4034.6 Ų34.618%0.17518%0.179CC..THydrogen-bonded Turntrans-88.91.1179.9-67.2-67.3000114.4H20 V22 C31 M33 V110 L111 K112 L116H20-F114 HydrophobicContact CB-CE1 4.24Å; H20-F114 HydrophobicContact CB-CZ 3.8Å; H20-F114 AromaticContact CD2-CE1 3.54Å; H20-F114 AromaticContact CD2-CZ 3.74Å; H20-F114 AromaticContact CE1-CE1 3.89Å; H20-F114 AromaticContact CG-CE1 3.61Å; H20-F114 AromaticContact CG-CZ 3.68Å; H20-F114 AromaticContact ND1-CE1 3.82Å; H20-F114 AromaticContact NE2-CE1 3.74Å; V22-F114 HydrophobicContact CG2-CE2 4.36Å; C31-F114 HydrophobicContact CB-CE2 3.93Å; C31-F114 HydrophobicContact CB-CZ 4.03Å; M33-F114 HydrophobicContact CB-CE1 4.3Å; M33-F114 HydrophobicContact CE-CB 4.18Å; M33-F114 HydrophobicContact CE-CD1 3.54Å; M33-F114 HydrophobicContact CE-CD2 3.87Å; M33-F114 HydrophobicContact CE-CE1 3.75Å; M33-F114 HydrophobicContact CE-CE2 4.09Å; M33-F114 HydrophobicContact CE-CG 3.6Å; M33-F114 HydrophobicContact CE-CZ 4.02Å; V110-F114 HydrophobicContact CG1-CD2 3.88Å; V110-F114 HydrophobicContact CG1-CE2 3.9Å; V110-F114 VanDerWaalsContact O-CD2 3.27Å; V110-F114 WeakPolarHBondContact O-CD2 3.46Å; V110-F114 PolarHBondContact O-N 2.85Å; L111-F114 PolarHBondContact O-N 2.93Å; K112-F114 VanDerWaalsContact C-N 3.29Å; K112-F114 PolarHBondContact O-N 2.78Å; F114-L116 VanDerWaalsContact C-N 3.31Å; F114-L116 HydrophobicContact CB-CD1 3.87Å; F114-L116 HydrophobicContact CB-CD2 4.08Å; F114-L116 HydrophobicContact CB-CG 3.63Å; F114-L116 PolarHBondContact O-N 2.8Å
115G96.3Very high98.1Very high66 Ų6634.6 Ų34.668%0.6818%0.179SC*.THydrogen-bonded Turntrans66.428.7-178.500000114.5L111 K112L111-G115 PolarHBondContact O-N 3.04Å; K112-G115 PolarHBondContact O-N 3.41Å
116L96.5Very high98.1Very high25 Ų2530 Ų3013%0.13116%0.158CC..  trans-86.5138.6-176-50.8178.6000111.2P37 V43 L111 F114 V119P37-L116 HydrophobicContact CB-CD2 4.18Å; P37-L116 HydrophobicContact CG-CD2 3.9Å; V43-L116 HydrophobicContact CB-CD1 3.94Å; V43-L116 HydrophobicContact CB-CD2 4.41Å; V43-L116 HydrophobicContact CG1-CD1 4.24Å; V43-L116 HydrophobicContact CG2-CD1 3.93Å; V43-L116 HydrophobicContact CG2-CD2 3.52Å; V43-L116 HydrophobicContact CG2-CG 4.33Å; L111-L116 HydrophobicContact CB-CB 4.15Å; L111-L116 HydrophobicContact CG-CB 4.02Å; L111-L116 HydrophobicContact CG-CD1 4.46Å; L111-L116 PolarHBondContact O-N 2.81Å; F114-L116 VanDerWaalsContact C-N 3.31Å; F114-L116 HydrophobicContact CB-CD1 3.87Å; F114-L116 HydrophobicContact CB-CD2 4.08Å; F114-L116 HydrophobicContact CB-CG 3.63Å; F114-L116 PolarHBondContact O-N 2.8Å; L116-V119 HydrophobicContact CD1-CG1 4.47Å
117K96Very high98.1Very high145 Ų14530 Ų3063%0.6316%0.158SC*.SBendtrans-84.2-41.1174.6-67.4177.9179.9170.50112.1D40D40-K117 IonicContact OD1-NZ 3.27Å; D40-K117 PolarHBondContact OD1-NZ 2.82Å; D40-K117 IonicContact OD2-NZ 3.88Å
118S97.9Very high98.1Very high13 Ų1330 Ų309%0.09116%0.158CC..  trans-156.2162-171.355.20000111.6P42 V43 M141 E143P42-S118 WeakPolarHBondContact CA-O 3.39Å; V43-S118 PolarHBondContact N-O 3.21Å; S118-M141 CarbonylContact C-O 3.58Å; S118-M141 WeakPolarHBondContact CA-O 3.37Å; S118-E143 WeakPolarHBondContact CB-OE1 3.16Å; S118-E143 PolarHBondContact OG-OE1 3.38Å
119V98.8Very high98.1Very high1 Ų129 Ų291%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-135157.5180-62.20000112.6V43 L45 L111 L116 F134 M141 V142 E143V43-V119 CarbonylContact O-C 3.58Å; V43-V119 WeakPolarHBondContact O-CA 3.34Å; V43-V119 VanDerWaalsContact O-CB 3.32Å; V43-V119 WeakPolarHBondContact O-CB 3.47Å; L45-V119 HydrophobicContact CB-CB 3.83Å; L45-V119 HydrophobicContact CB-CG1 3.92Å; L45-V119 HydrophobicContact CB-CG2 4.07Å; L45-V119 HydrophobicContact CD2-CG1 4.42Å; L45-V119 HydrophobicContact CD2-CG2 4.09Å; L111-V119 HydrophobicContact CD1-CG1 3.87Å; L111-V119 HydrophobicContact CD2-CG1 4.11Å; L111-V119 HydrophobicContact CG-CG1 3.98Å; L116-V119 HydrophobicContact CD1-CG1 4.47Å; V119-F134 HydrophobicContact CG2-CE1 3.95Å; V119-M141 PolarHBondContact N-O 2.84Å; V119-V142 HydrophobicContact CG2-CG2 4.43Å; V119-E143 PolarHBondContact O-N 3.15Å
120I98.8Very high98.1Very high0 Ų026.2 Ų26.20%014%0.137CC..EExtended strand (participates in β ladder)trans-100.9112.2158.9-61.8166.9000106.2P42 V43 I44 L45 F74 E143 G144 F290 F293 I294 M297 Y299P42-I120 HydrophobicContact CB-CG1 4.13Å; P42-I120 HydrophobicContact CG-CD1 3.75Å; P42-I120 HydrophobicContact CG-CG1 3.83Å; V43-I120 PolarHBondContact O-N 2.82Å; I44-I120 CarbonylContact C-O 3.49Å; I44-I120 WeakPolarHBondContact CA-O 3.47Å; L45-I120 PolarHBondContact N-O 3.2Å; F74-I120 HydrophobicContact CE1-CD1 3.89Å; F74-I120 HydrophobicContact CZ-CD1 4.33Å; I120-E143 HydrophobicContact CG1-CB 4.48Å; I120-G144 CarbonylContact C-O 3.55Å; I120-G144 WeakPolarHBondContact CA-O 3.44Å; I120-F290 HydrophobicContact CG2-CE2 3.94Å; I120-F290 HydrophobicContact CG2-CZ 4.11Å; I120-F293 HydrophobicContact CG2-CE1 4.41Å; I120-I294 HydrophobicContact CD1-CG2 4.1Å; I120-M297 HydrophobicContact CD1-CE 3.68Å; I120-M297 HydrophobicContact CG1-CE 3.97Å; I120-M297 HydrophobicContact CG2-CE 4.17Å; I120-Y299 HydrophobicContact CD1-CD2 4.21Å; I120-Y299 HydrophobicContact CD1-CE2 4.28Å
121G98.9Very high98.1Very high0 Ų026.2 Ų26.20%014%0.137CC..EExtended strand (participates in β ladder)trans-83.5136.6-176.300000112.3L45 G144 L145 M146L45-G121 CarbonylContact O-C 3.53Å; L45-G121 WeakPolarHBondContact O-CA 3.38Å; G121-G144 PolarHBondContact N-O 2.9Å; G121-L145 CarbonylContact O-C 3.55Å; G121-L145 WeakPolarHBondContact O-CA 3.33Å; G121-M146 PolarHBondContact O-N 3.44Å
122M98.9Very high98.2Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-123.5115.7169.1-61.8-175.161.600109.2I44 L45 T46 F47 W58 L61 F62 L131 M146 F290I44-M122 HydrophobicContact CG2-CG 3.93Å; I44-M122 HydrophobicContact CG2-SD 3.59Å; I44-M122 VanDerWaalsContact CG2-SD 3.59Å; L45-M122 PolarHBondContact O-N 2.86Å; T46-M122 CarbonylContact C-O 3.52Å; T46-M122 WeakPolarHBondContact CA-O 3.37Å; T46-M122 HydrophobicContact CG2-CB 4.31Å; F47-M122 PolarHBondContact N-O 2.87Å; W58-M122 HydrophobicContact CH2-CB 3.75Å; W58-M122 HydrophobicContact CH2-CE 4.43Å; W58-M122 HydrophobicContact CZ2-CB 4.24Å; W58-M122 VanDerWaalsContact CZ2-O 3.25Å; W58-M122 WeakPolarHBondContact CZ2-O 3.26Å; W58-M122 HydrophobicContact CZ3-CB 4.2Å; W58-M122 HydrophobicContact CZ3-CE 3.84Å; L61-M122 HydrophobicContact CD2-CE 3.65Å; F62-M122 HydrophobicContact CE2-SD 4.42Å; F62-M122 HydrophobicContact CZ-CE 4.44Å; F62-M122 HydrophobicContact CZ-SD 3.82Å; M122-L131 WeakPolarHBondContact O-CD1 3.47Å; M122-M146 WeakPolarHBondContact CA-O 3.2Å; M122-M146 HydrophobicContact CE-SD 3.6Å; M122-M146 VanDerWaalsContact CE-SD 3.6Å; M122-M146 HydrophobicContact CG-CB 4.2Å; M122-F290 HydrophobicContact CG-CE2 4.21Å; M122-F290 HydrophobicContact CG-CZ 4.34Å; M122-F290 HydrophobicContact SD-CD1 4.33Å; M122-F290 HydrophobicContact SD-CD2 4.33Å; M122-F290 HydrophobicContact SD-CE1 3.89Å; M122-F290 HydrophobicContact SD-CE2 3.88Å; M122-F290 HydrophobicContact SD-CZ 3.64Å
123G98.9Very high98.2Very high0 Ų018.2 Ų18.20%010%0.102CC..EExtended strand (participates in β ladder)trans-130.2146.7-175.200000112.1F47 M146 I148F47-G123 WeakPolarHBondContact O-CA 3.39Å; G123-M146 PolarHBondContact N-O 2.67Å; G123-I148 PolarHBondContact O-N 3.09Å
124I98.7Very high98.2Very high0 Ų013.8 Ų13.80%08%0.082CC..EExtended strand (participates in β ladder)trans-121.5130.5172.3-44.4-161.4000109.5F47 D49 C57 W58 A126 G127 A128 I148 Q279F47-I124 PolarHBondContact O-N 3.09Å; D49-I124 WeakPolarHBondContact CA-O 3.25Å; D49-I124 HydrophobicContact CB-CB 4.21Å; D49-I124 HydrophobicContact CB-CG2 4.16Å; D49-I124 WeakPolarHBondContact CB-O 3.26Å; C57-I124 VanDerWaalsContact SG-CD1 3.51Å; W58-I124 HydrophobicContact CH2-CD1 3.72Å; W58-I124 HydrophobicContact CH2-CG1 3.38Å; W58-I124 HydrophobicContact CZ2-CD1 4.01Å; W58-I124 HydrophobicContact CZ2-CG1 3.48Å; W58-I124 VanDerWaalsContact CZ2-CG1 3.48Å; W58-I124 HydrophobicContact CZ3-CD1 3.98Å; W58-I124 HydrophobicContact CZ3-CG1 4.16Å; I124-A126 PolarHBondContact O-N 2.81Å; I124-G127 WeakPolarHBondContact O-CA 3.42Å; I124-G127 PolarHBondContact O-N 2.88Å; I124-A128 PolarHBondContact O-N 2.8Å; I124-I148 CarbonylContact C-O 3.53Å; I124-I148 VanDerWaalsContact CA-O 3.28Å; I124-I148 WeakPolarHBondContact CA-O 3.47Å; I124-I148 HydrophobicContact CB-CB 4.33Å; I124-I148 HydrophobicContact CD1-CB 4.38Å; I124-I148 HydrophobicContact CD1-CD1 3.92Å; I124-I148 HydrophobicContact CG1-CB 3.98Å; I124-I148 HydrophobicContact CG1-CD1 4.07Å; I124-I148 HydrophobicContact CG1-CG1 4.35Å; I124-I148 HydrophobicContact CG2-CB 4.17Å; I124-I148 HydrophobicContact CG2-CG2 4.2Å; I124-Q279 HydrophobicContact CD1-CG 3.83Å
125G98.3Very high98.3Very high0 Ų012 Ų120%07%0.074CC..THydrogen-bonded Turntrans49.9-110.5176.400000112.9D49 G127 A128 Y129 I148D49-G125 WeakPolarHBondContact OD2-CA 3.36Å; G125-G127 VanDerWaalsContact C-N 3.31Å; G125-G127 PolarHBondContact O-N 2.92Å; G125-A128 WeakPolarHBondContact O-CA 3.32Å; G125-A128 WeakPolarHBondContact O-CB 3.19Å; G125-A128 PolarHBondContact O-N 2.89Å; G125-Y129 PolarHBondContact O-N 2.79Å; G125-I148 PolarHBondContact N-O 2.98Å
126A98.4Very high98.4Very high0 Ų010 Ų100%05%0.048CC..Hα-helixtrans-54.4-43.8174.600000112.8D49 I50 M100 I124 A128 Y129 V130 F212 Y216D49-A126 WeakPolarHBondContact OD1-CB 3.28Å; D49-A126 PolarHBondContact OD1-N 3.33Å; I50-A126 HydrophobicContact CG2-CB 3.96Å; M100-A126 HydrophobicContact CE-CB 3.9Å; M100-A126 WeakPolarHBondContact CE-O 3.41Å; I124-A126 PolarHBondContact O-N 2.81Å; A126-A128 VanDerWaalsContact C-N 3.33Å; A126-A128 PolarHBondContact O-N 2.89Å; A126-Y129 WeakPolarHBondContact O-CB 3.22Å; A126-Y129 PolarHBondContact O-N 2.99Å; A126-V130 WeakPolarHBondContact O-CG2 3.3Å; A126-V130 PolarHBondContact O-N 2.98Å; A126-F212 HydrophobicContact CB-CE2 4.49Å; A126-F212 HydrophobicContact CB-CZ 3.98Å; A126-Y216 VanDerWaalsContact CA-CE2 3.48Å; A126-Y216 HydrophobicContact CB-CD1 4.4Å; A126-Y216 HydrophobicContact CB-CD2 3.59Å; A126-Y216 HydrophobicContact CB-CE2 3.82Å; A126-Y216 HydrophobicContact CB-CG 3.9Å
127G98.8Very high98.5Very high0 Ų011.9 Ų11.90%06%0.058CC..Hα-helixtrans-65.8-33.8175.300000113.6H48 I124 G125 Y129 V130 L131H48-G127 WeakPolarHBondContact O-CA 3.47Å; H48-G127 PolarHBondContact O-N 3.01Å; H48-G127 VanDerWaalsContact O-N 3.13Å; I124-G127 WeakPolarHBondContact O-CA 3.42Å; I124-G127 PolarHBondContact O-N 2.88Å; G125-G127 VanDerWaalsContact C-N 3.31Å; G125-G127 PolarHBondContact O-N 2.92Å; G127-Y129 VanDerWaalsContact C-N 3.35Å; G127-V130 PolarHBondContact O-N 3.18Å; G127-L131 WeakPolarHBondContact O-CB 3.44Å; G127-L131 WeakPolarHBondContact O-CG 3.46Å; G127-L131 PolarHBondContact O-N 2.92Å
128A98.8Very high98.6Very high0 Ų08.9 Ų8.90%04%0.043CC..Hα-helixtrans-65.4-40.5172.800000111.3I124 G125 A126 T132 L147 I150I124-A128 PolarHBondContact O-N 2.8Å; G125-A128 WeakPolarHBondContact O-CA 3.32Å; G125-A128 WeakPolarHBondContact O-CB 3.19Å; G125-A128 PolarHBondContact O-N 2.89Å; A126-A128 VanDerWaalsContact C-N 3.33Å; A126-A128 PolarHBondContact O-N 2.89Å; A128-T132 VanDerWaalsContact O-CB 3.31Å; A128-T132 WeakPolarHBondContact O-CB 3.38Å; A128-T132 PolarHBondContact O-N 2.84Å; A128-T132 PolarHBondContact O-OG1 3.16Å; A128-L147 HydrophobicContact CB-CB 4.22Å; A128-L147 HydrophobicContact CB-CD2 3.96Å; A128-I150 HydrophobicContact CB-CB 3.79Å; A128-I150 HydrophobicContact CB-CD1 4.36Å; A128-I150 HydrophobicContact CB-CG1 4.15Å
129Y98.7Very high98.6Very high0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-62.3-49.7173.4-179.8-75.4000111.4M100 D101 G125 A126 G127 L131 T132 R133 R219 R220 L222M100-Y129 HydrophobicContact CB-CD1 3.75Å; M100-Y129 HydrophobicContact CB-CE1 3.45Å; M100-Y129 VanDerWaalsContact CB-CE1 3.45Å; M100-Y129 HydrophobicContact CE-CD1 4.2Å; M100-Y129 HydrophobicContact CG-CD1 4.32Å; M100-Y129 HydrophobicContact CG-CE1 4.29Å; D101-Y129 PolarHBondContact OD1-OH 3.18Å; G125-Y129 PolarHBondContact O-N 2.79Å; A126-Y129 WeakPolarHBondContact O-CB 3.22Å; A126-Y129 PolarHBondContact O-N 2.99Å; G127-Y129 VanDerWaalsContact C-N 3.35Å; Y129-L131 PolarHBondContact O-N 2.88Å; Y129-T132 PolarHBondContact O-N 3.28Å; Y129-R133 PolarHBondContact O-N 3.2Å; Y129-R133 PolarHBondContact OH-NH2 3.44Å; Y129-R219 HydrophobicContact CE1-CB 4.48Å; Y129-R219 HydrophobicContact CE2-CB 4.28Å; Y129-R219 HydrophobicContact CE2-CG 4.18Å; Y129-R220 VanDerWaalsContact CE2-O 3.29Å; Y129-R220 WeakPolarHBondContact CE2-O 3.39Å; Y129-R220 PolarHBondContact OH-O 2.83Å; Y129-L222 HydrophobicContact CD2-CD1 3.91Å; Y129-L222 HydrophobicContact CD2-CD2 3.95Å; Y129-L222 HydrophobicContact CD2-CG 3.73Å; Y129-L222 HydrophobicContact CE1-CD2 4.13Å; Y129-L222 HydrophobicContact CE2-CD1 4.17Å; Y129-L222 HydrophobicContact CE2-CD2 3.52Å; Y129-L222 HydrophobicContact CE2-CG 3.45Å; Y129-L222 VanDerWaalsContact CE2-CG 3.45Å; Y129-L222 HydrophobicContact CG-CD2 4.44Å
130V98.8Very high98.6Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-57.7-49.6179.2174.60000110.9F47 M100 L103 A104 L107 A126 G127 T132 R133 F134F47-V130 HydrophobicContact CD2-CG1 4.08Å; F47-V130 HydrophobicContact CE1-CB 4.49Å; F47-V130 HydrophobicContact CE1-CG2 4.11Å; F47-V130 HydrophobicContact CE2-CG1 3.89Å; F47-V130 HydrophobicContact CZ-CB 4.5Å; F47-V130 HydrophobicContact CZ-CG1 4.19Å; F47-V130 HydrophobicContact CZ-CG2 4.19Å; M100-V130 HydrophobicContact CE-CG2 3.31Å; L103-V130 HydrophobicContact CB-CG1 4.46Å; L103-V130 HydrophobicContact CB-CG2 4.22Å; A104-V130 HydrophobicContact CB-CG1 3.97Å; A104-V130 WeakPolarHBondContact CB-O 3.48Å; L107-V130 HydrophobicContact CD1-CG1 4Å; A126-V130 WeakPolarHBondContact O-CG2 3.3Å; A126-V130 PolarHBondContact O-N 2.98Å; G127-V130 PolarHBondContact O-N 3.18Å; V130-T132 VanDerWaalsContact C-N 3.29Å; V130-T132 PolarHBondContact O-N 3.47Å; V130-R133 PolarHBondContact O-N 3.49Å; V130-F134 WeakPolarHBondContact O-CB 3.28Å; V130-F134 PolarHBondContact O-N 2.79Å
131L98.9Very high98.6Very high0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-65.6-33.7-179.6-71.4177.1000112.4L45 F47 L107 M122 G127 Y129 F134 A135 L145L45-L131 HydrophobicContact CD2-CD2 4.02Å; F47-L131 HydrophobicContact CB-CD1 4.08Å; F47-L131 HydrophobicContact CB-CG 4.04Å; L107-L131 HydrophobicContact CD1-CD2 3.66Å; M122-L131 WeakPolarHBondContact O-CD1 3.47Å; G127-L131 WeakPolarHBondContact O-CB 3.44Å; G127-L131 WeakPolarHBondContact O-CG 3.46Å; G127-L131 PolarHBondContact O-N 2.92Å; Y129-L131 PolarHBondContact O-N 2.88Å; L131-F134 HydrophobicContact CD2-CD1 4.41Å; L131-F134 PolarHBondContact O-N 3.3Å; L131-A135 WeakPolarHBondContact O-CB 3.23Å; L131-A135 PolarHBondContact O-N 2.98Å; L131-L145 HydrophobicContact CB-CD2 4Å
132T98.8Very high98.6Very high0 Ų021.3 Ų21.30%011%0.111CC..Hα-helixtrans-67.1-45.2174.3-58.60000111A128 Y129 V130 F134 A135 L136 L147 I150 L222 L236A128-T132 VanDerWaalsContact O-CB 3.31Å; A128-T132 WeakPolarHBondContact O-CB 3.38Å; A128-T132 PolarHBondContact O-N 2.84Å; A128-T132 PolarHBondContact O-OG1 3.16Å; Y129-T132 PolarHBondContact O-N 3.28Å; V130-T132 VanDerWaalsContact C-N 3.29Å; V130-T132 PolarHBondContact O-N 3.47Å; T132-F134 PolarHBondContact O-N 3.39Å; T132-A135 PolarHBondContact O-N 3.32Å; T132-L136 HydrophobicContact CG2-CD1 4.3Å; T132-L136 VanDerWaalsContact O-CG 3.27Å; T132-L136 WeakPolarHBondContact O-CG 3.34Å; T132-L136 PolarHBondContact O-N 3.3Å; T132-L147 WeakPolarHBondContact OG1-CD1 3.48Å; T132-I150 HydrophobicContact CG2-CD1 4.33Å; T132-I150 WeakPolarHBondContact OG1-CD1 3.41Å; T132-L222 HydrophobicContact CG2-CD1 3.6Å; T132-L236 HydrophobicContact CG2-CD1 4.15Å; T132-L236 HydrophobicContact CG2-CD2 4.11Å; T132-L236 HydrophobicContact CG2-CG 4.34Å
133R98.6Very high98.5Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-59.3-47.4174177.46473.5-143.14.7111.1D101 A104 Y129 V130 A135 L136 D137 D221 L222D101-R133 IonicContact OD1-CZ 3.45Å; D101-R133 IonicContact OD1-NE 3.6Å; D101-R133 PolarHBondContact OD1-NE 3.16Å; D101-R133 IonicContact OD1-NH2 3.97Å; D101-R133 PolarHBondContact OD1-NH2 3.27Å; D101-R133 IonicContact OD2-NE 3.11Å; A104-R133 HydrophobicContact CB-CB 3.86Å; A104-R133 HydrophobicContact CB-CG 3.65Å; Y129-R133 PolarHBondContact O-N 3.2Å; Y129-R133 PolarHBondContact OH-NH2 3.44Å; V130-R133 PolarHBondContact O-N 3.49Å; R133-A135 VanDerWaalsContact C-N 3.33Å; R133-A135 PolarHBondContact O-N 3.35Å; R133-L136 WeakPolarHBondContact O-CB 3.17Å; R133-L136 PolarHBondContact O-N 2.7Å; R133-L136 VanDerWaalsContact O-N 3.13Å; R133-D137 WeakPolarHBondContact CD-OD2 3.3Å; R133-D137 PolarHBondContact O-N 3.23Å; R133-D137 VanDerWaalsContact O-N 3.08Å; R133-D221 PolarHBondContact NH2-O 3.01Å; R133-L222 HydrophobicContact CB-CD2 4.36Å
134F98.8Very high98.5Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-55.7-45.4176168.5-122.4000112.3A104 L107 P108 L111 V119 V130 L131 T132 L136 D137 Y138 M141 V142A104-F134 HydrophobicContact CB-CB 4.18Å; L107-F134 HydrophobicContact CB-CD1 4.31Å; L107-F134 HydrophobicContact CB-CD2 3.83Å; L107-F134 HydrophobicContact CB-CE1 4.4Å; L107-F134 HydrophobicContact CB-CE2 3.99Å; L107-F134 HydrophobicContact CB-CG 4.03Å; L107-F134 HydrophobicContact CB-CZ 4.27Å; L107-F134 HydrophobicContact CD1-CB 3.84Å; L107-F134 HydrophobicContact CD1-CD1 3.82Å; L107-F134 HydrophobicContact CD1-CD2 4.41Å; L107-F134 HydrophobicContact CD1-CE1 4.49Å; L107-F134 HydrophobicContact CD1-CG 3.77Å; L107-F134 HydrophobicContact CG-CG 4.48Å; P108-F134 HydrophobicContact CG-CD2 4.34Å; P108-F134 HydrophobicContact CG-CE2 3.92Å; L111-F134 HydrophobicContact CD1-CZ 4.26Å; L111-F134 HydrophobicContact CD2-CZ 4.18Å; V119-F134 HydrophobicContact CG2-CE1 3.95Å; V130-F134 WeakPolarHBondContact O-CB 3.28Å; V130-F134 PolarHBondContact O-N 2.79Å; L131-F134 HydrophobicContact CD2-CD1 4.41Å; L131-F134 PolarHBondContact O-N 3.3Å; T132-F134 PolarHBondContact O-N 3.39Å; F134-L136 VanDerWaalsContact C-N 3.34Å; F134-L136 PolarHBondContact O-N 3.3Å; F134-D137 PolarHBondContact O-N 3.44Å; F134-Y138 AromaticContact CD2-CD2 3.54Å; F134-Y138 HydrophobicContact CD2-CD2 3.54Å; F134-Y138 HydrophobicContact CD2-CE2 4.35Å; F134-Y138 HydrophobicContact CD2-CG 4.2Å; F134-Y138 AromaticContact CE2-CD2 3.84Å; F134-Y138 HydrophobicContact CE2-CD2 3.84Å; F134-Y138 HydrophobicContact CE2-CG 4.07Å; F134-Y138 PolarHBondContact O-N 3.15Å; F134-M141 HydrophobicContact CE2-CB 4.33Å; F134-M141 HydrophobicContact CE2-SD 4.21Å; F134-M141 HydrophobicContact CZ-CB 3.76Å; F134-M141 HydrophobicContact CZ-SD 4.35Å; F134-V142 HydrophobicContact CD1-CG2 3.56Å; F134-V142 HydrophobicContact CE1-CG2 3.29Å; F134-V142 HydrophobicContact CG-CG2 4.46Å; F134-V142 HydrophobicContact CZ-CG2 3.97Å
135A98.8Very high98.5Very high3 Ų324 Ų243%0.02512%0.123CC..Hα-helixtrans-70.4-27.9178.700000113.9L131 T132 R133 P139 V142 L145 L236L131-A135 WeakPolarHBondContact O-CB 3.23Å; L131-A135 PolarHBondContact O-N 2.98Å; T132-A135 PolarHBondContact O-N 3.32Å; R133-A135 VanDerWaalsContact C-N 3.33Å; R133-A135 PolarHBondContact O-N 3.35Å; A135-P139 VanDerWaalsContact O-CA 3.29Å; A135-P139 WeakPolarHBondContact O-CA 3.29Å; A135-V142 HydrophobicContact CB-CB 3.99Å; A135-V142 HydrophobicContact CB-CG1 3.96Å; A135-V142 HydrophobicContact CB-CG2 3.86Å; A135-L145 HydrophobicContact CB-CD1 3.68Å; A135-L145 HydrophobicContact CB-CG 4.42Å; A135-L236 HydrophobicContact CB-CD2 3.65Å
136L98.1Very high98.6Very high23 Ų2324 Ų2412%0.1212%0.123CC..Hα-helixtrans-70.1-36.7173.5-70.9168.5000111.7T132 R133 F134 L222 I224 R234 L236T132-L136 HydrophobicContact CG2-CD1 4.3Å; T132-L136 VanDerWaalsContact O-CG 3.27Å; T132-L136 WeakPolarHBondContact O-CG 3.34Å; T132-L136 PolarHBondContact O-N 3.3Å; R133-L136 WeakPolarHBondContact O-CB 3.17Å; R133-L136 PolarHBondContact O-N 2.7Å; R133-L136 VanDerWaalsContact O-N 3.13Å; F134-L136 VanDerWaalsContact C-N 3.34Å; F134-L136 PolarHBondContact O-N 3.3Å; L136-L222 HydrophobicContact CD1-CD2 4.44Å; L136-I224 HydrophobicContact CD1-CG2 3.62Å; L136-I224 HydrophobicContact CD2-CG2 3.79Å; L136-I224 HydrophobicContact CG-CG2 4.32Å; L136-R234 HydrophobicContact CD2-CG 4.26Å; L136-L236 HydrophobicContact CD2-CD2 4.16Å; L136-L236 HydrophobicContact CD2-CG 4.47Å; L136-L236 HydrophobicContact CG-CD2 4.18Å
137D98.1Very high98.6Very high64 Ų6424 Ų2434%0.34212%0.123SC..Hα-helixtrans-91.3-30.7-174-60.2-20.7000112.1R133 F134 P139 R234R133-D137 WeakPolarHBondContact CD-OD2 3.3Å; R133-D137 PolarHBondContact O-N 3.23Å; R133-D137 VanDerWaalsContact O-N 3.08Å; F134-D137 PolarHBondContact O-N 3.44Å; D137-P139 VanDerWaalsContact C-CD 3.44Å; D137-P139 WeakPolarHBondContact O-CD 3.43Å; D137-R234 IonicContact OD1-NH2 3.92Å; D137-R234 PolarHBondContact OD1-NH2 2.87Å
138Y98.3Very high98.6Very high82 Ų8224 Ų2432%0.32212%0.123SC..  trans-127.559.1-179.7-52.1-83.4000112.2P108 F134 N140 M141P108-Y138 HydrophobicContact CG-CD1 4.16Å; P108-Y138 HydrophobicContact CG-CD2 3.84Å; P108-Y138 HydrophobicContact CG-CE1 3.95Å; P108-Y138 HydrophobicContact CG-CE2 3.6Å; P108-Y138 HydrophobicContact CG-CG 4.09Å; F134-Y138 AromaticContact CD2-CD2 3.54Å; F134-Y138 HydrophobicContact CD2-CD2 3.54Å; F134-Y138 HydrophobicContact CD2-CE2 4.35Å; F134-Y138 HydrophobicContact CD2-CG 4.2Å; F134-Y138 AromaticContact CE2-CD2 3.84Å; F134-Y138 HydrophobicContact CE2-CD2 3.84Å; F134-Y138 HydrophobicContact CE2-CG 4.07Å; F134-Y138 PolarHBondContact O-N 3.15Å; Y138-N140 PolarHBondContact O-N 3.16Å; Y138-M141 HydrophobicContact CD1-SD 4.47Å; Y138-M141 HydrophobicContact CG-SD 4.42Å; Y138-M141 PolarHBondContact O-N 3.25Å
139P97.7Very high98.6Very high52 Ų5224.4 Ų24.434%0.33813%0.125SC..G310 helixtrans-60.7-23.4-172.224.4-35.6000114.3A135 D137 M141 K237A135-P139 VanDerWaalsContact O-CA 3.29Å; A135-P139 WeakPolarHBondContact O-CA 3.29Å; D137-P139 VanDerWaalsContact C-CD 3.44Å; D137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-M141 VanDerWaalsContact C-N 3.28Å; P139-M141 PolarHBondContact O-N 2.78Å; P139-K237 HydrophobicContact CB-CB 4.33Å; P139-K237 HydrophobicContact CB-CG 4.32Å
140N97.9Very high98.5Very high155 Ų15524.4 Ų24.483%0.82913%0.125SC*.G310 helixtrans-77-13.1178.2-62.4-29.1000113.5Y138Y138-N140 PolarHBondContact O-N 3.16Å
141M98.6Very high98.4Very high62 Ų6225.4 Ų25.431%0.30513%0.131SC..G310 helixtrans-96.6-3.8178.7-67-179.1170.800112.5P108 L111 S118 V119 F134 Y138 P139P108-M141 HydrophobicContact CB-SD 4.25Å; P108-M141 HydrophobicContact CG-SD 4.46Å; L111-M141 HydrophobicContact CD2-CB 3.84Å; L111-M141 HydrophobicContact CD2-CG 4.16Å; L111-M141 HydrophobicContact CD2-SD 4.14Å; S118-M141 CarbonylContact C-O 3.58Å; S118-M141 WeakPolarHBondContact CA-O 3.37Å; V119-M141 PolarHBondContact N-O 2.84Å; F134-M141 HydrophobicContact CE2-CB 4.33Å; F134-M141 HydrophobicContact CE2-SD 4.21Å; F134-M141 HydrophobicContact CZ-CB 3.76Å; F134-M141 HydrophobicContact CZ-SD 4.35Å; Y138-M141 HydrophobicContact CD1-SD 4.47Å; Y138-M141 HydrophobicContact CG-SD 4.42Å; Y138-M141 PolarHBondContact O-N 3.25Å; P139-M141 VanDerWaalsContact C-N 3.28Å; P139-M141 PolarHBondContact O-N 2.78Å
142V98.8Very high98.1Very high7 Ų725.5 Ų25.54%0.04213%0.131CC..EExtended strand (participates in β ladder)trans-125.8116.2-174.9-174.10000110V119 F134 A135 L145 C238V119-V142 HydrophobicContact CG2-CG2 4.43Å; F134-V142 HydrophobicContact CD1-CG2 3.56Å; F134-V142 HydrophobicContact CE1-CG2 3.29Å; F134-V142 HydrophobicContact CG-CG2 4.46Å; F134-V142 HydrophobicContact CZ-CG2 3.97Å; A135-V142 HydrophobicContact CB-CB 3.99Å; A135-V142 HydrophobicContact CB-CG1 3.96Å; A135-V142 HydrophobicContact CB-CG2 3.86Å; V142-L145 HydrophobicContact CG1-CD2 3.71Å; V142-L145 HydrophobicContact CG1-CG 3.86Å; V142-C238 WeakPolarHBondContact O-CB 3.37Å
143E98.6Very high97.6Very high57 Ų5726.2 Ų26.227%0.26614%0.136SC..EExtended strand (participates in β ladder)trans-90.1-26.5179.9-66.5-168.8-145.700113.2S118 V119 I120 P239 Y299S118-E143 WeakPolarHBondContact CB-OE1 3.16Å; S118-E143 PolarHBondContact OG-OE1 3.38Å; V119-E143 PolarHBondContact O-N 3.15Å; I120-E143 HydrophobicContact CG1-CB 4.48Å; E143-P239 WeakPolarHBondContact O-CD 3.29Å; E143-Y299 WeakPolarHBondContact OE2-CE2 3.48Å; E143-Y299 PolarHBondContact OE2-OH 2.87Å
144G98.8Very high96.7Very high0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-168.8158.7176.200000111.6I120 G121 P239I120-G144 CarbonylContact C-O 3.55Å; I120-G144 WeakPolarHBondContact CA-O 3.44Å; G121-G144 PolarHBondContact N-O 2.9Å; G144-P239 VanDerWaalsContact CA-O 3.27Å; G144-P239 WeakPolarHBondContact CA-O 3.48Å
145L98.9Very high95.1Very high0 Ų034.9 Ų34.90%018%0.184CC..EExtended strand (participates in β ladder)trans-128.4132.1177.5-67.9175.8000111.5G121 L131 A135 V142 L147 L236 P239 S240 L241 F293G121-L145 CarbonylContact O-C 3.55Å; G121-L145 WeakPolarHBondContact O-CA 3.33Å; L131-L145 HydrophobicContact CB-CD2 4Å; A135-L145 HydrophobicContact CB-CD1 3.68Å; A135-L145 HydrophobicContact CB-CG 4.42Å; V142-L145 HydrophobicContact CG1-CD2 3.71Å; V142-L145 HydrophobicContact CG1-CG 3.86Å; L145-L147 HydrophobicContact CB-CD1 4.27Å; L145-L147 HydrophobicContact CB-CD2 3.99Å; L145-L147 HydrophobicContact CB-CG 3.92Å; L145-L147 HydrophobicContact CD1-CD1 4.26Å; L145-L147 HydrophobicContact CD1-CD2 4.23Å; L145-L147 HydrophobicContact CG-CD2 4.49Å; L145-L236 HydrophobicContact CD1-CD1 4.02Å; L145-L236 HydrophobicContact CD1-CD2 3.89Å; L145-P239 PolarHBondContact N-O 3.16Å; L145-S240 CarbonylContact O-C 3.43Å; L145-S240 WeakPolarHBondContact O-CA 3.25Å; L145-L241 PolarHBondContact O-N 3.3Å; L145-F293 WeakPolarHBondContact O-CZ 3.28Å
146M98.9Very high93Very high0 Ų036.7 Ų36.70%020%0.203CC..EExtended strand (participates in β ladder)trans-103.5115.6158.8176.5178.3-87.100108.4G121 M122 G123 I148 L241 V243 L286 F290G121-M146 PolarHBondContact O-N 3.44Å; M122-M146 WeakPolarHBondContact CA-O 3.2Å; M122-M146 HydrophobicContact CE-SD 3.6Å; M122-M146 VanDerWaalsContact CE-SD 3.6Å; M122-M146 HydrophobicContact CG-CB 4.2Å; G123-M146 PolarHBondContact N-O 2.67Å; M146-I148 HydrophobicContact CG-CG1 4.2Å; M146-I148 HydrophobicContact SD-CD1 4.42Å; M146-L241 CarbonylContact C-O 3.56Å; M146-L241 WeakPolarHBondContact CA-O 3.23Å; M146-L241 HydrophobicContact CE-CD2 3.42Å; M146-L241 VanDerWaalsContact CE-CD2 3.42Å; M146-L241 HydrophobicContact CE-CG 4.27Å; M146-V243 HydrophobicContact CE-CG2 4.33Å; M146-V243 HydrophobicContact CG-CG2 4.1Å; M146-L286 HydrophobicContact CE-CD1 3.85Å; M146-L286 HydrophobicContact SD-CD1 3.87Å; M146-L286 HydrophobicContact SD-CG 4.38Å; M146-F290 HydrophobicContact CE-CB 3.62Å; M146-F290 HydrophobicContact CE-CD2 3.75Å; M146-F290 HydrophobicContact CE-CG 4.08Å; M146-F290 HydrophobicContact SD-CD2 4.24Å
147L98.9Very high91.1Very high0 Ų038.5 Ų38.50%021%0.209CC..EExtended strand (participates in β ladder)trans-116.2101-172.2-57.8175.5000109.1A128 T132 L145 I150 L236 L241 L242 V243A128-L147 HydrophobicContact CB-CB 4.22Å; A128-L147 HydrophobicContact CB-CD2 3.96Å; T132-L147 WeakPolarHBondContact OG1-CD1 3.48Å; L145-L147 HydrophobicContact CB-CD1 4.27Å; L145-L147 HydrophobicContact CB-CD2 3.99Å; L145-L147 HydrophobicContact CB-CG 3.92Å; L145-L147 HydrophobicContact CD1-CD1 4.26Å; L145-L147 HydrophobicContact CD1-CD2 4.23Å; L145-L147 HydrophobicContact CG-CD2 4.49Å; L147-I150 HydrophobicContact CB-CB 4.23Å; L147-I150 HydrophobicContact CB-CG2 4.11Å; L147-I150 HydrophobicContact CD1-CD1 3.9Å; L147-L236 HydrophobicContact CD1-CD1 4.31Å; L147-L241 PolarHBondContact N-O 3.3Å; L147-L242 HydrophobicContact CB-CD2 3.82Å; L147-L242 HydrophobicContact CD1-CD2 3.76Å; L147-L242 HydrophobicContact CG-CD2 4.3Å; L147-L242 WeakPolarHBondContact O-CA 3.47Å; L147-V243 PolarHBondContact O-N 2.81Å
148I98.9Very high88.7Confident0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-91.5128.5-179.7-48-177.4000108.4W58 G123 I124 G125 M146 I150 V243 P278 Q279 L286W58-I148 HydrophobicContact CH2-CD1 4.19Å; W58-I148 HydrophobicContact CZ3-CD1 4.17Å; G123-I148 PolarHBondContact O-N 3.09Å; I124-I148 CarbonylContact C-O 3.53Å; I124-I148 VanDerWaalsContact CA-O 3.28Å; I124-I148 WeakPolarHBondContact CA-O 3.47Å; I124-I148 HydrophobicContact CB-CB 4.33Å; I124-I148 HydrophobicContact CD1-CB 4.38Å; I124-I148 HydrophobicContact CD1-CD1 3.92Å; I124-I148 HydrophobicContact CG1-CB 3.98Å; I124-I148 HydrophobicContact CG1-CD1 4.07Å; I124-I148 HydrophobicContact CG1-CG1 4.35Å; I124-I148 HydrophobicContact CG2-CB 4.17Å; I124-I148 HydrophobicContact CG2-CG2 4.2Å; G125-I148 PolarHBondContact N-O 2.98Å; M146-I148 HydrophobicContact CG-CG1 4.2Å; M146-I148 HydrophobicContact SD-CD1 4.42Å; I148-I150 PolarHBondContact O-N 3.15Å; I148-I150 VanDerWaalsContact O-N 3.1Å; I148-V243 WeakPolarHBondContact CA-O 3.42Å; I148-V243 HydrophobicContact CG1-CB 4.18Å; I148-P278 HydrophobicContact CG2-CG 3.95Å; I148-Q279 HydrophobicContact CD1-CB 4.48Å; I148-L286 HydrophobicContact CD1-CD2 3.81Å
149N98.4Very high86.5Confident7 Ų746.2 Ų46.24%0.03725%0.252CS..SBendtrans52.233.9177.3-60.1-27.5000114.7N151 V243 S248 A250 G276N149-N151 PolarHBondContact O-N 2.94Å; N149-V243 PolarHBondContact N-O 3.11Å; N149-S248 PolarHBondContact OD1-OG 2.9Å; N149-S248 VanDerWaalsContact OD1-OG 3.09Å; N149-A250 HydrophobicContact CB-CB 3.66Å; N149-G276 PolarHBondContact ND2-O 3.19Å
150I98Very high84.3Confident0 Ų047.6 Ų47.60%025%0.251CS..  trans-62.5133.1177.8-175.8164.8000111.4A128 T132 L147 I148 L222 L242 A253 V254 C257A128-I150 HydrophobicContact CB-CB 3.79Å; A128-I150 HydrophobicContact CB-CD1 4.36Å; A128-I150 HydrophobicContact CB-CG1 4.15Å; T132-I150 HydrophobicContact CG2-CD1 4.33Å; T132-I150 WeakPolarHBondContact OG1-CD1 3.41Å; L147-I150 HydrophobicContact CB-CB 4.23Å; L147-I150 HydrophobicContact CB-CG2 4.11Å; L147-I150 HydrophobicContact CD1-CD1 3.9Å; I148-I150 PolarHBondContact O-N 3.15Å; I148-I150 VanDerWaalsContact O-N 3.1Å; I150-L222 HydrophobicContact CD1-CD1 4.16Å; I150-L242 HydrophobicContact CG2-CD2 4.1Å; I150-A253 CarbonylContact O-C 3.6Å; I150-V254 HydrophobicContact CG2-CG2 4.19Å; I150-V254 WeakPolarHBondContact O-CG2 3.43Å; I150-C257 HydrophobicContact CG2-CB 4.02Å
151N95.7Very high81.6Confident22 Ų2243.6 Ų43.612%0.11824%0.239CC..  trans-114.4109.5164.3-173-15.4000109.7N149 C153 R219 A253N149-N151 PolarHBondContact O-N 2.94Å; N151-C153 VanDerWaalsContact C-N 3.26Å; N151-C153 PolarHBondContact O-N 3.24Å; N151-C153 PolarHBondContact OD1-N 3.15Å; N151-C153 PolarHBondContact OD1-O 3.42Å; N151-R219 PolarHBondContact ND2-NH2 2.92Å; N151-A253 HydrophobicContact CB-CB 3.87Å
152P92.9Very high79.1Confident1 Ų144 Ų441%0.00625%0.253CS..  trans-80.4-5.8-178.235.8-37.7000113.3D221 L222 I224 C257P152-D221 CarbonylContact O-C 3.55Å; P152-D221 WeakPolarHBondContact O-CA 3.14Å; P152-L222 HydrophobicContact CB-CB 4.11Å; P152-L222 HydrophobicContact CB-CD1 3.97Å; P152-L222 HydrophobicContact CB-CG 4.36Å; P152-L222 PolarHBondContact O-N 3.06Å; P152-I224 HydrophobicContact CB-CD1 4.42Å; P152-C257 HydrophobicContact CB-CB 4.44Å; P152-C257 HydrophobicContact CG-CB 3.78Å
153C88.4Confident76.6Confident16 Ų1651.7 Ų51.711%0.10829%0.287CS..SBendtrans-112.5146.5-172.3-69.80000111.6N151 E155 R219 D221 K260N151-C153 VanDerWaalsContact C-N 3.26Å; N151-C153 PolarHBondContact O-N 3.24Å; N151-C153 PolarHBondContact OD1-N 3.15Å; N151-C153 PolarHBondContact OD1-O 3.42Å; C153-E155 HydrophobicContact CB-CG 4.34Å; C153-E155 PolarHBondContact O-N 2.91Å; C153-E155 VanDerWaalsContact O-N 3.07Å; C153-R219 PolarHBondContact O-NE 3.4Å; C153-R219 PolarHBondContact O-NH2 2.87Å; C153-D221 WeakPolarHBondContact CA-OD1 3.35Å; C153-K260 PolarHBondContact SG-NZ 2.97Å
154A78.6Confident74.1Confident43 Ų4354 Ų5436%0.35530%0.297SS..  trans-80.356169.500000110G156 R219 D221A154-G156 PolarHBondContact O-N 3.23Å; A154-R219 WeakPolarHBondContact CB-O 3.33Å; A154-D221 VanDerWaalsContact CB-OD1 3.3Å; A154-D221 WeakPolarHBondContact CB-OD1 3.4Å; A154-D221 PolarHBondContact N-OD1 3.49Å
155E65.6Low71.6Confident138 Ų13862.3 Ų62.365%0.64534%0.339SS*.  trans-76.1107.1165.1-71.4-172.9169.600107.5C153 W157C153-E155 HydrophobicContact CB-CG 4.34Å; C153-E155 PolarHBondContact O-N 2.91Å; C153-E155 VanDerWaalsContact O-N 3.07Å; E155-W157 PolarHBondContact O-N 2.83Å
156G54.3Low68.9Low42 Ų4266.9 Ų66.943%0.43337%0.371SS..  trans-63.1132.9178.100000110.2A154 M158A154-G156 PolarHBondContact O-N 3.23Å; G156-M158 PolarHBondContact O-N 3.5Å
157W58.2Low66.7Low61 Ų6168.8 Ų68.823%0.23139%0.391CS..THydrogen-bonded Turntrans-7020.9171.7-63-4.7000113I50 E155 D159 W160 M175 H179 Y216 E217I50-W157 HydrophobicContact CD1-CH2 3.43Å; I50-W157 VanDerWaalsContact CD1-CH2 3.43Å; I50-W157 HydrophobicContact CD1-CZ3 3.59Å; E155-W157 PolarHBondContact O-N 2.83Å; W157-D159 PolarHBondContact O-N 2.9Å; W157-D159 VanDerWaalsContact O-N 3.14Å; W157-W160 PolarHBondContact O-N 3.27Å; W157-M175 HydrophobicContact CE3-CE 4.34Å; W157-M175 HydrophobicContact CE3-CG 3.78Å; W157-M175 HydrophobicContact CE3-SD 3.37Å; W157-M175 HydrophobicContact CH2-SD 4.28Å; W157-M175 HydrophobicContact CZ3-CE 4.17Å; W157-M175 HydrophobicContact CZ3-CG 4.11Å; W157-M175 HydrophobicContact CZ3-SD 3.11Å; W157-M175 WeakPolarHBondContact CZ3-SD 3.05Å; W157-H179 HydrophobicContact CH2-CB 3.41Å; W157-H179 VanDerWaalsContact CH2-CB 3.41Å; W157-H179 AromaticContact CH2-CD2 3.84Å; W157-H179 AromaticContact CH2-CE1 3.82Å; W157-H179 AromaticContact CH2-CG 3.14Å; W157-H179 AromaticContact CH2-ND1 3.16Å; W157-H179 WeakPolarHBondContact CH2-ND1 3.41Å; W157-H179 HydrophobicContact CZ2-CB 3.93Å; W157-H179 AromaticContact CZ2-CE1 3.73Å; W157-H179 AromaticContact CZ2-CG 3.55Å; W157-H179 AromaticContact CZ2-ND1 3.02Å; W157-H179 WeakPolarHBondContact CZ2-ND1 3.29Å; W157-H179 HydrophobicContact CZ3-CB 3.99Å; W157-Y216 HydrophobicContact CH2-CD1 4.24Å; W157-Y216 HydrophobicContact CH2-CE1 4.08Å; W157-Y216 HydrophobicContact CZ2-CD1 4.42Å; W157-Y216 AromaticContact CZ2-CE1 3.93Å; W157-Y216 HydrophobicContact CZ2-CE1 3.93Å; W157-E217 HydrophobicContact CE3-CG 4.21Å
158M47.8Very low64.8Low153 Ų15379.5 Ų79.575%0.75443%0.432SS*.Hα-helixtrans-62-25.3-170.5-70.1-171.2-166.300113G156 W160 A161G156-M158 PolarHBondContact O-N 3.5Å; M158-W160 PolarHBondContact O-N 3.29Å; M158-A161 PolarHBondContact O-N 2.92Å
159D52.5Low63Low154 Ų15482.9 Ų82.982%0.82445%0.453SS*.Hα-helixtrans-62.2-22.4176.3-77.3-8.7000112.9W157W157-D159 PolarHBondContact O-N 2.9Å; W157-D159 VanDerWaalsContact O-N 3.14Å
160W51.4Low61.9Low82 Ų8288 Ų8831%0.31148%0.476SS..Hα-helixtrans-87-35.5-179.7176.292.9000113.5W157 M158 A162 H163 K164 A171 M175W157-W160 PolarHBondContact O-N 3.27Å; M158-W160 PolarHBondContact O-N 3.29Å; W160-A162 PolarHBondContact O-N 3.5Å; W160-H163 PolarHBondContact O-N 3.46Å; W160-K164 HydrophobicContact CZ2-CD 4.42Å; W160-A171 HydrophobicContact CH2-CB 3.5Å; W160-A171 WeakPolarHBondContact CH2-O 3.37Å; W160-A171 HydrophobicContact CZ2-CB 3.95Å; W160-A171 WeakPolarHBondContact CZ2-O 3.4Å; W160-M175 HydrophobicContact CD2-CB 4.16Å; W160-M175 HydrophobicContact CD2-CG 4.46Å; W160-M175 HydrophobicContact CE3-CB 4.14Å; W160-M175 HydrophobicContact CE3-CG 4.25Å; W160-M175 HydrophobicContact CH2-CB 3.75Å; W160-M175 HydrophobicContact CZ2-CB 3.76Å; W160-M175 HydrophobicContact CZ3-CB 3.94Å; W160-M175 HydrophobicContact CZ3-CG 4.31Å
161A41Very low61.1Low71 Ų7188.6 Ų88.659%0.58748%0.481SS*.Hα-helixtrans-66.7-19.7-178.700000113.3M158 H163M158-A161 PolarHBondContact O-N 2.92Å; A161-H163 PolarHBondContact O-N 3.08Å
162A46.5Very low60.6Low71 Ų7188.9 Ų88.959%0.58748%0.481SS*.THydrogen-bonded Turntrans-67.3-15.6179.500000114W160W160-A162 PolarHBondContact O-N 3.5Å
163H45.3Very low60.6Low167 Ų16789.2 Ų89.277%0.77348%0.483SS*.SBendtrans-128.43.8-165.8-82-65.8000119W160 A161W160-H163 PolarHBondContact O-N 3.46Å; A161-H163 PolarHBondContact O-N 3.08Å
164K47.5Very low60.7Low106 Ų10690.6 Ų90.646%0.46149%0.489SS..  trans-131.698.6176.1-89-178.1171.6179.70113.2W160 D174W160-K164 HydrophobicContact CZ2-CD 4.42Å; K164-D174 IonicContact NZ-OD2 3.8Å; K164-D174 PolarHBondContact NZ-OD2 3.11Å
165I46.7Very low61.2Low175 Ų17588.9 Ų88.990%0.89747%0.474SS*.  trans-103.544.6177.2-43.6177.8000111.3
166S40.4Very low62.7Low95 Ų9582.3 Ų82.366%0.66444%0.444SS*.SBendtrans-144.8114.9171.862.80000112
167G54.5Low64.6Low41 Ų4180.4 Ų80.442%0.42342%0.423SS..  trans74.789.4173.700000113.8T169 H170 A171G167-T169 PolarHBondContact O-N 3.4Å; G167-T169 VanDerWaalsContact O-N 3.15Å; G167-H170 PolarHBondContact O-N 3.18Å; G167-H170 VanDerWaalsContact O-N 3.08Å; G167-A171 PolarHBondContact O-N 3.26Å
168W57.3Low66.4Low224 Ų22480.9 Ų80.985%0.84843%0.433SS*.Hα-helixtrans-49.5-40.9-178.8-92.434.1000113.8E172W168-E172 PolarHBondContact O-N 2.72Å; W168-E172 VanDerWaalsContact O-N 3.11Å
169T62.9Low68.6Low72 Ų7275.1 Ų75.144%0.44240%0.404SS..Hα-helixtrans-70.3-39.2179.951.70000113.4G167 L173G167-T169 PolarHBondContact O-N 3.4Å; G167-T169 VanDerWaalsContact O-N 3.15Å; T169-L173 WeakPolarHBondContact O-CB 3.28Å; T169-L173 PolarHBondContact O-N 3Å
170H75.3Confident70.7Confident115 Ų11567.9 Ų67.953%0.53237%0.365SS..Hα-helixtrans-72.8-34.2178.3-76.8-65.7000112.2G167 D174G167-H170 PolarHBondContact O-N 3.18Å; G167-H170 VanDerWaalsContact O-N 3.08Å; H170-D174 WeakPolarHBondContact O-CB 3.34Å; H170-D174 PolarHBondContact O-N 2.73Å
171A80.8Confident72.8Confident12 Ų1264 Ų6410%0.09935%0.351CS..Hα-helixtrans-64.5-52.6175.200000109.9W160 G167 L173 D174 M175W160-A171 HydrophobicContact CH2-CB 3.5Å; W160-A171 WeakPolarHBondContact CH2-O 3.37Å; W160-A171 HydrophobicContact CZ2-CB 3.95Å; W160-A171 WeakPolarHBondContact CZ2-O 3.4Å; G167-A171 PolarHBondContact O-N 3.26Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 2.95Å; A171-D174 PolarHBondContact O-N 2.81Å; A171-M175 PolarHBondContact O-N 3.23Å
172E85.3Confident75.3Confident28 Ų2861 Ų6113%0.13133%0.326CS..Hα-helixtrans-60.4-41.5179.3-175.9166.5-11600112.5W168 M175 I176 H210W168-E172 PolarHBondContact O-N 2.72Å; W168-E172 VanDerWaalsContact O-N 3.11Å; E172-M175 HydrophobicContact CG-CE 4Å; E172-M175 WeakPolarHBondContact O-CB 3.34Å; E172-M175 PolarHBondContact O-N 2.85Å; E172-I176 HydrophobicContact CG-CD1 4.1Å; E172-I176 WeakPolarHBondContact O-CG1 3.25Å; E172-I176 PolarHBondContact O-N 3.03Å; E172-H210 WeakPolarHBondContact OE1-CA 3.4Å; E172-H210 IonicContact OE1-CE1 3.83Å; E172-H210 IonicContact OE1-CG 2.78Å; E172-H210 IonicContact OE1-ND1 3.16Å; E172-H210 PolarHBondContact OE1-ND1 3.43Å; E172-H210 IonicContact OE2-ND1 3.56Å
173L91.7Very high77.4Confident8 Ų865.7 Ų65.74%0.04233%0.333CS..Hα-helixtrans-57.2-50.9173173.866.1000112.4T169 A171 M175 I176 I177 R197 I200 L201T169-L173 WeakPolarHBondContact O-CB 3.28Å; T169-L173 PolarHBondContact O-N 3Å; A171-L173 VanDerWaalsContact C-N 3.34Å; A171-L173 PolarHBondContact O-N 2.95Å; L173-M175 VanDerWaalsContact C-N 3.26Å; L173-M175 PolarHBondContact O-N 3.03Å; L173-I176 PolarHBondContact O-N 2.81Å; L173-I177 HydrophobicContact CD1-CG1 4.18Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.81Å; L173-R197 HydrophobicContact CD1-CB 4.5Å; L173-R197 HydrophobicContact CD1-CG 4.24Å; L173-R197 HydrophobicContact CD2-CG 4.26Å; L173-R197 HydrophobicContact CG-CG 4.45Å; L173-I200 HydrophobicContact CD1-CB 3.68Å; L173-I200 HydrophobicContact CD1-CD1 3.79Å; L173-I200 HydrophobicContact CD1-CG1 4.35Å; L173-I200 HydrophobicContact CD1-CG2 3.53Å; L173-L201 HydrophobicContact CD1-CG 4.43Å; L173-L201 HydrophobicContact CD2-CD1 3.73Å; L173-L201 HydrophobicContact CD2-CD2 4.03Å; L173-L201 HydrophobicContact CD2-CG 3.83Å
174D90.4Very high79.5Confident45 Ų4563.6 Ų63.624%0.24132%0.324CS..Hα-helixtrans-59.4-41.8179.9-84-13000110.9K164 H170 A171 I177 T178K164-D174 IonicContact NZ-OD2 3.8Å; K164-D174 PolarHBondContact NZ-OD2 3.11Å; H170-D174 WeakPolarHBondContact O-CB 3.34Å; H170-D174 PolarHBondContact O-N 2.73Å; A171-D174 PolarHBondContact O-N 2.81Å; D174-I177 PolarHBondContact O-N 3.45Å; D174-T178 WeakPolarHBondContact O-CG2 3.34Å; D174-T178 PolarHBondContact O-N 3.41Å; D174-T178 PolarHBondContact O-OG1 3.35Å; D174-T178 VanDerWaalsContact O-OG1 3.11Å
175M90.9Very high81.7Confident7 Ų759.6 Ų59.63%0.03431%0.307CS..Hα-helixtrans-59.6-49.8176.6171-76.8-80.900110.7W157 W160 A171 E172 L173 I177 T178 H179 V213W157-M175 HydrophobicContact CE3-CE 4.34Å; W157-M175 HydrophobicContact CE3-CG 3.78Å; W157-M175 HydrophobicContact CE3-SD 3.37Å; W157-M175 HydrophobicContact CH2-SD 4.28Å; W157-M175 HydrophobicContact CZ3-CE 4.17Å; W157-M175 HydrophobicContact CZ3-CG 4.11Å; W157-M175 HydrophobicContact CZ3-SD 3.11Å; W157-M175 WeakPolarHBondContact CZ3-SD 3.05Å; W160-M175 HydrophobicContact CD2-CB 4.16Å; W160-M175 HydrophobicContact CD2-CG 4.46Å; W160-M175 HydrophobicContact CE3-CB 4.14Å; W160-M175 HydrophobicContact CE3-CG 4.25Å; W160-M175 HydrophobicContact CH2-CB 3.75Å; W160-M175 HydrophobicContact CZ2-CB 3.76Å; W160-M175 HydrophobicContact CZ3-CB 3.94Å; W160-M175 HydrophobicContact CZ3-CG 4.31Å; A171-M175 PolarHBondContact O-N 3.23Å; E172-M175 HydrophobicContact CG-CE 4Å; E172-M175 WeakPolarHBondContact O-CB 3.34Å; E172-M175 PolarHBondContact O-N 2.85Å; L173-M175 VanDerWaalsContact C-N 3.26Å; L173-M175 PolarHBondContact O-N 3.03Å; M175-I177 VanDerWaalsContact C-N 3.32Å; M175-I177 PolarHBondContact O-N 3.06Å; M175-T178 WeakPolarHBondContact CA-OG1 3.33Å; M175-T178 PolarHBondContact O-N 3.21Å; M175-T178 VanDerWaalsContact O-N 3.14Å; M175-T178 PolarHBondContact O-OG1 3.38Å; M175-H179 PolarHBondContact O-N 3.19Å; M175-V213 HydrophobicContact CE-CB 4.49Å; M175-V213 HydrophobicContact CE-CG1 3.3Å; M175-V213 HydrophobicContact CE-CG2 4.4Å
176I95Very high83.9Confident0 Ų052.4 Ų52.40%027%0.27CS..Hα-helixtrans-61.1-43.1179.5-68168.8000110.2I50 E172 L173 T178 H179 L180 I200 L209 V213I50-I176 HydrophobicContact CD1-CG1 4.4Å; E172-I176 HydrophobicContact CG-CD1 4.1Å; E172-I176 WeakPolarHBondContact O-CG1 3.25Å; E172-I176 PolarHBondContact O-N 3.03Å; L173-I176 PolarHBondContact O-N 2.81Å; I176-T178 VanDerWaalsContact C-N 3.33Å; I176-T178 PolarHBondContact O-N 2.87Å; I176-H179 WeakPolarHBondContact O-CB 3.22Å; I176-H179 PolarHBondContact O-N 2.95Å; I176-L180 HydrophobicContact CG2-CD1 3.87Å; I176-L180 HydrophobicContact CG2-CG 4.31Å; I176-L180 WeakPolarHBondContact O-CG 3.36Å; I176-L180 PolarHBondContact O-N 3.27Å; I176-I200 HydrophobicContact CB-CD1 4.36Å; I176-I200 HydrophobicContact CD1-CG2 4.4Å; I176-I200 HydrophobicContact CG2-CD1 3.6Å; I176-I200 HydrophobicContact CG2-CG1 4.45Å; I176-L209 HydrophobicContact CD1-CD1 4.16Å; I176-L209 HydrophobicContact CD1-CD2 3.82Å; I176-L209 HydrophobicContact CD1-CG 4.14Å; I176-V213 HydrophobicContact CD1-CG2 4Å; I176-V213 HydrophobicContact CG1-CG2 4.28Å
177I96.1Very high86.4Confident1 Ų153.8 Ų53.81%0.00527%0.266CS..Hα-helixtrans-61.6-41.7177.3-69.1-66000111.2L173 D174 M175 H179 L180 F181 I186 I193 F196 R197 I200L173-I177 HydrophobicContact CD1-CG1 4.18Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.81Å; D174-I177 PolarHBondContact O-N 3.45Å; M175-I177 VanDerWaalsContact C-N 3.32Å; M175-I177 PolarHBondContact O-N 3.06Å; I177-H179 VanDerWaalsContact C-N 3.3Å; I177-H179 PolarHBondContact O-N 3.41Å; I177-L180 PolarHBondContact O-N 3.17Å; I177-F181 HydrophobicContact CD1-CD2 4.32Å; I177-F181 HydrophobicContact CD1-CE2 4.21Å; I177-F181 HydrophobicContact CG2-CD2 4.29Å; I177-F181 PolarHBondContact O-N 3.27Å; I177-I186 HydrophobicContact CG2-CD1 4.01Å; I177-I186 HydrophobicContact CG2-CG1 4.05Å; I177-I193 HydrophobicContact CG2-CG2 4.04Å; I177-F196 HydrophobicContact CD1-CB 4.07Å; I177-R197 HydrophobicContact CD1-CG 3.79Å; I177-R197 HydrophobicContact CG1-CG 3.86Å; I177-I200 HydrophobicContact CD1-CD1 3.88Å; I177-I200 HydrophobicContact CG1-CD1 4.36Å
178T94.1Very high88.2Confident71 Ų7158.5 Ų58.544%0.43628%0.276SS..Hα-helixtrans-73.3-21.2177.254.30000114.2D174 M175 I176 I186D174-T178 WeakPolarHBondContact O-CG2 3.34Å; D174-T178 PolarHBondContact O-N 3.41Å; D174-T178 PolarHBondContact O-OG1 3.35Å; D174-T178 VanDerWaalsContact O-OG1 3.11Å; M175-T178 WeakPolarHBondContact CA-OG1 3.33Å; M175-T178 PolarHBondContact O-N 3.21Å; M175-T178 VanDerWaalsContact O-N 3.14Å; M175-T178 PolarHBondContact O-OG1 3.38Å; I176-T178 VanDerWaalsContact C-N 3.33Å; I176-T178 PolarHBondContact O-N 2.87Å; T178-I186 HydrophobicContact CG2-CD1 3.98Å
179H94.8Very high89.9Confident32 Ų3250.9 Ų50.915%0.14825%0.252CS..Hα-helixtrans-73.5-43.6169.3166.466.6000111.3D49 W157 M175 I176 I177 P249D49-H179 VanDerWaalsContact CG-NE2 3.33Å; D49-H179 IonicContact OD1-NE2 3.75Å; D49-H179 PolarHBondContact OD1-NE2 3.32Å; D49-H179 IonicContact OD2-CD2 2.94Å; D49-H179 IonicContact OD2-CE1 2.81Å; D49-H179 IonicContact OD2-NE2 2.75Å; D49-H179 PolarHBondContact OD2-NE2 3.3Å; W157-H179 HydrophobicContact CH2-CB 3.41Å; W157-H179 VanDerWaalsContact CH2-CB 3.41Å; W157-H179 AromaticContact CH2-CD2 3.84Å; W157-H179 AromaticContact CH2-CE1 3.82Å; W157-H179 AromaticContact CH2-CG 3.14Å; W157-H179 AromaticContact CH2-ND1 3.16Å; W157-H179 WeakPolarHBondContact CH2-ND1 3.41Å; W157-H179 HydrophobicContact CZ2-CB 3.93Å; W157-H179 AromaticContact CZ2-CE1 3.73Å; W157-H179 AromaticContact CZ2-CG 3.55Å; W157-H179 AromaticContact CZ2-ND1 3.02Å; W157-H179 WeakPolarHBondContact CZ2-ND1 3.29Å; W157-H179 HydrophobicContact CZ3-CB 3.99Å; M175-H179 PolarHBondContact O-N 3.19Å; I176-H179 WeakPolarHBondContact O-CB 3.22Å; I176-H179 PolarHBondContact O-N 2.95Å; I177-H179 VanDerWaalsContact C-N 3.3Å; I177-H179 PolarHBondContact O-N 3.41Å; H179-P249 WeakPolarHBondContact O-CG 3.42Å
180L96.4Very high91.3Very high2 Ų253.3 Ų53.31%0.0126%0.259CS..Hα-helixtrans-78.1-33-176.2-67176.1000113.2D49 L52 I176 I177 G276 M277D49-L180 HydrophobicContact CB-CD2 4.18Å; L52-L180 HydrophobicContact CD1-CD2 4.21Å; L52-L180 HydrophobicContact CD2-CD1 4.14Å; L52-L180 HydrophobicContact CG-CD1 4.32Å; I176-L180 HydrophobicContact CG2-CD1 3.87Å; I176-L180 HydrophobicContact CG2-CG 4.31Å; I176-L180 WeakPolarHBondContact O-CG 3.36Å; I176-L180 PolarHBondContact O-N 3.27Å; I177-L180 PolarHBondContact O-N 3.17Å; L180-G276 CarbonylContact O-C 3.05Å; L180-G276 WeakPolarHBondContact O-CA 3.49Å; L180-M277 HydrophobicContact CD2-SD 4.26Å
181F96.8Very high92.3Very high2 Ų254.2 Ų54.21%0.00927%0.267CS..SBendtrans-128.1145.4-168.7-58.7-74.5000113.2I177 E185 I186 L192 I193 F196 M277I177-F181 HydrophobicContact CD1-CD2 4.32Å; I177-F181 HydrophobicContact CD1-CE2 4.21Å; I177-F181 HydrophobicContact CG2-CD2 4.29Å; I177-F181 PolarHBondContact O-N 3.27Å; F181-E185 HydrophobicContact CD1-CG 4.38Å; F181-E185 WeakPolarHBondContact CD1-OE1 3.49Å; F181-E185 WeakPolarHBondContact CD1-OE2 3.41Å; F181-I186 HydrophobicContact CB-CD1 4.16Å; F181-I186 HydrophobicContact CB-CG1 3.74Å; F181-I186 WeakPolarHBondContact O-CD1 3.2Å; F181-L192 HydrophobicContact CE1-CD2 4.06Å; F181-L192 HydrophobicContact CE1-CG 4.44Å; F181-I193 HydrophobicContact CB-CD1 3.8Å; F181-I193 HydrophobicContact CD1-CD1 3.94Å; F181-I193 HydrophobicContact CD2-CD1 3.56Å; F181-I193 HydrophobicContact CE1-CD1 4.42Å; F181-I193 HydrophobicContact CE2-CD1 4.11Å; F181-I193 HydrophobicContact CG-CD1 3.47Å; F181-I193 VanDerWaalsContact CG-CD1 3.47Å; F181-F196 HydrophobicContact CE1-CD2 4.38Å; F181-F196 HydrophobicContact CE1-CE2 4.44Å; F181-F196 HydrophobicContact CE2-CB 3.9Å; F181-F196 HydrophobicContact CE2-CD1 4.28Å; F181-F196 HydrophobicContact CE2-CD2 4.06Å; F181-F196 AromaticContact CE2-CG 3.81Å; F181-F196 HydrophobicContact CE2-CG 3.81Å; F181-F196 HydrophobicContact CZ-CB 4.17Å; F181-F196 HydrophobicContact CZ-CD1 4.03Å; F181-F196 AromaticContact CZ-CD2 3.43Å; F181-F196 HydrophobicContact CZ-CD2 3.43Å; F181-F196 VanDerWaalsContact CZ-CD2 3.43Å; F181-F196 HydrophobicContact CZ-CE1 4.3Å; F181-F196 AromaticContact CZ-CE2 3.74Å; F181-F196 HydrophobicContact CZ-CE2 3.74Å; F181-F196 AromaticContact CZ-CG 3.59Å; F181-F196 HydrophobicContact CZ-CG 3.59Å; F181-F196 HydrophobicContact CZ-CZ 4.17Å; F181-M277 HydrophobicContact CD1-CG 4.23Å; F181-M277 HydrophobicContact CE1-CB 4.17Å; F181-M277 HydrophobicContact CE1-CG 3.52Å; F181-M277 HydrophobicContact CZ-CG 3.89Å
182G91.8Very high92.9Very high6 Ų655 Ų556%0.06227%0.27CS..  trans-69.7155.117600000112.2E184 E185 I186G182-E184 VanDerWaalsContact C-N 3.33Å; G182-E184 PolarHBondContact O-N 2.94Å; G182-E185 WeakPolarHBondContact O-CB 3.35Å; G182-E185 PolarHBondContact O-N 3.35Å; G182-E185 VanDerWaalsContact O-N 3.16Å; G182-I186 WeakPolarHBondContact O-CG1 3.39Å; G182-I186 PolarHBondContact O-N 3.33Å
183K90.4Very high93.4Very high170 Ų17053.7 Ų53.774%0.73926%0.264SS*.Hα-helixtrans-55.5-46-179.5-69.3-179.4-177.8173.50112.3E185 I186 H187K183-E185 VanDerWaalsContact C-N 3.34Å; K183-E185 PolarHBondContact O-N 2.98Å; K183-I186 PolarHBondContact O-N 2.94Å; K183-H187 PolarHBondContact O-N 3.25Å; K183-H187 PolarHBondContact O-ND1 3.13Å
184E90.9Very high93.6Very high123 Ų12355.8 Ų55.858%0.57528%0.282SS*.Hα-helixtrans-63.4-41.3-179.9-63.7-54.5130.300111.8G182 I186 H187 H188G182-E184 VanDerWaalsContact C-N 3.33Å; G182-E184 PolarHBondContact O-N 2.94Å; E184-I186 PolarHBondContact O-N 2.72Å; E184-H187 PolarHBondContact O-N 3.23Å; E184-H188 WeakPolarHBondContact O-CB 3.27Å; E184-H188 PolarHBondContact O-N 3.32Å; E184-H188 PolarHBondContact O-ND1 3.46Å; E184-H188 IonicContact OE2-CE1 3.74Å; E184-H188 PolarHBondContact OE2-CE1 3.39Å; E184-H188 IonicContact OE2-ND1 3.9Å
185E92.4Very high93.9Very high22 Ų2258 Ų5810%0.10330%0.297CS..Hα-helixtrans-63.5-42.2177.9-173177.2-167.800111.7F181 G182 K183 H187 H188 N189 L192 G275 G276F181-E185 HydrophobicContact CD1-CG 4.38Å; F181-E185 WeakPolarHBondContact CD1-OE1 3.49Å; F181-E185 WeakPolarHBondContact CD1-OE2 3.41Å; G182-E185 WeakPolarHBondContact O-CB 3.35Å; G182-E185 PolarHBondContact O-N 3.35Å; G182-E185 VanDerWaalsContact O-N 3.16Å; K183-E185 VanDerWaalsContact C-N 3.34Å; K183-E185 PolarHBondContact O-N 2.98Å; E185-H187 PolarHBondContact O-N 3.31Å; E185-H188 PolarHBondContact O-N 2.98Å; E185-N189 HydrophobicContact CG-CB 4.3Å; E185-N189 WeakPolarHBondContact O-CB 3.5Å; E185-N189 PolarHBondContact O-N 2.88Å; E185-L192 WeakPolarHBondContact OE1-CD2 3.36Å; E185-G275 WeakPolarHBondContact OE2-CA 3.4Å; E185-G276 PolarHBondContact OE2-N 3.2Å
186I94.4Very high94.2Very high25 Ų2558.3 Ų58.313%0.12830%0.298CS..Hα-helixtrans-58.5-36.9175.6-67.2165.9000111.8I177 T178 F181 G182 K183 E184 I193I177-I186 HydrophobicContact CG2-CD1 4.01Å; I177-I186 HydrophobicContact CG2-CG1 4.05Å; T178-I186 HydrophobicContact CG2-CD1 3.98Å; F181-I186 HydrophobicContact CB-CD1 4.16Å; F181-I186 HydrophobicContact CB-CG1 3.74Å; F181-I186 WeakPolarHBondContact O-CD1 3.2Å; G182-I186 WeakPolarHBondContact O-CG1 3.39Å; G182-I186 PolarHBondContact O-N 3.33Å; K183-I186 PolarHBondContact O-N 2.94Å; E184-I186 PolarHBondContact O-N 2.72Å; I186-I193 HydrophobicContact CG1-CD1 4.02Å
187H92.5Very high94.3Very high123 Ų12362.3 Ų62.357%0.56931%0.314SS*.Hα-helixtrans-84.3-25.9-178.3-70.889.3000113.9K183 E184 E185 H190K183-H187 PolarHBondContact O-N 3.25Å; K183-H187 PolarHBondContact O-ND1 3.13Å; E184-H187 PolarHBondContact O-N 3.23Å; E185-H187 PolarHBondContact O-N 3.31Å; H187-H190 PolarHBondContact O-CE1 3.2Å; H187-H190 PolarHBondContact O-NE2 3.14Å
188H92.7Very high94.3Very high140 Ų14067.6 Ų67.665%0.64834%0.338SS*.Hα-helixtrans-109.4-25.6-171.9-64.5101000114.2E184 E185E184-H188 WeakPolarHBondContact O-CB 3.27Å; E184-H188 PolarHBondContact O-N 3.32Å; E184-H188 PolarHBondContact O-ND1 3.46Å; E184-H188 IonicContact OE2-CE1 3.74Å; E184-H188 PolarHBondContact OE2-CE1 3.39Å; E184-H188 IonicContact OE2-ND1 3.9Å; E185-H188 PolarHBondContact O-N 2.98Å
189N92.3Very high94.4Very high65 Ų6565.3 Ų65.335%0.34832%0.322SS..  trans-108.663-176.1-163.3-8.2000111.9E185 D191 L192 I193E185-N189 HydrophobicContact CG-CB 4.3Å; E185-N189 WeakPolarHBondContact O-CB 3.5Å; E185-N189 PolarHBondContact O-N 2.88Å; N189-D191 VanDerWaalsContact C-N 3.29Å; N189-D191 PolarHBondContact O-N 3.35Å; N189-L192 HydrophobicContact CB-CB 4.35Å; N189-L192 VanDerWaalsContact CG-CB 3.44Å; N189-L192 WeakPolarHBondContact ND2-CB 3.42Å; N189-L192 VanDerWaalsContact ND2-CD2 3.34Å; N189-L192 WeakPolarHBondContact ND2-CD2 3.27Å; N189-L192 PolarHBondContact O-N 3.44Å; N189-L192 WeakPolarHBondContact OD1-CB 3.41Å; N189-I193 WeakPolarHBondContact O-CG1 3.38Å; N189-I193 PolarHBondContact O-N 2.86Å; N189-I193 VanDerWaalsContact O-N 3.15Å
190H93.2Very high94.5Very high123 Ų12363.8 Ų63.857%0.56932%0.315SS*.Hα-helixtrans-59.8-35.5-171.9-63.6-46.3000114.2H187 A194H187-H190 PolarHBondContact O-CE1 3.2Å; H187-H190 PolarHBondContact O-NE2 3.14Å; H190-A194 WeakPolarHBondContact O-CB 3.31Å; H190-A194 PolarHBondContact O-N 3.32Å
191D95.1Very high94.4Very high134 Ų13466.9 Ų66.972%0.71733%0.331SS*.Hα-helixtrans-67.4-48.6-178.6-68.7-20.4000111.2N189 I193 A194 T195N189-D191 VanDerWaalsContact C-N 3.29Å; N189-D191 PolarHBondContact O-N 3.35Å; D191-I193 VanDerWaalsContact C-N 3.33Å; D191-I193 PolarHBondContact O-N 3.08Å; D191-A194 PolarHBondContact O-N 2.82Å; D191-T195 PolarHBondContact O-N 3.4Å; D191-T195 PolarHBondContact O-OG1 3.3Å
192L93.4Very high94.2Very high29 Ų2971.7 Ų71.715%0.15236%0.357CS..Hα-helixtrans-56.8-49.9175.9-178.666.8000110.7F181 E185 N189 A194 T195 F196 V280F181-L192 HydrophobicContact CE1-CD2 4.06Å; F181-L192 HydrophobicContact CE1-CG 4.44Å; E185-L192 WeakPolarHBondContact OE1-CD2 3.36Å; N189-L192 HydrophobicContact CB-CB 4.35Å; N189-L192 VanDerWaalsContact CG-CB 3.44Å; N189-L192 WeakPolarHBondContact ND2-CB 3.42Å; N189-L192 VanDerWaalsContact ND2-CD2 3.34Å; N189-L192 WeakPolarHBondContact ND2-CD2 3.27Å; N189-L192 PolarHBondContact O-N 3.44Å; N189-L192 WeakPolarHBondContact OD1-CB 3.41Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.99Å; L192-T195 WeakPolarHBondContact O-CB 3.39Å; L192-T195 PolarHBondContact O-N 3.1Å; L192-T195 VanDerWaalsContact O-N 3.15Å; L192-F196 HydrophobicContact CD1-CD2 4.01Å; L192-F196 HydrophobicContact CD1-CE2 3.66Å; L192-F196 HydrophobicContact CG-CD2 4.24Å; L192-F196 HydrophobicContact CG-CE2 4.27Å; L192-F196 WeakPolarHBondContact O-CD2 3.33Å; L192-F196 PolarHBondContact O-N 2.95Å; L192-V280 HydrophobicContact CD1-CG1 4.02Å
193I96.1Very high94.3Very high0 Ų074.3 Ų74.30%037%0.37CS..Hα-helixtrans-66.2-36.6-177.5-57.2-69.7000110.9I177 F181 I186 N189 D191 T195 F196 R197I177-I193 HydrophobicContact CG2-CG2 4.04Å; F181-I193 HydrophobicContact CB-CD1 3.8Å; F181-I193 HydrophobicContact CD1-CD1 3.94Å; F181-I193 HydrophobicContact CD2-CD1 3.56Å; F181-I193 HydrophobicContact CE1-CD1 4.42Å; F181-I193 HydrophobicContact CE2-CD1 4.11Å; F181-I193 HydrophobicContact CG-CD1 3.47Å; F181-I193 VanDerWaalsContact CG-CD1 3.47Å; I186-I193 HydrophobicContact CG1-CD1 4.02Å; N189-I193 WeakPolarHBondContact O-CG1 3.38Å; N189-I193 PolarHBondContact O-N 2.86Å; N189-I193 VanDerWaalsContact O-N 3.15Å; D191-I193 VanDerWaalsContact C-N 3.33Å; D191-I193 PolarHBondContact O-N 3.08Å; I193-T195 VanDerWaalsContact C-N 3.35Å; I193-F196 PolarHBondContact O-N 2.92Å; I193-R197 HydrophobicContact CG2-CG 4.45Å; I193-R197 WeakPolarHBondContact O-CB 3.45Å; I193-R197 WeakPolarHBondContact O-CG 3.49Å; I193-R197 PolarHBondContact O-N 3.49Å
194A96.2Very high94.6Very high52 Ų5266.9 Ų66.943%0.4334%0.338SS..Hα-helixtrans-63.8-39.9174.100000111.7H190 D191 L192 R197 H198H190-A194 WeakPolarHBondContact O-CB 3.31Å; H190-A194 PolarHBondContact O-N 3.32Å; D191-A194 PolarHBondContact O-N 2.82Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.99Å; A194-R197 PolarHBondContact O-N 3.36Å; A194-H198 WeakPolarHBondContact O-CB 3.14Å; A194-H198 PolarHBondContact O-N 2.93Å
195T96.6Very high94.9Very high91 Ų9162.5 Ų62.556%0.55832%0.318SS*.Hα-helixtrans-60-48.6174.3-62.60000111.7D191 L192 I193 H198 H199D191-T195 PolarHBondContact O-N 3.4Å; D191-T195 PolarHBondContact O-OG1 3.3Å; L192-T195 WeakPolarHBondContact O-CB 3.39Å; L192-T195 PolarHBondContact O-N 3.1Å; L192-T195 VanDerWaalsContact O-N 3.15Å; I193-T195 VanDerWaalsContact C-N 3.35Å; T195-H198 PolarHBondContact O-N 2.93Å; T195-H199 PolarHBondContact O-N 3.04Å
196F97.1Very high95Very high14 Ų1464 Ų646%0.06133%0.325CS..Hα-helixtrans-68.1-38.5178.6-82.3-87.8000112.6L52 I177 F181 L192 I193 H198 H199 I200 M277 V280L52-F196 HydrophobicContact CD2-CD1 3.65Å; L52-F196 HydrophobicContact CD2-CE1 3.42Å; L52-F196 VanDerWaalsContact CD2-CE1 3.42Å; I177-F196 HydrophobicContact CD1-CB 4.07Å; F181-F196 HydrophobicContact CE1-CD2 4.38Å; F181-F196 HydrophobicContact CE1-CE2 4.44Å; F181-F196 HydrophobicContact CE2-CB 3.9Å; F181-F196 HydrophobicContact CE2-CD1 4.28Å; F181-F196 HydrophobicContact CE2-CD2 4.06Å; F181-F196 AromaticContact CE2-CG 3.81Å; F181-F196 HydrophobicContact CE2-CG 3.81Å; F181-F196 HydrophobicContact CZ-CB 4.17Å; F181-F196 HydrophobicContact CZ-CD1 4.03Å; F181-F196 AromaticContact CZ-CD2 3.43Å; F181-F196 HydrophobicContact CZ-CD2 3.43Å; F181-F196 VanDerWaalsContact CZ-CD2 3.43Å; F181-F196 HydrophobicContact CZ-CE1 4.3Å; F181-F196 AromaticContact CZ-CE2 3.74Å; F181-F196 HydrophobicContact CZ-CE2 3.74Å; F181-F196 AromaticContact CZ-CG 3.59Å; F181-F196 HydrophobicContact CZ-CG 3.59Å; F181-F196 HydrophobicContact CZ-CZ 4.17Å; L192-F196 HydrophobicContact CD1-CD2 4.01Å; L192-F196 HydrophobicContact CD1-CE2 3.66Å; L192-F196 HydrophobicContact CG-CD2 4.24Å; L192-F196 HydrophobicContact CG-CE2 4.27Å; L192-F196 WeakPolarHBondContact O-CD2 3.33Å; L192-F196 PolarHBondContact O-N 2.95Å; I193-F196 PolarHBondContact O-N 2.92Å; F196-H198 VanDerWaalsContact C-N 3.32Å; F196-H198 PolarHBondContact O-N 3.43Å; F196-H199 PolarHBondContact O-N 2.78Å; F196-I200 WeakPolarHBondContact O-CD1 3.29Å; F196-I200 VanDerWaalsContact O-CG1 3.29Å; F196-I200 WeakPolarHBondContact O-CG1 3.36Å; F196-I200 PolarHBondContact O-N 3.22Å; F196-M277 HydrophobicContact CE1-CE 3.94Å; F196-M277 HydrophobicContact CZ-CE 4.05Å; F196-V280 HydrophobicContact CZ-CG2 4.25Å
197R96.8Very high95.1Very high84 Ų8466.5 Ų66.532%0.31734%0.335SS..Hα-helixtrans-60.4-42.9172.5-77.4-176.5172.7122.71.8112L173 I177 I193 A194 L201L173-R197 HydrophobicContact CD1-CB 4.5Å; L173-R197 HydrophobicContact CD1-CG 4.24Å; L173-R197 HydrophobicContact CD2-CG 4.26Å; L173-R197 HydrophobicContact CG-CG 4.45Å; I177-R197 HydrophobicContact CD1-CG 3.79Å; I177-R197 HydrophobicContact CG1-CG 3.86Å; I193-R197 HydrophobicContact CG2-CG 4.45Å; I193-R197 WeakPolarHBondContact O-CB 3.45Å; I193-R197 WeakPolarHBondContact O-CG 3.49Å; I193-R197 PolarHBondContact O-N 3.49Å; A194-R197 PolarHBondContact O-N 3.36Å; R197-L201 WeakPolarHBondContact O-CB 3.4Å; R197-L201 WeakPolarHBondContact O-CG 3.41Å; R197-L201 PolarHBondContact O-N 3.06Å; R197-L201 VanDerWaalsContact O-N 3.09Å
198H96.7Very high95.3Very high111 Ų11160.6 Ų60.651%0.51431%0.308SS..Hα-helixtrans-62.7-46.5176.8-177.680.4000111.1A194 T195 F196 L201 N202A194-H198 WeakPolarHBondContact O-CB 3.14Å; A194-H198 PolarHBondContact O-N 2.93Å; T195-H198 PolarHBondContact O-N 2.93Å; F196-H198 VanDerWaalsContact C-N 3.32Å; F196-H198 PolarHBondContact O-N 3.43Å; H198-L201 PolarHBondContact O-N 3.36Å; H198-N202 PolarHBondContact CE1-ND2 2.82Å; H198-N202 PolarHBondContact ND1-ND2 3.43Å; H198-N202 VanDerWaalsContact ND1-ND2 3.14Å; H198-N202 WeakPolarHBondContact O-CB 3.3Å; H198-N202 PolarHBondContact O-N 3.14Å; H198-N202 PolarHBondContact O-ND2 2.9Å
199H96.5Very high95.5Very high23 Ų2354 Ų5411%0.10628%0.278CS..Hα-helixtrans-56.5-53.7176.6174.673.4000111.7A56 T195 F196 L201 N202 N203 M204A56-H199 WeakPolarHBondContact CB-NE2 3.43Å; T195-H199 PolarHBondContact O-N 3.04Å; F196-H199 PolarHBondContact O-N 2.78Å; H199-L201 VanDerWaalsContact C-N 3.29Å; H199-L201 PolarHBondContact O-N 2.71Å; H199-N202 PolarHBondContact O-N 3.29Å; H199-N203 WeakPolarHBondContact O-CA 3.46Å; H199-N203 WeakPolarHBondContact O-CB 3.4Å; H199-N203 PolarHBondContact O-N 2.98Å; H199-M204 PolarHBondContact O-N 2.97Å
200I96.6Very high95.7Very high1 Ų154.1 Ų54.11%0.00528%0.276CS..Hα-helixtrans-58.3-43-178.2-67.2160.6000110.5G51 L173 I176 I177 F196 Q206 L209G51-I200 VanDerWaalsContact O-CG1 3.27Å; G51-I200 WeakPolarHBondContact O-CG1 3.2Å; L173-I200 HydrophobicContact CD1-CB 3.68Å; L173-I200 HydrophobicContact CD1-CD1 3.79Å; L173-I200 HydrophobicContact CD1-CG1 4.35Å; L173-I200 HydrophobicContact CD1-CG2 3.53Å; I176-I200 HydrophobicContact CB-CD1 4.36Å; I176-I200 HydrophobicContact CD1-CG2 4.4Å; I176-I200 HydrophobicContact CG2-CD1 3.6Å; I176-I200 HydrophobicContact CG2-CG1 4.45Å; I177-I200 HydrophobicContact CD1-CD1 3.88Å; I177-I200 HydrophobicContact CG1-CD1 4.36Å; F196-I200 WeakPolarHBondContact O-CD1 3.29Å; F196-I200 VanDerWaalsContact O-CG1 3.29Å; F196-I200 WeakPolarHBondContact O-CG1 3.36Å; F196-I200 PolarHBondContact O-N 3.22Å; I200-Q206 PolarHBondContact O-NE2 3.39Å; I200-L209 HydrophobicContact CG2-CD2 3.82Å
201L94.4Very high95.9Very high66 Ų6649.5 Ų49.535%0.34626%0.255SS..Hα-helixtrans-77.2-34.1-176.3-73.7174.8000114.7L173 R197 H198 H199L173-L201 HydrophobicContact CD1-CG 4.43Å; L173-L201 HydrophobicContact CD2-CD1 3.73Å; L173-L201 HydrophobicContact CD2-CD2 4.03Å; L173-L201 HydrophobicContact CD2-CG 3.83Å; R197-L201 WeakPolarHBondContact O-CB 3.4Å; R197-L201 WeakPolarHBondContact O-CG 3.41Å; R197-L201 PolarHBondContact O-N 3.06Å; R197-L201 VanDerWaalsContact O-N 3.09Å; H198-L201 PolarHBondContact O-N 3.36Å; H199-L201 VanDerWaalsContact C-N 3.29Å; H199-L201 PolarHBondContact O-N 2.71Å
202N92.9Very high96Very high104 Ų10443.1 Ų43.156%0.55622%0.221SC*.Hα-helixtrans-114.1-24.6-166-58.3-80.7000113.8H198 H199H198-N202 PolarHBondContact CE1-ND2 2.82Å; H198-N202 PolarHBondContact ND1-ND2 3.43Å; H198-N202 VanDerWaalsContact ND1-ND2 3.14Å; H198-N202 WeakPolarHBondContact O-CB 3.3Å; H198-N202 PolarHBondContact O-N 3.14Å; H198-N202 PolarHBondContact O-ND2 2.9Å; H199-N202 PolarHBondContact O-N 3.29Å
203N94.1Very high96.1Very high61 Ų6141.9 Ų41.933%0.32622%0.215SC..THydrogen-bonded Turntrans-106.7-11.2-174.8-63.764.2000112.7H199H199-N203 WeakPolarHBondContact O-CA 3.46Å; H199-N203 WeakPolarHBondContact O-CB 3.4Å; H199-N203 PolarHBondContact O-N 2.98Å
204M96.1Very high96Very high13 Ų1347.8 Ų47.86%0.06424%0.241CC..SBendtrans-110.6146.6178.5-58.6-168.977.800112.3L52 Q84 H199 Q206 L209L52-M204 VanDerWaalsContact O-CE 3.25Å; L52-M204 WeakPolarHBondContact O-CE 3.41Å; Q84-M204 HydrophobicContact CB-CE 4.25Å; Q84-M204 VanDerWaalsContact OE1-CE 3.3Å; H199-M204 PolarHBondContact O-N 2.97Å; M204-Q206 PolarHBondContact O-N 2.88Å; M204-Q206 PolarHBondContact O-NE2 3.42Å; M204-L209 HydrophobicContact CE-CD1 3.92Å; M204-L209 HydrophobicContact SD-CD1 4.42Å; M204-L209 HydrophobicContact SD-CD2 4.17Å
205N96.9Very high96Very high31 Ų3145.7 Ų45.717%0.16622%0.223CC..  trans-74.8109.7171-172.5-50.2000110.1A88 T90 F207 N208 L209A88-N205 PolarHBondContact O-ND2 3.3Å; T90-N205 WeakPolarHBondContact CA-ND2 3.34Å; T90-N205 PolarHBondContact N-ND2 2.92Å; T90-N205 PolarHBondContact OG1-ND2 3.45Å; N205-F207 VanDerWaalsContact C-N 3.3Å; N205-F207 PolarHBondContact O-N 2.82Å; N205-F207 PolarHBondContact OD1-N 3.13Å; N205-F207 VanDerWaalsContact OD1-N 3.17Å; N205-N208 HydrophobicContact CB-CB 4.09Å; N205-N208 PolarHBondContact O-N 3.44Å; N205-N208 PolarHBondContact OD1-N 3.31Å; N205-L209 WeakPolarHBondContact O-CB 3.35Å; N205-L209 PolarHBondContact O-N 2.92Å
206Q95.1Very high96Very high53 Ų5341.4 Ų41.425%0.24820%0.197CC..Hα-helixtrans-60.1-37.2-173.4-58-54.8-73.700113.5I200 M204 H210I200-Q206 PolarHBondContact O-NE2 3.39Å; M204-Q206 PolarHBondContact O-N 2.88Å; M204-Q206 PolarHBondContact O-NE2 3.42Å; Q206-H210 WeakPolarHBondContact O-CB 3.35Å; Q206-H210 PolarHBondContact O-N 3.31Å
207F95.3Very high95.8Very high78 Ų7844.2 Ų44.234%0.34221%0.21SC..Hα-helixtrans-68.7-44.6179.8-178.6-92.2000111.1T90 F91 N205 H210 L211T90-F207 HydrophobicContact CG2-CB 3.77Å; T90-F207 HydrophobicContact CG2-CD1 3.68Å; T90-F207 HydrophobicContact CG2-CG 3.83Å; F91-F207 HydrophobicContact CB-CD1 4.37Å; F91-F207 HydrophobicContact CB-CE1 4.07Å; N205-F207 VanDerWaalsContact C-N 3.3Å; N205-F207 PolarHBondContact O-N 2.82Å; N205-F207 PolarHBondContact OD1-N 3.13Å; N205-F207 VanDerWaalsContact OD1-N 3.17Å; F207-H210 PolarHBondContact O-N 3.25Å; F207-L211 HydrophobicContact CD1-CD1 4.12Å; F207-L211 HydrophobicContact CE1-CD1 3.7Å; F207-L211 HydrophobicContact CE1-CG 4.41Å; F207-L211 HydrophobicContact CZ-CD1 4.39Å; F207-L211 WeakPolarHBondContact O-CG 3.44Å; F207-L211 PolarHBondContact O-N 3.4Å
208N97.7Very high95.6Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-68.4-37.2178-60.9-7000111.4G83 Q84 N89 F91 N205 L211 F212G83-N208 WeakPolarHBondContact CA-ND2 3.42Å; G83-N208 WeakPolarHBondContact O-CB 3.34Å; G83-N208 PolarHBondContact O-ND2 3.22Å; G83-N208 VanDerWaalsContact O-ND2 3.14Å; Q84-N208 VanDerWaalsContact NE2-C 3.34Å; Q84-N208 PolarHBondContact NE2-O 2.82Å; N89-N208 PolarHBondContact O-ND2 2.93Å; F91-N208 HydrophobicContact CD2-CB 4.08Å; F91-N208 VanDerWaalsContact CD2-CG 3.45Å; F91-N208 WeakPolarHBondContact CD2-OD1 3.43Å; F91-N208 HydrophobicContact CE2-CB 4.23Å; F91-N208 PolarHBondContact N-OD1 3.46Å; N205-N208 HydrophobicContact CB-CB 4.09Å; N205-N208 PolarHBondContact O-N 3.44Å; N205-N208 PolarHBondContact OD1-N 3.31Å; N208-L211 WeakPolarHBondContact O-CB 3.19Å; N208-L211 PolarHBondContact O-N 3.21Å; N208-F212 PolarHBondContact O-N 3.44Å; N208-F212 VanDerWaalsContact O-N 3.13Å
209L97.4Very high95.5Very high1 Ų139.6 Ų39.61%0.00520%0.201CC..Hα-helixtrans-60.8-47.4176.1174.458.3000111I176 I200 M204 N205 L211 F212 V213I176-L209 HydrophobicContact CD1-CD1 4.16Å; I176-L209 HydrophobicContact CD1-CD2 3.82Å; I176-L209 HydrophobicContact CD1-CG 4.14Å; I200-L209 HydrophobicContact CG2-CD2 3.82Å; M204-L209 HydrophobicContact CE-CD1 3.92Å; M204-L209 HydrophobicContact SD-CD1 4.42Å; M204-L209 HydrophobicContact SD-CD2 4.17Å; N205-L209 WeakPolarHBondContact O-CB 3.35Å; N205-L209 PolarHBondContact O-N 2.92Å; L209-L211 PolarHBondContact O-N 2.93Å; L209-F212 PolarHBondContact O-N 2.96Å; L209-V213 HydrophobicContact CD1-CG2 3.97Å; L209-V213 HydrophobicContact CG-CG2 4.3Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 3.5Å
210H95.6Very high95.4Very high67 Ų6743.8 Ų43.831%0.3122%0.216SC..Hα-helixtrans-54.8-41.6176.6-179.664.1000112.6E172 Q206 F207 K214E172-H210 WeakPolarHBondContact OE1-CA 3.4Å; E172-H210 IonicContact OE1-CE1 3.83Å; E172-H210 IonicContact OE1-CG 2.78Å; E172-H210 IonicContact OE1-ND1 3.16Å; E172-H210 PolarHBondContact OE1-ND1 3.43Å; E172-H210 IonicContact OE2-ND1 3.56Å; Q206-H210 WeakPolarHBondContact O-CB 3.35Å; Q206-H210 PolarHBondContact O-N 3.31Å; F207-H210 PolarHBondContact O-N 3.25Å; H210-K214 VanDerWaalsContact O-CB 3.32Å; H210-K214 WeakPolarHBondContact O-CB 3.5Å; H210-K214 PolarHBondContact O-N 2.9Å
211L96.8Very high95.3Very high27 Ų2747.1 Ų47.114%0.14123%0.234CC..Hα-helixtrans-64.1-41.8176.4-67.7175000112.4F91 Y95 Y97 F207 N208 L209 K214 A215F91-L211 HydrophobicContact CB-CD1 4.38Å; F91-L211 HydrophobicContact CD2-CD1 4.1Å; Y95-L211 HydrophobicContact CD1-CD1 4.05Å; Y97-L211 HydrophobicContact CD2-CB 3.59Å; Y97-L211 HydrophobicContact CD2-CD1 4.21Å; Y97-L211 HydrophobicContact CE2-CB 4.38Å; Y97-L211 HydrophobicContact CG-CB 3.75Å; F207-L211 HydrophobicContact CD1-CD1 4.12Å; F207-L211 HydrophobicContact CE1-CD1 3.7Å; F207-L211 HydrophobicContact CE1-CG 4.41Å; F207-L211 HydrophobicContact CZ-CD1 4.39Å; F207-L211 WeakPolarHBondContact O-CG 3.44Å; F207-L211 PolarHBondContact O-N 3.4Å; N208-L211 WeakPolarHBondContact O-CB 3.19Å; N208-L211 PolarHBondContact O-N 3.21Å; L209-L211 PolarHBondContact O-N 2.93Å; L211-K214 PolarHBondContact O-N 3.45Å; L211-A215 WeakPolarHBondContact O-CB 3.29Å; L211-A215 PolarHBondContact O-N 3.32Å
212F98.1Very high95.3Very high0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-69-42.9179-177.4-144.9000112.3F47 H48 I50 A81 Q84 Y97 M100 L103 A126 N208 L209 K214 A215 Y216F47-F212 HydrophobicContact CE1-CZ 4.34Å; H48-F212 AromaticContact CE1-CE1 3.86Å; I50-F212 HydrophobicContact CB-CE1 4.47Å; I50-F212 HydrophobicContact CG2-CD1 4.05Å; I50-F212 HydrophobicContact CG2-CE1 3.9Å; I50-F212 HydrophobicContact CG2-CG 4.47Å; I50-F212 HydrophobicContact CG2-CZ 4.19Å; A81-F212 HydrophobicContact CB-CD1 4.21Å; A81-F212 HydrophobicContact CB-CD2 4.46Å; A81-F212 HydrophobicContact CB-CE1 3.83Å; A81-F212 HydrophobicContact CB-CE2 4.11Å; A81-F212 HydrophobicContact CB-CZ 3.78Å; Q84-F212 HydrophobicContact CG-CD1 3.82Å; Q84-F212 HydrophobicContact CG-CE1 4.4Å; Q84-F212 HydrophobicContact CG-CG 4.39Å; Y97-F212 HydrophobicContact CE1-CB 4.1Å; Y97-F212 AromaticContact CE1-CD2 3.84Å; Y97-F212 HydrophobicContact CE1-CD2 3.84Å; Y97-F212 HydrophobicContact CE1-CG 4.38Å; Y97-F212 HydrophobicContact CE2-CB 4.38Å; Y97-F212 AromaticContact CZ-CD2 3.98Å; Y97-F212 WeakPolarHBondContact OH-CD2 3.27Å; M100-F212 HydrophobicContact CE-CE2 4.36Å; M100-F212 HydrophobicContact SD-CE2 4.17Å; L103-F212 HydrophobicContact CD1-CD2 4.19Å; L103-F212 HydrophobicContact CD1-CE2 3.81Å; A126-F212 HydrophobicContact CB-CE2 4.49Å; A126-F212 HydrophobicContact CB-CZ 3.98Å; N208-F212 PolarHBondContact O-N 3.44Å; N208-F212 VanDerWaalsContact O-N 3.13Å; L209-F212 PolarHBondContact O-N 2.96Å; F212-K214 PolarHBondContact O-N 2.87Å; F212-A215 WeakPolarHBondContact O-CB 3.31Å; F212-A215 PolarHBondContact O-N 3.13Å; F212-Y216 PolarHBondContact O-N 3.37Å
213V95.9Very high95.2Very high2 Ų243.3 Ų43.31%0.01221%0.214CC..Hα-helixtrans-54.7-52.3172.11680000110.1I50 M175 I176 L209 A215 Y216 E217I50-V213 HydrophobicContact CB-CG2 4.32Å; I50-V213 HydrophobicContact CD1-CG2 4.32Å; M175-V213 HydrophobicContact CE-CB 4.49Å; M175-V213 HydrophobicContact CE-CG1 3.3Å; M175-V213 HydrophobicContact CE-CG2 4.4Å; I176-V213 HydrophobicContact CD1-CG2 4Å; I176-V213 HydrophobicContact CG1-CG2 4.28Å; L209-V213 HydrophobicContact CD1-CG2 3.97Å; L209-V213 HydrophobicContact CG-CG2 4.3Å; L209-V213 WeakPolarHBondContact O-CG2 3.32Å; L209-V213 PolarHBondContact O-N 3.5Å; V213-A215 VanDerWaalsContact C-N 3.29Å; V213-A215 PolarHBondContact O-N 2.99Å; V213-Y216 PolarHBondContact O-N 3.3Å; V213-E217 HydrophobicContact CG1-CG 4.31Å; V213-E217 WeakPolarHBondContact O-CG 3.43Å; V213-E217 PolarHBondContact O-N 3.42Å
214K93.9Very high95.3Very high125 Ų12540.7 Ų40.754%0.54320%0.2SC..Hα-helixtrans-59.5-38.9179.3-176.2-179.3178.2-176.70112.5H210 L211 F212 Y216 S218H210-K214 VanDerWaalsContact O-CB 3.32Å; H210-K214 WeakPolarHBondContact O-CB 3.5Å; H210-K214 PolarHBondContact O-N 2.9Å; L211-K214 PolarHBondContact O-N 3.45Å; F212-K214 PolarHBondContact O-N 2.87Å; K214-Y216 VanDerWaalsContact C-N 3.35Å; K214-S218 WeakPolarHBondContact O-CB 3.48Å; K214-S218 PolarHBondContact O-N 3.14Å; K214-S218 PolarHBondContact O-OG 3.08Å
215A96.4Very high95.2Very high7 Ų746.6 Ų46.66%0.05823%0.227CC..Hα-helixtrans-64.1-39.9175.300000111.9Y97 M100 L211 F212 V213 S218 R219Y97-A215 HydrophobicContact CD1-CB 3.7Å; Y97-A215 HydrophobicContact CE1-CB 4.01Å; M100-A215 WeakPolarHBondContact CG-O 3.27Å; L211-A215 WeakPolarHBondContact O-CB 3.29Å; L211-A215 PolarHBondContact O-N 3.32Å; F212-A215 WeakPolarHBondContact O-CB 3.31Å; F212-A215 PolarHBondContact O-N 3.13Å; V213-A215 VanDerWaalsContact C-N 3.29Å; V213-A215 PolarHBondContact O-N 2.99Å; A215-S218 PolarHBondContact O-OG 3.47Å; A215-R219 PolarHBondContact O-N 2.89Å
216Y96.2Very high95.1Very high2 Ų249.7 Ų49.71%0.00824%0.237CC..Hα-helixtrans-70.4-40.9176.4-177.2-120.6000112.9I50 M100 A126 W157 F212 V213 K214 S218 R219I50-Y216 HydrophobicContact CD1-CD1 4.25Å; I50-Y216 HydrophobicContact CG2-CD1 4.08Å; I50-Y216 HydrophobicContact CG2-CG 4.16Å; M100-Y216 HydrophobicContact CE-CD2 3.86Å; M100-Y216 HydrophobicContact CG-CD2 4.38Å; M100-Y216 HydrophobicContact SD-CD2 4.15Å; A126-Y216 VanDerWaalsContact CA-CE2 3.48Å; A126-Y216 HydrophobicContact CB-CD1 4.4Å; A126-Y216 HydrophobicContact CB-CD2 3.59Å; A126-Y216 HydrophobicContact CB-CE2 3.82Å; A126-Y216 HydrophobicContact CB-CG 3.9Å; W157-Y216 HydrophobicContact CH2-CD1 4.24Å; W157-Y216 HydrophobicContact CH2-CE1 4.08Å; W157-Y216 HydrophobicContact CZ2-CD1 4.42Å; W157-Y216 AromaticContact CZ2-CE1 3.93Å; W157-Y216 HydrophobicContact CZ2-CE1 3.93Å; F212-Y216 PolarHBondContact O-N 3.37Å; V213-Y216 PolarHBondContact O-N 3.3Å; K214-Y216 VanDerWaalsContact C-N 3.35Å; Y216-S218 VanDerWaalsContact C-N 3.28Å; Y216-S218 PolarHBondContact O-N 3.5Å; Y216-R219 VanDerWaalsContact CE2-CD 3.49Å; Y216-R219 VanDerWaalsContact O-CB 3.28Å; Y216-R219 WeakPolarHBondContact O-CB 3.45Å; Y216-R219 VanDerWaalsContact O-CD 3.3Å; Y216-R219 WeakPolarHBondContact O-CD 3.38Å; Y216-R219 WeakPolarHBondContact O-CG 3.47Å; Y216-R219 PolarHBondContact O-N 3.4Å; Y216-R219 PolarHBondContact O-NH1 3.49Å
217E92.1Very high95Very high73 Ų7349 Ų4934%0.34124%0.237SC..Hα-helixtrans-64.3-32.7176.3-72.8-176.8158.400112.6W157 V213 R219W157-E217 HydrophobicContact CE3-CG 4.21Å; V213-E217 HydrophobicContact CG1-CG 4.31Å; V213-E217 WeakPolarHBondContact O-CG 3.43Å; V213-E217 PolarHBondContact O-N 3.42Å; E217-R219 VanDerWaalsContact C-N 3.32Å
218S92.4Very high94.7Very high87 Ų8749.5 Ų49.561%0.60825%0.246SC*.THydrogen-bonded Turntrans-90.29.9178.260.30000114K214 A215 Y216K214-S218 WeakPolarHBondContact O-CB 3.48Å; K214-S218 PolarHBondContact O-N 3.14Å; K214-S218 PolarHBondContact O-OG 3.08Å; A215-S218 PolarHBondContact O-OG 3.47Å; Y216-S218 VanDerWaalsContact C-N 3.28Å; Y216-S218 PolarHBondContact O-N 3.5Å
219R94.8Very high94.1Very high11 Ų1155.7 Ų55.74%0.04229%0.286CS..PPolyproline II helixtrans-58.6155.4175.476.1-170.8176.1-80.6-4.3110.5M100 Y129 N151 C153 A154 A215 Y216 E217M100-R219 HydrophobicContact CB-CB 4.31Å; M100-R219 HydrophobicContact CG-CB 3.8Å; Y129-R219 HydrophobicContact CE1-CB 4.48Å; Y129-R219 HydrophobicContact CE2-CB 4.28Å; Y129-R219 HydrophobicContact CE2-CG 4.18Å; N151-R219 PolarHBondContact ND2-NH2 2.92Å; C153-R219 PolarHBondContact O-NE 3.4Å; C153-R219 PolarHBondContact O-NH2 2.87Å; A154-R219 WeakPolarHBondContact CB-O 3.33Å; A215-R219 PolarHBondContact O-N 2.89Å; Y216-R219 VanDerWaalsContact CE2-CD 3.49Å; Y216-R219 VanDerWaalsContact O-CB 3.28Å; Y216-R219 WeakPolarHBondContact O-CB 3.45Å; Y216-R219 VanDerWaalsContact O-CD 3.3Å; Y216-R219 WeakPolarHBondContact O-CD 3.38Å; Y216-R219 WeakPolarHBondContact O-CG 3.47Å; Y216-R219 PolarHBondContact O-N 3.4Å; Y216-R219 PolarHBondContact O-NH1 3.49Å; E217-R219 VanDerWaalsContact C-N 3.32Å
220R94.2Very high93.4Very high111 Ų11159.8 Ų59.842%0.41933%0.329SS..PPolyproline II helixtrans-94.4171.3169.862172.7179136.4-7.3110.7D101 Y129 D223D101-R220 IonicContact OD1-NE 2.68Å; D101-R220 IonicContact OD2-CZ 3.54Å; D101-R220 IonicContact OD2-NE 2.78Å; D101-R220 PolarHBondContact OD2-NE 2.96Å; D101-R220 IonicContact OD2-NH2 3.69Å; D101-R220 PolarHBondContact OD2-NH2 2.99Å; Y129-R220 VanDerWaalsContact CE2-O 3.29Å; Y129-R220 WeakPolarHBondContact CE2-O 3.39Å; Y129-R220 PolarHBondContact OH-O 2.83Å; R220-D223 IonicContact NH1-OD2 2.74Å; R220-D223 PolarHBondContact NH1-OD2 3.21Å
221D95.1Very high92.8Very high70 Ų7060.5 Ų60.537%0.37434%0.341SS..PPolyproline II helixtrans-60.8142.5170.5-73.510.7000110.9R133 P152 C153 A154 D223R133-D221 PolarHBondContact NH2-O 3.01Å; P152-D221 CarbonylContact O-C 3.55Å; P152-D221 WeakPolarHBondContact O-CA 3.14Å; C153-D221 WeakPolarHBondContact CA-OD1 3.35Å; A154-D221 VanDerWaalsContact CB-OD1 3.3Å; A154-D221 WeakPolarHBondContact CB-OD1 3.4Å; A154-D221 PolarHBondContact N-OD1 3.49Å; D221-D223 PolarHBondContact O-N 2.93Å; D221-D223 VanDerWaalsContact O-N 3.15Å
222L94.1Very high92.1Very high4 Ų467.7 Ų67.72%0.02138%0.379CS..  trans-71104.1159.1-65.8177.9000106.3Y129 T132 R133 L136 I150 P152 I224Y129-L222 HydrophobicContact CD2-CD1 3.91Å; Y129-L222 HydrophobicContact CD2-CD2 3.95Å; Y129-L222 HydrophobicContact CD2-CG 3.73Å; Y129-L222 HydrophobicContact CE1-CD2 4.13Å; Y129-L222 HydrophobicContact CE2-CD1 4.17Å; Y129-L222 HydrophobicContact CE2-CD2 3.52Å; Y129-L222 HydrophobicContact CE2-CG 3.45Å; Y129-L222 VanDerWaalsContact CE2-CG 3.45Å; Y129-L222 HydrophobicContact CG-CD2 4.44Å; T132-L222 HydrophobicContact CG2-CD1 3.6Å; R133-L222 HydrophobicContact CB-CD2 4.36Å; L136-L222 HydrophobicContact CD1-CD2 4.44Å; I150-L222 HydrophobicContact CD1-CD1 4.16Å; P152-L222 HydrophobicContact CB-CB 4.11Å; P152-L222 HydrophobicContact CB-CD1 3.97Å; P152-L222 HydrophobicContact CB-CG 4.36Å; P152-L222 PolarHBondContact O-N 3.06Å; L222-I224 HydrophobicContact CB-CG1 4.12Å; L222-I224 HydrophobicContact CB-CG2 4.43Å; L222-I224 WeakPolarHBondContact O-CG1 3.47Å; L222-I224 PolarHBondContact O-N 3.15Å
223D91.5Very high91.7Very high86 Ų8668.3 Ų68.346%0.4638%0.384SS..  trans-65.868.9172.9-49.4-51.2000110.5R220 D221R220-D223 IonicContact NH1-OD2 2.74Å; R220-D223 PolarHBondContact NH1-OD2 3.21Å; D221-D223 PolarHBondContact O-N 2.93Å; D221-D223 VanDerWaalsContact O-N 3.15Å
224I95.1Very high91.6Very high7 Ų772.3 Ų72.34%0.03640%0.399CS..  trans-113.3133177.553.9166.5000109.9L136 P152 L222 R234 K260 L261L136-I224 HydrophobicContact CD1-CG2 3.62Å; L136-I224 HydrophobicContact CD2-CG2 3.79Å; L136-I224 HydrophobicContact CG-CG2 4.32Å; P152-I224 HydrophobicContact CB-CD1 4.42Å; L222-I224 HydrophobicContact CB-CG1 4.12Å; L222-I224 HydrophobicContact CB-CG2 4.43Å; L222-I224 WeakPolarHBondContact O-CG1 3.47Å; L222-I224 PolarHBondContact O-N 3.15Å; I224-R234 VanDerWaalsContact CA-O 3.3Å; I224-R234 WeakPolarHBondContact CA-O 3.48Å; I224-K260 HydrophobicContact CD1-CB 3.92Å; I224-K260 HydrophobicContact CG1-CB 3.89Å; I224-K260 HydrophobicContact CG1-CD 4.18Å; I224-L261 HydrophobicContact CD1-CD2 3.81Å; I224-L261 HydrophobicContact CD1-CG 4.28Å
225E94.8Very high91.7Very high136 Ų13666.6 Ų66.664%0.63638%0.375SS*.  trans-129.5143.5178.2-69.2-178.1177.200109.9A233 R234 T235 K260E225-A233 HydrophobicContact CB-CB 4.1Å; E225-A233 WeakPolarHBondContact O-CB 3.5Å; E225-R234 PolarHBondContact N-O 2.88Å; E225-T235 WeakPolarHBondContact O-CB 3.35Å; E225-K260 CarbonylContact C-O 3.55Å
226R94.9Very high91.7Very high96 Ų9666.5 Ų66.536%0.36237%0.373SS..  trans-66126.4177.5179.3175.5-71.5-121.9-8.5108.6V228 N258 T259 K260 L261R226-V228 PolarHBondContact O-N 3.19Å; R226-N258 PolarHBondContact NH2-O 3.09Å; R226-T259 PolarHBondContact NE-O 3.42Å; R226-T259 PolarHBondContact NH2-O 2.98Å; R226-K260 VanDerWaalsContact CA-O 3.29Å; R226-K260 WeakPolarHBondContact CA-O 3.41Å; R226-K260 PolarHBondContact N-O 2.82Å; R226-L261 PolarHBondContact NE-O 2.99Å; R226-L261 PolarHBondContact NH2-O 2.99Å
227P92.4Very high91.8Very high39 Ų3971.8 Ų71.825%0.25340%0.396SS..  trans-66.1128.4-179.926.8-32.5000110.4A233 T235 D262P227-A233 HydrophobicContact CB-CB 4.2Å; P227-T235 HydrophobicContact CB-CG2 4.49Å; P227-T235 HydrophobicContact CG-CG2 4.07Å; P227-D262 HydrophobicContact CG-CB 3.72Å
228V89.8Confident92Very high88 Ų8868.9 Ų68.953%0.53338%0.384SS..  trans-105.3139.6171.3-178.50000107.9R226 G230 C231R226-V228 PolarHBondContact O-N 3.19Å; V228-G230 PolarHBondContact O-N 2.96Å; V228-G230 VanDerWaalsContact O-N 3.16Å; V228-C231 HydrophobicContact CB-CB 4.39Å; V228-C231 PolarHBondContact O-N 3.32Å
229P85.4Confident92.3Very high130 Ų13067 Ų6784%0.84437%0.37SS*.THydrogen-bonded Turntrans-51.4123.7176.2-27.835.4000111.9
230G81.4Confident92.5Very high88 Ų8866.6 Ų66.691%0.90737%0.368SS*.THydrogen-bonded Turntrans92.2-4.7-178.100000115.5V228V228-G230 PolarHBondContact O-N 2.96Å; V228-G230 VanDerWaalsContact O-N 3.16Å
231C83.3Confident92.8Very high82 Ų8261.8 Ų61.855%0.55435%0.351SS*.  trans-112.2136177.1-62.60000111.6V228 A233V228-C231 HydrophobicContact CB-CB 4.39Å; V228-C231 PolarHBondContact O-N 3.32Å; C231-A233 PolarHBondContact O-N 3.41Å; C231-A233 VanDerWaalsContact O-N 3.14Å
232N82.3Confident92.9Very high178 Ų17858.4 Ų58.495%0.95233%0.333SS*.  trans-84.980.1172.3-77.8-18.1000110.2
233A89.3Confident93.2Very high13 Ų1358.2 Ų58.211%0.10733%0.332CS..  trans-79138.5173.700000111.6E225 P227 C231 T235E225-A233 HydrophobicContact CB-CB 4.1Å; E225-A233 WeakPolarHBondContact O-CB 3.5Å; P227-A233 HydrophobicContact CB-CB 4.2Å; C231-A233 PolarHBondContact O-N 3.41Å; C231-A233 VanDerWaalsContact O-N 3.14Å; A233-T235 PolarHBondContact O-N 3.11Å
234R93.9Very high93.5Very high85 Ų8554.1 Ų54.132%0.32131%0.31SS..  trans-75.7117.9166.7-176.2173-178.6-129.910.9108L136 D137 I224 E225L136-R234 HydrophobicContact CD2-CG 4.26Å; D137-R234 IonicContact OD1-NH2 3.92Å; D137-R234 PolarHBondContact OD1-NH2 2.87Å; I224-R234 VanDerWaalsContact CA-O 3.3Å; I224-R234 WeakPolarHBondContact CA-O 3.48Å; E225-R234 PolarHBondContact N-O 2.88Å
235T95.4Very high93.7Very high6 Ų653.8 Ų53.84%0.03731%0.308CS..  trans-160.1166.6-179.4-162.90000109.4E225 P227 A233E225-T235 WeakPolarHBondContact O-CB 3.35Å; P227-T235 HydrophobicContact CB-CG2 4.49Å; P227-T235 HydrophobicContact CG-CG2 4.07Å; A233-T235 PolarHBondContact O-N 3.11Å
236L97.6Very high93.7Very high4 Ų450.2 Ų50.22%0.02129%0.294CS..  trans-60.9136.5177.6-69.9172.7000111.5T132 A135 L136 L145 L147 S240 L261T132-L236 HydrophobicContact CG2-CD1 4.15Å; T132-L236 HydrophobicContact CG2-CD2 4.11Å; T132-L236 HydrophobicContact CG2-CG 4.34Å; A135-L236 HydrophobicContact CB-CD2 3.65Å; L136-L236 HydrophobicContact CD2-CD2 4.16Å; L136-L236 HydrophobicContact CD2-CG 4.47Å; L136-L236 HydrophobicContact CG-CD2 4.18Å; L145-L236 HydrophobicContact CD1-CD1 4.02Å; L145-L236 HydrophobicContact CD1-CD2 3.89Å; L147-L236 HydrophobicContact CD1-CD1 4.31Å; L236-S240 WeakPolarHBondContact CD1-OG 3.17Å; L236-L261 HydrophobicContact CB-CD2 4.22Å; L236-L261 HydrophobicContact CD1-CD1 4.14Å; L236-L261 HydrophobicContact CD1-CD2 3.77Å; L236-L261 HydrophobicContact CG-CD2 3.98Å
237K96.9Very high93.7Very high114 Ų11450 Ų5050%0.49630%0.299SS..  trans-97.3-22.5179.9-57.2-54.1177.5-168.60113P139 K265P139-K237 HydrophobicContact CB-CB 4.33Å; P139-K237 HydrophobicContact CB-CG 4.32Å; K237-K265 WeakPolarHBondContact O-CD 3.42Å; K237-K265 PolarHBondContact O-NZ 3.49Å
238C98.3Very high93.9Very high12 Ų1248.6 Ų48.68%0.08129%0.291CS..SBendtrans-86.6156.5175.957.60000112V142 S240V142-C238 WeakPolarHBondContact O-CB 3.37Å; C238-S240 PolarHBondContact O-OG 3.47Å
239P98.7Very high94.2Very high48 Ų4847.7 Ų47.731%0.31229%0.287SS..  trans-50.9139.1164-27.235.6000112.1E143 G144 L145 K265 F293 M297E143-P239 WeakPolarHBondContact O-CD 3.29Å; G144-P239 VanDerWaalsContact CA-O 3.27Å; G144-P239 WeakPolarHBondContact CA-O 3.48Å; L145-P239 PolarHBondContact N-O 3.16Å; P239-K265 CarbonylContact C-O 3.41Å; P239-K265 VanDerWaalsContact CA-O 3.32Å; P239-K265 WeakPolarHBondContact CA-O 3.39Å; P239-F293 HydrophobicContact CB-CE2 3.81Å; P239-F293 HydrophobicContact CB-CZ 4.1Å; P239-F293 WeakPolarHBondContact O-CZ 3.37Å; P239-M297 HydrophobicContact CG-CG 4.31Å
240S98.8Very high94.7Very high1 Ų142.2 Ų42.21%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-135.4130.1-177.7-61.90000110.9L145 L236 C238 K265 T266 T267L145-S240 CarbonylContact O-C 3.43Å; L145-S240 WeakPolarHBondContact O-CA 3.25Å; L236-S240 WeakPolarHBondContact CD1-OG 3.17Å; C238-S240 PolarHBondContact O-OG 3.47Å; S240-K265 PolarHBondContact N-O 3.24Å; S240-T266 CarbonylContact O-C 3.59Å; S240-T266 VanDerWaalsContact O-CA 3.26Å; S240-T266 WeakPolarHBondContact O-CA 3.25Å; S240-T267 PolarHBondContact O-N 2.65Å
241L98.9Very high95.4Very high10 Ų1039 Ų395%0.05222%0.215CC..EExtended strand (participates in β ladder)trans-110.9106.6174176.156.4000108.7L145 M146 L147 V243 T267 L269 F293L145-L241 PolarHBondContact O-N 3.3Å; M146-L241 CarbonylContact C-O 3.56Å; M146-L241 WeakPolarHBondContact CA-O 3.23Å; M146-L241 HydrophobicContact CE-CD2 3.42Å; M146-L241 VanDerWaalsContact CE-CD2 3.42Å; M146-L241 HydrophobicContact CE-CG 4.27Å; L147-L241 PolarHBondContact N-O 3.3Å; L241-V243 HydrophobicContact CD1-CG2 4.43Å; L241-V243 HydrophobicContact CD2-CG2 4.4Å; L241-V243 HydrophobicContact CG-CG2 3.9Å; L241-T267 HydrophobicContact CD1-CG2 4.07Å; L241-L269 HydrophobicContact CD1-CB 4Å; L241-F293 HydrophobicContact CB-CD2 3.77Å; L241-F293 HydrophobicContact CB-CE2 3.93Å; L241-F293 HydrophobicContact CB-CG 4.09Å; L241-F293 HydrophobicContact CB-CZ 4.38Å; L241-F293 HydrophobicContact CD2-CB 3.87Å; L241-F293 HydrophobicContact CD2-CD2 4.42Å; L241-F293 HydrophobicContact CD2-CG 4.13Å
242L98.9Very high96Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-83.9130173.3-54.5-174.7000109.1L147 I150 V254 C257 N258 L261 T266 T267 L268 L269L147-L242 HydrophobicContact CB-CD2 3.82Å; L147-L242 HydrophobicContact CD1-CD2 3.76Å; L147-L242 HydrophobicContact CG-CD2 4.3Å; L147-L242 WeakPolarHBondContact O-CA 3.47Å; I150-L242 HydrophobicContact CG2-CD2 4.1Å; L242-V254 HydrophobicContact CB-CG1 4.04Å; L242-C257 HydrophobicContact CD1-CB 4.4Å; L242-N258 HydrophobicContact CD1-CB 3.64Å; L242-L261 HydrophobicContact CD1-CD1 4.14Å; L242-L261 HydrophobicContact CD2-CD1 4.03Å; L242-L261 HydrophobicContact CG-CD1 4.4Å; L242-T266 HydrophobicContact CD1-CG2 4Å; L242-T266 HydrophobicContact CG-CG2 3.89Å; L242-T267 PolarHBondContact N-O 3.42Å; L242-L268 HydrophobicContact CB-CD1 3.89Å; L242-L269 PolarHBondContact O-N 2.87Å
243V98.9Very high96.7Very high0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-127.3135.1-178.4-173.70000110.1M146 L147 I148 N149 L241 L269 M271 P278 L286M146-V243 HydrophobicContact CE-CG2 4.33Å; M146-V243 HydrophobicContact CG-CG2 4.1Å; L147-V243 PolarHBondContact O-N 2.81Å; I148-V243 WeakPolarHBondContact CA-O 3.42Å; I148-V243 HydrophobicContact CG1-CB 4.18Å; N149-V243 PolarHBondContact N-O 3.11Å; L241-V243 HydrophobicContact CD1-CG2 4.43Å; L241-V243 HydrophobicContact CD2-CG2 4.4Å; L241-V243 HydrophobicContact CG-CG2 3.9Å; V243-L269 WeakPolarHBondContact CA-O 3.34Å; V243-L269 HydrophobicContact CG1-CD2 4.5Å; V243-L269 HydrophobicContact CG2-CB 4.47Å; V243-L269 HydrophobicContact CG2-CD2 4.44Å; V243-M271 HydrophobicContact CG1-CG 4.12Å; V243-M271 HydrophobicContact CG1-SD 3.68Å; V243-P278 HydrophobicContact CG1-CB 4.35Å; V243-P278 HydrophobicContact CG1-CG 4.42Å; V243-L286 HydrophobicContact CG1-CD1 3.92Å; V243-L286 HydrophobicContact CG2-CD1 4.15Å
244V98.8Very high97.1Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-151.5141.3173.966.50000110.4V251 V254 L269 K270 M271V244-V251 HydrophobicContact CG2-CB 4.43Å; V244-V251 HydrophobicContact CG2-CG2 3.82Å; V244-V254 HydrophobicContact CB-CB 4.11Å; V244-V254 HydrophobicContact CB-CG1 4.05Å; V244-V254 HydrophobicContact CB-CG2 4.05Å; V244-V254 HydrophobicContact CG1-CB 4.23Å; V244-V254 HydrophobicContact CG1-CG1 4Å; V244-V254 HydrophobicContact CG2-CB 4.4Å; V244-V254 HydrophobicContact CG2-CG2 4.15Å; V244-L269 PolarHBondContact N-O 3.28Å; V244-L269 VanDerWaalsContact N-O 3.1Å; V244-K270 HydrophobicContact CG1-CG 4Å; V244-K270 CarbonylContact O-C 3.58Å; V244-K270 WeakPolarHBondContact O-CA 3.45Å; V244-M271 PolarHBondContact O-N 2.91Å
245G98.3Very high97.3Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-73146.9169.100000111.2N247 S248 V251 C274G245-N247 PolarHBondContact O-N 2.96Å; G245-S248 VanDerWaalsContact O-CB 3.29Å; G245-S248 WeakPolarHBondContact O-CB 3.45Å; G245-S248 PolarHBondContact O-N 3.43Å; G245-S248 VanDerWaalsContact O-N 3.16Å; G245-V251 WeakPolarHBondContact O-CG2 3.47Å; G245-C274 CarbonylContact C-O 3.32Å; G245-C274 WeakPolarHBondContact CA-O 3.46Å
246D95.8Very high97.3Very high61 Ų6135.4 Ų35.433%0.32620%0.196SC..THydrogen-bonded Turntrans-63.3-24.6178.959.7-7.6000113.9M271 A272 D273 C274D246-M271 PolarHBondContact N-O 3.14Å; D246-A272 WeakPolarHBondContact OD2-CA 3.36Å; D246-D273 PolarHBondContact OD1-N 3.37Å; D246-D273 PolarHBondContact OD2-N 3.39Å; D246-C274 PolarHBondContact N-O 2.68Å; D246-C274 PolarHBondContact OD1-N 3.14Å
247N95Very high97.3Very high90 Ų9035.2 Ų35.248%0.48120%0.195SC..THydrogen-bonded Turntrans-102.99.9176.4-58.5-60.6000113.6G245 C274G245-N247 PolarHBondContact O-N 2.96Å; N247-C274 PolarHBondContact N-O 2.95Å
248S96.8Very high97.4Very high11 Ų1131.5 Ų31.58%0.07718%0.181CC..  trans-71.8144.6178.9173.70000111.9N149 G245 A250 V251N149-S248 PolarHBondContact OD1-OG 2.9Å; N149-S248 VanDerWaalsContact OD1-OG 3.09Å; G245-S248 VanDerWaalsContact O-CB 3.29Å; G245-S248 WeakPolarHBondContact O-CB 3.45Å; G245-S248 PolarHBondContact O-N 3.43Å; G245-S248 VanDerWaalsContact O-N 3.16Å; S248-A250 PolarHBondContact O-N 3.38Å; S248-A250 PolarHBondContact OG-N 3.37Å; S248-A250 VanDerWaalsContact OG-N 3.13Å; S248-V251 WeakPolarHBondContact O-CG2 3.41Å
249P95.3Very high97.3Very high68 Ų6834.1 Ų34.144%0.44220%0.197SC..THydrogen-bonded Turntrans-65.4-15.2171.328.9-35.1000113H179H179-P249 WeakPolarHBondContact O-CG 3.42Å
250A96.4Very high97.2Very high15 Ų1533.8 Ų33.812%0.12419%0.19CC..THydrogen-bonded Turntrans-934.4-175.800000114.7N149 S248 D252 A253 V254N149-A250 HydrophobicContact CB-CB 3.66Å; S248-A250 PolarHBondContact O-N 3.38Å; S248-A250 PolarHBondContact OG-N 3.37Å; S248-A250 VanDerWaalsContact OG-N 3.13Å; A250-D252 PolarHBondContact O-N 2.77Å; A250-A253 PolarHBondContact O-N 3.18Å; A250-V254 HydrophobicContact CB-CG2 4.35Å; A250-V254 WeakPolarHBondContact O-CG2 2.95Å; A250-V254 PolarHBondContact O-N 3.33Å
251V97.1Very high97.1Very high21 Ų2133.7 Ų33.713%0.12719%0.19CC..Hα-helixtrans-52.7-51.4-174.5170.20000112.3V244 G245 S248 V254 V255V244-V251 HydrophobicContact CG2-CB 4.43Å; V244-V251 HydrophobicContact CG2-CG2 3.82Å; G245-V251 WeakPolarHBondContact O-CG2 3.47Å; S248-V251 WeakPolarHBondContact O-CG2 3.41Å; V251-V254 PolarHBondContact O-N 2.8Å; V251-V255 HydrophobicContact CG1-CG2 4.49Å; V251-V255 VanDerWaalsContact O-CG2 3.28Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 3.25Å
252D95.8Very high97Very high133 Ų13334.6 Ų34.671%0.71120%0.195SC*.Hα-helixtrans-66.7-41.2-176.1-65.4-30.5000111.4A250 V254 V255 E256A250-D252 PolarHBondContact O-N 2.77Å; D252-V254 PolarHBondContact O-N 2.7Å; D252-V255 PolarHBondContact O-N 2.95Å; D252-E256 WeakPolarHBondContact O-CB 3.16Å; D252-E256 PolarHBondContact O-N 3.15Å
253A96.1Very high96.8Very high19 Ų1938.1 Ų38.116%0.15722%0.217CC..Hα-helixtrans-64.1-39.8177.900000112.6I150 N151 A250 E256 C257I150-A253 CarbonylContact O-C 3.6Å; N151-A253 HydrophobicContact CB-CB 3.87Å; A250-A253 PolarHBondContact O-N 3.18Å; A253-E256 PolarHBondContact O-N 2.94Å; A253-C257 WeakPolarHBondContact O-CB 3.02Å; A253-C257 PolarHBondContact O-N 3.43Å
254V98.3Very high96.7Very high0 Ų043.7 Ų43.70%025%0.252CS..Hα-helixtrans-70.2-39.6176.9174.10000111.2I150 L242 V244 A250 V251 D252 E256 C257 N258 L268I150-V254 HydrophobicContact CG2-CG2 4.19Å; I150-V254 WeakPolarHBondContact O-CG2 3.43Å; L242-V254 HydrophobicContact CB-CG1 4.04Å; V244-V254 HydrophobicContact CB-CB 4.11Å; V244-V254 HydrophobicContact CB-CG1 4.05Å; V244-V254 HydrophobicContact CB-CG2 4.05Å; V244-V254 HydrophobicContact CG1-CB 4.23Å; V244-V254 HydrophobicContact CG1-CG1 4Å; V244-V254 HydrophobicContact CG2-CB 4.4Å; V244-V254 HydrophobicContact CG2-CG2 4.15Å; A250-V254 HydrophobicContact CB-CG2 4.35Å; A250-V254 WeakPolarHBondContact O-CG2 2.95Å; A250-V254 PolarHBondContact O-N 3.33Å; V251-V254 PolarHBondContact O-N 2.8Å; D252-V254 PolarHBondContact O-N 2.7Å; V254-E256 VanDerWaalsContact C-N 3.33Å; V254-C257 WeakPolarHBondContact O-CB 3.42Å; V254-C257 PolarHBondContact O-N 2.94Å; V254-N258 PolarHBondContact O-N 3.15Å; V254-L268 HydrophobicContact CG1-CD1 3.7Å
255V97.4Very high96.6Very high54 Ų5447.7 Ų47.733%0.32727%0.269SS..Hα-helixtrans-62.9-43.1174.3170.10000110.4V251 D252 N258 T259 L268V251-V255 HydrophobicContact CG1-CG2 4.49Å; V251-V255 VanDerWaalsContact O-CG2 3.28Å; V251-V255 WeakPolarHBondContact O-CG2 3.45Å; V251-V255 PolarHBondContact O-N 3.25Å; D252-V255 PolarHBondContact O-N 2.95Å; V255-N258 VanDerWaalsContact O-CB 3.3Å; V255-N258 WeakPolarHBondContact O-CB 3.32Å; V255-N258 PolarHBondContact O-N 3.29Å; V255-N258 VanDerWaalsContact O-N 3.15Å; V255-T259 WeakPolarHBondContact O-CG2 3.3Å; V255-T259 PolarHBondContact O-N 2.8Å; V255-T259 VanDerWaalsContact O-N 3.14Å; V255-L268 HydrophobicContact CG2-CD2 4.32Å
256E95.6Very high96.6Very high82 Ų8248.3 Ų48.338%0.38327%0.273SS..Hα-helixtrans-65-38175.7178.758.4-172.100112.2D252 A253 V254 N258 T259 K260D252-E256 WeakPolarHBondContact O-CB 3.16Å; D252-E256 PolarHBondContact O-N 3.15Å; A253-E256 PolarHBondContact O-N 2.94Å; V254-E256 VanDerWaalsContact C-N 3.33Å; E256-N258 VanDerWaalsContact C-N 3.29Å; E256-N258 PolarHBondContact O-N 3.43Å; E256-T259 PolarHBondContact O-N 2.81Å; E256-T259 PolarHBondContact O-OG1 3.4Å; E256-T259 PolarHBondContact OE2-OG1 2.91Å; E256-K260 WeakPolarHBondContact OE1-CE 3.34Å; E256-K260 IonicContact OE1-NZ 2.81Å; E256-K260 PolarHBondContact OE1-NZ 3.26Å
257C97.6Very high96.7Very high0 Ų049.5 Ų49.50%028%0.283CS..Hα-helixtrans-58-44.3170.7-169.40000111.6I150 P152 L242 A253 V254 T259 K260 L261I150-C257 HydrophobicContact CG2-CB 4.02Å; P152-C257 HydrophobicContact CB-CB 4.44Å; P152-C257 HydrophobicContact CG-CB 3.78Å; L242-C257 HydrophobicContact CD1-CB 4.4Å; A253-C257 WeakPolarHBondContact O-CB 3.02Å; A253-C257 PolarHBondContact O-N 3.43Å; V254-C257 WeakPolarHBondContact O-CB 3.42Å; V254-C257 PolarHBondContact O-N 2.94Å; C257-T259 VanDerWaalsContact C-N 3.28Å; C257-T259 PolarHBondContact O-N 2.69Å; C257-K260 PolarHBondContact O-N 3.43Å; C257-K260 VanDerWaalsContact O-N 3.08Å; C257-L261 PolarHBondContact O-N 3.23Å
258N98.2Very high96.9Very high37 Ų3747.8 Ų47.820%0.19827%0.273CS..Hα-helixtrans-60.3-36.7178.1-169.643.2000112.1R226 L242 V254 V255 E256 K260 L261 L268R226-N258 PolarHBondContact NH2-O 3.09Å; L242-N258 HydrophobicContact CD1-CB 3.64Å; V254-N258 PolarHBondContact O-N 3.15Å; V255-N258 VanDerWaalsContact O-CB 3.3Å; V255-N258 WeakPolarHBondContact O-CB 3.32Å; V255-N258 PolarHBondContact O-N 3.29Å; V255-N258 VanDerWaalsContact O-N 3.15Å; E256-N258 VanDerWaalsContact C-N 3.29Å; E256-N258 PolarHBondContact O-N 3.43Å; N258-K260 PolarHBondContact O-N 3.3Å; N258-L261 PolarHBondContact O-N 3.36Å; N258-L268 HydrophobicContact CB-CD2 4.37Å
259T96.6Very high97Very high66 Ų6649.8 Ų49.841%0.40528%0.283SS..Hα-helixtrans-62.4-27178.2750000112.2R226 V255 E256 C257R226-T259 PolarHBondContact NE-O 3.42Å; R226-T259 PolarHBondContact NH2-O 2.98Å; V255-T259 WeakPolarHBondContact O-CG2 3.3Å; V255-T259 PolarHBondContact O-N 2.8Å; V255-T259 VanDerWaalsContact O-N 3.14Å; E256-T259 PolarHBondContact O-N 2.81Å; E256-T259 PolarHBondContact O-OG1 3.4Å; E256-T259 PolarHBondContact OE2-OG1 2.91Å; C257-T259 VanDerWaalsContact C-N 3.28Å; C257-T259 PolarHBondContact O-N 2.69Å
260K96.4Very high97.1Very high41 Ų4151.8 Ų51.818%0.17829%0.285CS..Hα-helixtrans-92.3-9.5-178.4-61178-172.1175.50115C153 I224 E225 R226 E256 C257 N258C153-K260 PolarHBondContact SG-NZ 2.97Å; I224-K260 HydrophobicContact CD1-CB 3.92Å; I224-K260 HydrophobicContact CG1-CB 3.89Å; I224-K260 HydrophobicContact CG1-CD 4.18Å; E225-K260 CarbonylContact C-O 3.55Å; R226-K260 VanDerWaalsContact CA-O 3.29Å; R226-K260 WeakPolarHBondContact CA-O 3.41Å; R226-K260 PolarHBondContact N-O 2.82Å; E256-K260 WeakPolarHBondContact OE1-CE 3.34Å; E256-K260 IonicContact OE1-NZ 2.81Å; E256-K260 PolarHBondContact OE1-NZ 3.26Å; C257-K260 PolarHBondContact O-N 3.43Å; C257-K260 VanDerWaalsContact O-N 3.08Å; N258-K260 PolarHBondContact O-N 3.3Å
261L97.2Very high97.2Very high0 Ų051.6 Ų51.60%028%0.281CS..SBendtrans-97.7159.8-178.3-67.3179.8000113.4I224 R226 L236 L242 C257 N258 P263 T266I224-L261 HydrophobicContact CD1-CD2 3.81Å; I224-L261 HydrophobicContact CD1-CG 4.28Å; R226-L261 PolarHBondContact NE-O 2.99Å; R226-L261 PolarHBondContact NH2-O 2.99Å; L236-L261 HydrophobicContact CB-CD2 4.22Å; L236-L261 HydrophobicContact CD1-CD1 4.14Å; L236-L261 HydrophobicContact CD1-CD2 3.77Å; L236-L261 HydrophobicContact CG-CD2 3.98Å; L242-L261 HydrophobicContact CD1-CD1 4.14Å; L242-L261 HydrophobicContact CD2-CD1 4.03Å; L242-L261 HydrophobicContact CG-CD1 4.4Å; C257-L261 PolarHBondContact O-N 3.23Å; N258-L261 PolarHBondContact O-N 3.36Å; L261-P263 WeakPolarHBondContact O-CD 3.43Å; L261-T266 HydrophobicContact CB-CG2 4.01Å; L261-T266 WeakPolarHBondContact CB-OG1 3.41Å; L261-T266 HydrophobicContact CD1-CG2 3.76Å
262D96.1Very high97.2Very high29 Ų2953.2 Ų53.216%0.15530%0.297CS..  trans-66.2114.8174.8-174.2-20.4000110.4P227 T264 K265 T266P227-D262 HydrophobicContact CG-CB 3.72Å; D262-T264 VanDerWaalsContact CG-OG1 3.25Å; D262-T264 PolarHBondContact O-N 3.45Å; D262-T264 WeakPolarHBondContact OD1-CB 3.29Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 PolarHBondContact OD1-OG1 3.28Å; D262-T264 PolarHBondContact OD2-OG1 3.07Å; D262-K265 PolarHBondContact O-N 3.22Å; D262-T266 WeakPolarHBondContact O-CB 3.18Å; D262-T266 PolarHBondContact O-N 3.16Å; D262-T266 PolarHBondContact O-OG1 3.48Å
263P96.3Very high97.1Very high73 Ų7353.3 Ų53.347%0.47430%0.297SS..THydrogen-bonded Turntrans-68.3-15.6-177.530.3-37.3000113.6L261 K265L261-P263 WeakPolarHBondContact O-CD 3.43Å; P263-K265 VanDerWaalsContact C-N 3.29Å
264T95.6Very high97.1Very high117 Ų11752.4 Ų52.472%0.71829%0.29SS*.THydrogen-bonded Turntrans-78.6-17.7177.668.80000112.7D262D262-T264 VanDerWaalsContact CG-OG1 3.25Å; D262-T264 PolarHBondContact O-N 3.45Å; D262-T264 WeakPolarHBondContact OD1-CB 3.29Å; D262-T264 PolarHBondContact OD1-N 3.04Å; D262-T264 PolarHBondContact OD1-OG1 3.28Å; D262-T264 PolarHBondContact OD2-OG1 3.07Å
265K96.5Very high96.9Very high84 Ų8452.8 Ų52.837%0.36529%0.294SS..THydrogen-bonded Turntrans-119.1-11.7-178.1-63.9-177.1177.9-175.80113.2K237 P239 S240 D262 P263K237-K265 WeakPolarHBondContact O-CD 3.42Å; K237-K265 PolarHBondContact O-NZ 3.49Å; P239-K265 CarbonylContact C-O 3.41Å; P239-K265 VanDerWaalsContact CA-O 3.32Å; P239-K265 WeakPolarHBondContact CA-O 3.39Å; S240-K265 PolarHBondContact N-O 3.24Å; D262-K265 PolarHBondContact O-N 3.22Å; P263-K265 VanDerWaalsContact C-N 3.29Å
266T98.4Very high96.7Very high14 Ų1450.2 Ų50.29%0.08628%0.278CS..EExtended strand (participates in β ladder)trans-111.5130.8-172.8-50.50000110.9S240 L242 L261 D262S240-T266 CarbonylContact O-C 3.59Å; S240-T266 VanDerWaalsContact O-CA 3.26Å; S240-T266 WeakPolarHBondContact O-CA 3.25Å; L242-T266 HydrophobicContact CD1-CG2 4Å; L242-T266 HydrophobicContact CG-CG2 3.89Å; L261-T266 HydrophobicContact CB-CG2 4.01Å; L261-T266 WeakPolarHBondContact CB-OG1 3.41Å; L261-T266 HydrophobicContact CD1-CG2 3.76Å; D262-T266 WeakPolarHBondContact O-CB 3.18Å; D262-T266 PolarHBondContact O-N 3.16Å; D262-T266 PolarHBondContact O-OG1 3.48Å
267T98.6Very high96.7Very high86 Ų8646.3 Ų46.353%0.52826%0.26SS..EExtended strand (participates in β ladder)trans-116.7133.3171.6-600000109.3S240 L241 L242S240-T267 PolarHBondContact O-N 2.65Å; L241-T267 HydrophobicContact CD1-CG2 4.07Å; L242-T267 PolarHBondContact N-O 3.42Å
268L98.7Very high96.7Very high53 Ų5346.3 Ų46.328%0.27726%0.26SS..EExtended strand (participates in β ladder)trans-100.9121.1171.9174.562.5000109.8L242 V254 V255 N258 K270L242-L268 HydrophobicContact CB-CD1 3.89Å; V254-L268 HydrophobicContact CG1-CD1 3.7Å; V255-L268 HydrophobicContact CG2-CD2 4.32Å; N258-L268 HydrophobicContact CB-CD2 4.37Å; L268-K270 HydrophobicContact CD2-CG 4.49Å; L268-K270 HydrophobicContact CG-CG 4.34Å
269L98.6Very high96.7Very high54 Ų5444.6 Ų44.628%0.28325%0.251SS..EExtended strand (participates in β ladder)trans-110.7105.6174177.362.7000109.8L241 L242 V243 V244 M271 A289L241-L269 HydrophobicContact CD1-CB 4Å; L242-L269 PolarHBondContact O-N 2.87Å; V243-L269 WeakPolarHBondContact CA-O 3.34Å; V243-L269 HydrophobicContact CG1-CD2 4.5Å; V243-L269 HydrophobicContact CG2-CB 4.47Å; V243-L269 HydrophobicContact CG2-CD2 4.44Å; V244-L269 PolarHBondContact N-O 3.28Å; V244-L269 VanDerWaalsContact N-O 3.1Å; L269-M271 HydrophobicContact CD2-CG 4.18Å; L269-M271 HydrophobicContact CD2-SD 4.48Å; L269-M271 HydrophobicContact CG-CG 4Å; L269-A289 HydrophobicContact CD2-CB 3.46Å; L269-A289 VanDerWaalsContact CD2-CB 3.46Å
270K98.3Very high96.6Very high110 Ų11043 Ų4348%0.47824%0.241SC..EExtended strand (participates in β ladder)trans-88.5114.4166.5-64-171.866.4169.90108.8V244 L268V244-K270 HydrophobicContact CG1-CG 4Å; V244-K270 CarbonylContact O-C 3.58Å; V244-K270 WeakPolarHBondContact O-CA 3.45Å; L268-K270 HydrophobicContact CD2-CG 4.49Å; L268-K270 HydrophobicContact CG-CG 4.34Å
271M98Very high96.5Very high10 Ų1043.5 Ų43.55%0.04925%0.245CC..EExtended strand (participates in β ladder)trans-85.1118.7-179.4-65.4-173.264.100109.7V243 V244 D246 L269 C274 P278 Q282 K285 L286V243-M271 HydrophobicContact CG1-CG 4.12Å; V243-M271 HydrophobicContact CG1-SD 3.68Å; V244-M271 PolarHBondContact O-N 2.91Å; D246-M271 PolarHBondContact N-O 3.14Å; L269-M271 HydrophobicContact CD2-CG 4.18Å; L269-M271 HydrophobicContact CD2-SD 4.48Å; L269-M271 HydrophobicContact CG-CG 4Å; M271-C274 HydrophobicContact CB-CB 3.73Å; M271-C274 WeakPolarHBondContact O-CB 3.48Å; M271-P278 HydrophobicContact CE-CB 4.49Å; M271-P278 HydrophobicContact SD-CB 3.67Å; M271-Q282 HydrophobicContact CE-CB 3.66Å; M271-K285 HydrophobicContact CE-CB 3.73Å; M271-L286 HydrophobicContact CE-CB 4.29Å; M271-L286 HydrophobicContact SD-CB 4.42Å; M271-L286 HydrophobicContact SD-CD1 4.2Å
272A96.8Very high96.5Very high55 Ų5544.7 Ų44.746%0.45525%0.251SS..THydrogen-bonded Turntrans-71.8145.6178.500000111.7D246 C274 Q282D246-A272 WeakPolarHBondContact OD2-CA 3.36Å; A272-C274 PolarHBondContact O-N 3.15Å; A272-Q282 PolarHBondContact O-NE2 3.3Å; A272-Q282 PolarHBondContact O-OE1 3.39Å
273D94Very high96.5Very high135 Ų13544.3 Ų44.372%0.72225%0.25SC*.THydrogen-bonded Turntrans57.136.8-179.2-49.8-56.4000112.4D246 Q282D246-D273 PolarHBondContact OD1-N 3.37Å; D246-D273 PolarHBondContact OD2-N 3.39Å; D273-Q282 PolarHBondContact O-NE2 2.97Å
274C95.5Very high96.6Very high1 Ų141.5 Ų41.51%0.00723%0.234CC..  trans-126.9133-170.8-170.10000110.5G245 D246 N247 M271 A272 P278G245-C274 CarbonylContact C-O 3.32Å; G245-C274 WeakPolarHBondContact CA-O 3.46Å; D246-C274 PolarHBondContact N-O 2.68Å; D246-C274 PolarHBondContact OD1-N 3.14Å; N247-C274 PolarHBondContact N-O 2.95Å; M271-C274 HydrophobicContact CB-CB 3.73Å; M271-C274 WeakPolarHBondContact O-CB 3.48Å; A272-C274 PolarHBondContact O-N 3.15Å; C274-P278 WeakPolarHBondContact SG-CA 3.3Å
275G93.4Very high96.7Very high8 Ų840.6 Ų40.68%0.08222%0.22CC..  trans-84.2-149.5-178.900000112.5E185 M277 D281E185-G275 WeakPolarHBondContact OE2-CA 3.4Å; G275-M277 VanDerWaalsContact C-N 3.3Å; G275-M277 PolarHBondContact O-N 3.11Å; G275-D281 VanDerWaalsContact CA-OD2 3.23Å; G275-D281 WeakPolarHBondContact CA-OD2 3.25Å; G275-D281 PolarHBondContact N-OD2 3.3Å
276G93.6Very high96.7Very high0 Ų036.6 Ų36.60%020%0.203CC..SBendtrans-72.8-18.2-176.500000114.5N149 L180 E185 P278N149-G276 PolarHBondContact ND2-O 3.19Å; L180-G276 CarbonylContact O-C 3.05Å; L180-G276 WeakPolarHBondContact O-CA 3.49Å; E185-G276 PolarHBondContact OE2-N 3.2Å; G276-P278 WeakPolarHBondContact O-CD 3.33Å
277M96.3Very high96.7Very high0 Ų036.1 Ų36.10%020%0.2CC..  trans-126.877.7-174-67-71.5-88.300111.7L52 L180 F181 F196 G275 Q279 V280 D281L52-M277 HydrophobicContact CD1-CE 3.43Å; L52-M277 VanDerWaalsContact CD1-CE 3.43Å; L52-M277 HydrophobicContact CD1-SD 4.46Å; L52-M277 HydrophobicContact CD2-CE 4.34Å; L180-M277 HydrophobicContact CD2-SD 4.26Å; F181-M277 HydrophobicContact CD1-CG 4.23Å; F181-M277 HydrophobicContact CE1-CB 4.17Å; F181-M277 HydrophobicContact CE1-CG 3.52Å; F181-M277 HydrophobicContact CZ-CG 3.89Å; F196-M277 HydrophobicContact CE1-CE 3.94Å; F196-M277 HydrophobicContact CZ-CE 4.05Å; G275-M277 VanDerWaalsContact C-N 3.3Å; G275-M277 PolarHBondContact O-N 3.11Å; M277-Q279 VanDerWaalsContact C-OE1 3.28Å; M277-Q279 PolarHBondContact O-N 3.04Å; M277-Q279 VanDerWaalsContact O-N 3.08Å; M277-Q279 PolarHBondContact SD-NE2 3.47Å; M277-V280 HydrophobicContact CB-CB 3.98Å; M277-V280 HydrophobicContact CB-CG2 3.94Å; M277-V280 HydrophobicContact CE-CG2 4.36Å; M277-V280 WeakPolarHBondContact O-CA 3.48Å; M277-V280 PolarHBondContact O-N 3.07Å; M277-D281 PolarHBondContact O-N 2.71Å
278P97.6Very high96.6Very high0 Ų033.7 Ų33.70%018%0.183CC..Hα-helixtrans-56.4-30.9-174.7-26.233.8000115.9I148 V243 M271 C274 G276 V280 Q282I148-P278 HydrophobicContact CG2-CG 3.95Å; V243-P278 HydrophobicContact CG1-CB 4.35Å; V243-P278 HydrophobicContact CG1-CG 4.42Å; M271-P278 HydrophobicContact CE-CB 4.49Å; M271-P278 HydrophobicContact SD-CB 3.67Å; C274-P278 WeakPolarHBondContact SG-CA 3.3Å; G276-P278 WeakPolarHBondContact O-CD 3.33Å; P278-V280 PolarHBondContact O-N 3.21Å; P278-Q282 CarbonylContact O-C 3.5Å; P278-Q282 VanDerWaalsContact O-C 3.32Å; P278-Q282 PolarHBondContact O-N 3.24Å
279Q97.5Very high96.6Very high0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-74.3-13.4177.382.9-71.5-0.600113.6C57 L61 I124 I148 M277 L286C57-Q279 WeakPolarHBondContact O-CG 3.44Å; C57-Q279 PolarHBondContact O-NE2 2.75Å; L61-Q279 HydrophobicContact CB-CB 4.08Å; L61-Q279 HydrophobicContact CD2-CB 4.19Å; I124-Q279 HydrophobicContact CD1-CG 3.83Å; I148-Q279 HydrophobicContact CD1-CB 4.48Å; M277-Q279 VanDerWaalsContact C-OE1 3.28Å; M277-Q279 PolarHBondContact O-N 3.04Å; M277-Q279 VanDerWaalsContact O-N 3.08Å; M277-Q279 PolarHBondContact SD-NE2 3.47Å; Q279-L286 HydrophobicContact CB-CD2 3.47Å; Q279-L286 VanDerWaalsContact CB-CD2 3.47Å
280V95.9Very high96.5Very high34 Ų3429.4 Ų29.421%0.20616%0.163CC..Hα-helixtrans-103.2-45.7174.6-176.20000110.4P60 L192 F196 M277 P278 P283P60-V280 HydrophobicContact CB-CG2 4.22Å; P60-V280 HydrophobicContact CG-CG2 4.12Å; L192-V280 HydrophobicContact CD1-CG1 4.02Å; F196-V280 HydrophobicContact CZ-CG2 4.25Å; M277-V280 HydrophobicContact CB-CB 3.98Å; M277-V280 HydrophobicContact CB-CG2 3.94Å; M277-V280 HydrophobicContact CE-CG2 4.36Å; M277-V280 WeakPolarHBondContact O-CA 3.48Å; M277-V280 PolarHBondContact O-N 3.07Å; P278-V280 PolarHBondContact O-N 3.21Å; V280-P283 WeakPolarHBondContact O-CD 3.39Å
281D93.8Very high96.4Very high50 Ų5024.4 Ų24.427%0.26714%0.141SC..Hα-helixtrans-71.3-42.3-176.3-65.5-22.7000112.7G275 M277G275-D281 VanDerWaalsContact CA-OD2 3.23Å; G275-D281 WeakPolarHBondContact CA-OD2 3.25Å; G275-D281 PolarHBondContact N-OD2 3.3Å; M277-D281 PolarHBondContact O-N 2.71Å
282Q96.6Very high96.3Very high26 Ų2627.8 Ų27.812%0.12115%0.154CC..SBendtrans-138.653.1-172.3-59-169.712.900112.6M271 A272 D273 P278 G284 K285 L286M271-Q282 HydrophobicContact CE-CB 3.66Å; A272-Q282 PolarHBondContact O-NE2 3.3Å; A272-Q282 PolarHBondContact O-OE1 3.39Å; D273-Q282 PolarHBondContact O-NE2 2.97Å; P278-Q282 CarbonylContact O-C 3.5Å; P278-Q282 VanDerWaalsContact O-C 3.32Å; P278-Q282 PolarHBondContact O-N 3.24Å; Q282-G284 VanDerWaalsContact C-N 3.32Å; Q282-G284 PolarHBondContact O-N 3.03Å; Q282-K285 HydrophobicContact CB-CB 4.33Å; Q282-K285 HydrophobicContact CB-CD 4.24Å; Q282-K285 HydrophobicContact CG-CD 4.49Å; Q282-K285 PolarHBondContact O-N 2.86Å; Q282-K285 VanDerWaalsContact O-N 3.14Å; Q282-L286 PolarHBondContact O-N 3.2Å
283P97.2Very high96.4Very high20 Ų2026.3 Ų26.313%0.1314%0.137CC..Hα-helixtrans-56.3-39.6-174.120.8-33.3000113.5L61 H64 V280 L286 T287L61-P283 HydrophobicContact CD1-CB 4.06Å; H64-P283 HydrophobicContact CB-CB 4.1Å; V280-P283 WeakPolarHBondContact O-CD 3.39Å; P283-L286 PolarHBondContact O-N 3.34Å; P283-T287 VanDerWaalsContact O-CB 3.29Å; P283-T287 WeakPolarHBondContact O-CB 3.3Å; P283-T287 PolarHBondContact O-N 3.07Å; P283-T287 PolarHBondContact O-OG1 2.98Å
284G96.8Very high96.5Very high14 Ų1419.9 Ų19.914%0.14410%0.103CC..Hα-helixtrans-63.4-43.4177.900000113.7H64 Q282 T287 E288H64-G284 VanDerWaalsContact CE1-CA 3.47Å; H64-G284 WeakPolarHBondContact CE1-CA 3.49Å; Q282-G284 VanDerWaalsContact C-N 3.32Å; Q282-G284 PolarHBondContact O-N 3.03Å; G284-T287 PolarHBondContact O-N 3.11Å; G284-E288 PolarHBondContact O-N 2.74Å
285K97.6Very high96.5Very high98 Ų9821.8 Ų21.843%0.42611%0.112SC..Hα-helixtrans-67.6-39.7176.4-77.3168.5169.31790111.4M271 Q282 T287 E288 A289M271-K285 HydrophobicContact CE-CB 3.73Å; Q282-K285 HydrophobicContact CB-CB 4.33Å; Q282-K285 HydrophobicContact CB-CD 4.24Å; Q282-K285 HydrophobicContact CG-CD 4.49Å; Q282-K285 PolarHBondContact O-N 2.86Å; Q282-K285 VanDerWaalsContact O-N 3.14Å; K285-T287 VanDerWaalsContact C-N 3.34Å; K285-E288 PolarHBondContact O-N 2.82Å; K285-A289 PolarHBondContact O-N 3.24Å
286L98.3Very high96.5Very high1 Ų124.8 Ų24.81%0.00514%0.143CC..Hα-helixtrans-65.2-39.7175.7-176.560.4000111.5L61 M146 I148 V243 M271 Q279 Q282 P283 A289 F290L61-L286 HydrophobicContact CD1-CB 4.26Å; L61-L286 HydrophobicContact CD1-CD2 4.06Å; L61-L286 HydrophobicContact CD1-CG 4.28Å; L61-L286 HydrophobicContact CD2-CD2 4.05Å; M146-L286 HydrophobicContact CE-CD1 3.85Å; M146-L286 HydrophobicContact SD-CD1 3.87Å; M146-L286 HydrophobicContact SD-CG 4.38Å; I148-L286 HydrophobicContact CD1-CD2 3.81Å; V243-L286 HydrophobicContact CG1-CD1 3.92Å; V243-L286 HydrophobicContact CG2-CD1 4.15Å; M271-L286 HydrophobicContact CE-CB 4.29Å; M271-L286 HydrophobicContact SD-CB 4.42Å; M271-L286 HydrophobicContact SD-CD1 4.2Å; Q279-L286 HydrophobicContact CB-CD2 3.47Å; Q279-L286 VanDerWaalsContact CB-CD2 3.47Å; Q282-L286 PolarHBondContact O-N 3.2Å; P283-L286 PolarHBondContact O-N 3.34Å; L286-A289 PolarHBondContact O-N 2.98Å; L286-F290 WeakPolarHBondContact O-CB 3.43Å; L286-F290 PolarHBondContact O-N 3.41Å
287T98Very high96.6Very high3 Ų326.8 Ų26.82%0.01815%0.153CC..Hα-helixtrans-63.5-43175.6-58.60000111.5L61 D66 M67 I70 P283 G284 K285 A289 F290 K291L61-T287 WeakPolarHBondContact CD1-OG1 3.5Å; D66-T287 HydrophobicContact CB-CG2 3.82Å; D66-T287 WeakPolarHBondContact O-CG2 3.36Å; M67-T287 HydrophobicContact CB-CG2 4.1Å; M67-T287 HydrophobicContact CE-CG2 3.99Å; M67-T287 HydrophobicContact SD-CG2 4.03Å; I70-T287 HydrophobicContact CD1-CG2 4.07Å; P283-T287 VanDerWaalsContact O-CB 3.29Å; P283-T287 WeakPolarHBondContact O-CB 3.3Å; P283-T287 PolarHBondContact O-N 3.07Å; P283-T287 PolarHBondContact O-OG1 2.98Å; G284-T287 PolarHBondContact O-N 3.11Å; K285-T287 VanDerWaalsContact C-N 3.34Å; T287-A289 VanDerWaalsContact C-N 3.34Å; T287-A289 PolarHBondContact O-N 3.31Å; T287-F290 PolarHBondContact O-N 2.94Å; T287-K291 WeakPolarHBondContact O-CB 3.06Å; T287-K291 PolarHBondContact O-N 2.88Å
288E96.3Very high96.5Very high35 Ų3529.4 Ų29.416%0.16418%0.18CC..Hα-helixtrans-59.7-45174.3-176.4174.8-171.600111.1G284 K285 K291 Y292 R307G284-E288 PolarHBondContact O-N 2.74Å; K285-E288 PolarHBondContact O-N 2.82Å; E288-K291 PolarHBondContact O-N 3.48Å; E288-Y292 HydrophobicContact CG-CD2 4.27Å; E288-Y292 HydrophobicContact CG-CE2 3.5Å; E288-Y292 WeakPolarHBondContact O-CD2 3.15Å; E288-Y292 PolarHBondContact O-N 3.44Å; E288-Y292 VanDerWaalsContact O-N 3.11Å; E288-Y292 PolarHBondContact OE1-OH 3.05Å; E288-R307 WeakPolarHBondContact OE1-CD 3.36Å; E288-R307 IonicContact OE1-NE 3.96Å; E288-R307 IonicContact OE2-NE 3.17Å; E288-R307 PolarHBondContact OE2-NE 3.2Å; E288-R307 VanDerWaalsContact OE2-NE 3.17Å
289A97.7Very high96.3Very high17 Ų1731.5 Ų31.514%0.1419%0.188CC..Hα-helixtrans-62.2-42.9175.400000112.5L269 K285 L286 T287 K291 Y292 F293L269-A289 HydrophobicContact CD2-CB 3.46Å; L269-A289 VanDerWaalsContact CD2-CB 3.46Å; K285-A289 PolarHBondContact O-N 3.24Å; L286-A289 PolarHBondContact O-N 2.98Å; T287-A289 VanDerWaalsContact C-N 3.34Å; T287-A289 PolarHBondContact O-N 3.31Å; A289-K291 VanDerWaalsContact C-N 3.33Å; A289-K291 PolarHBondContact O-N 3.48Å; A289-Y292 PolarHBondContact O-N 3.2Å; A289-F293 PolarHBondContact O-N 3.27Å
290F98.1Very high95.8Very high1 Ų131.8 Ų31.80%0.00419%0.189CC..Hα-helixtrans-62.8-40.6176.1-172.5-128.6000111.6I44 M67 I70 I120 M122 M146 L286 T287 Y292 F293 I294I44-F290 HydrophobicContact CD1-CE1 3.72Å; I44-F290 HydrophobicContact CD1-CZ 3.93Å; I44-F290 HydrophobicContact CG1-CE1 4.43Å; I44-F290 HydrophobicContact CG1-CZ 4.14Å; I44-F290 HydrophobicContact CG2-CZ 4.46Å; M67-F290 HydrophobicContact CE-CD1 4.23Å; M67-F290 HydrophobicContact SD-CD1 4.36Å; I70-F290 HydrophobicContact CD1-CD1 3.67Å; I70-F290 HydrophobicContact CD1-CE1 4.32Å; I70-F290 HydrophobicContact CG2-CD1 4.41Å; I70-F290 HydrophobicContact CG2-CE1 4.04Å; I120-F290 HydrophobicContact CG2-CE2 3.94Å; I120-F290 HydrophobicContact CG2-CZ 4.11Å; M122-F290 HydrophobicContact CG-CE2 4.21Å; M122-F290 HydrophobicContact CG-CZ 4.34Å; M122-F290 HydrophobicContact SD-CD1 4.33Å; M122-F290 HydrophobicContact SD-CD2 4.33Å; M122-F290 HydrophobicContact SD-CE1 3.89Å; M122-F290 HydrophobicContact SD-CE2 3.88Å; M122-F290 HydrophobicContact SD-CZ 3.64Å; M146-F290 HydrophobicContact CE-CB 3.62Å; M146-F290 HydrophobicContact CE-CD2 3.75Å; M146-F290 HydrophobicContact CE-CG 4.08Å; M146-F290 HydrophobicContact SD-CD2 4.24Å; L286-F290 WeakPolarHBondContact O-CB 3.43Å; L286-F290 PolarHBondContact O-N 3.41Å; T287-F290 PolarHBondContact O-N 2.94Å; F290-Y292 PolarHBondContact O-N 2.78Å; F290-F293 HydrophobicContact CD2-CD1 4.19Å; F290-F293 HydrophobicContact CE2-CD1 4.22Å; F290-F293 WeakPolarHBondContact O-CB 3.01Å; F290-F293 PolarHBondContact O-N 3.23Å; F290-F293 VanDerWaalsContact O-N 3.16Å; F290-I294 HydrophobicContact CD2-CG2 4.15Å; F290-I294 HydrophobicContact CE1-CG2 4.17Å; F290-I294 HydrophobicContact CE2-CG2 3.69Å; F290-I294 HydrophobicContact CZ-CG2 3.7Å; F290-I294 WeakPolarHBondContact O-CG1 3.11Å; F290-I294 PolarHBondContact O-N 2.99Å
291K96.1Very high94.9Very high5 Ų535.4 Ų35.42%0.02221%0.213CC..Hα-helixtrans-58.6-45.7175.3-174.6161.562.4174.30111.8E69 I70 T287 E288 A289 F293 I294 Q295 A303 S304 T306E69-K291 IonicContact OE2-NZ 2.8Å; E69-K291 PolarHBondContact OE2-NZ 3.27Å; I70-K291 HydrophobicContact CD1-CB 4.12Å; T287-K291 WeakPolarHBondContact O-CB 3.06Å; T287-K291 PolarHBondContact O-N 2.88Å; E288-K291 PolarHBondContact O-N 3.48Å; A289-K291 VanDerWaalsContact C-N 3.33Å; A289-K291 PolarHBondContact O-N 3.48Å; K291-F293 VanDerWaalsContact C-N 3.31Å; K291-F293 PolarHBondContact O-N 3.17Å; K291-I294 WeakPolarHBondContact O-CG1 3.46Å; K291-I294 PolarHBondContact O-N 2.87Å; K291-Q295 WeakPolarHBondContact O-CB 3.49Å; K291-Q295 VanDerWaalsContact O-CG 3.24Å; K291-Q295 WeakPolarHBondContact O-CG 3.44Å; K291-Q295 PolarHBondContact O-N 3.32Å; K291-A303 HydrophobicContact CD-CB 4.3Å; K291-S304 PolarHBondContact NZ-O 3.43Å; K291-T306 PolarHBondContact NZ-OG1 3.06Å
292Y96.1Very high93.9Very high80 Ų8038.6 Ų38.631%0.31424%0.24SC..Hα-helixtrans-65.3-36.2176.5-62.6-33.5000112.6E288 A289 F290 Q295 G296 M305E288-Y292 HydrophobicContact CG-CD2 4.27Å; E288-Y292 HydrophobicContact CG-CE2 3.5Å; E288-Y292 WeakPolarHBondContact O-CD2 3.15Å; E288-Y292 PolarHBondContact O-N 3.44Å; E288-Y292 VanDerWaalsContact O-N 3.11Å; E288-Y292 PolarHBondContact OE1-OH 3.05Å; A289-Y292 PolarHBondContact O-N 3.2Å; F290-Y292 PolarHBondContact O-N 2.78Å; Y292-Q295 PolarHBondContact O-N 3.47Å; Y292-G296 PolarHBondContact O-N 2.68Å; Y292-M305 HydrophobicContact CD1-CE 3.88Å; Y292-M305 HydrophobicContact CD1-SD 3.91Å; Y292-M305 HydrophobicContact CE1-CE 3.06Å; Y292-M305 HydrophobicContact CE1-SD 3.25Å; Y292-M305 WeakPolarHBondContact CE1-SD 3.14Å; Y292-M305 HydrophobicContact CE2-CE 4.49Å; Y292-M305 VanDerWaalsContact CZ-CE 3.41Å; Y292-M305 WeakPolarHBondContact OH-CE 2.99Å
293F97.9Very high92.8Very high25 Ų2538 Ų3811%0.1124%0.239CC..Hα-helixtrans-62.6-49.8176.6-179.8-114.7000112.1I120 L145 P239 L241 A289 F290 K291 Q295 G296 M297I120-F293 HydrophobicContact CG2-CE1 4.41Å; L145-F293 WeakPolarHBondContact O-CZ 3.28Å; P239-F293 HydrophobicContact CB-CE2 3.81Å; P239-F293 HydrophobicContact CB-CZ 4.1Å; P239-F293 WeakPolarHBondContact O-CZ 3.37Å; L241-F293 HydrophobicContact CB-CD2 3.77Å; L241-F293 HydrophobicContact CB-CE2 3.93Å; L241-F293 HydrophobicContact CB-CG 4.09Å; L241-F293 HydrophobicContact CB-CZ 4.38Å; L241-F293 HydrophobicContact CD2-CB 3.87Å; L241-F293 HydrophobicContact CD2-CD2 4.42Å; L241-F293 HydrophobicContact CD2-CG 4.13Å; A289-F293 PolarHBondContact O-N 3.27Å; F290-F293 HydrophobicContact CD2-CD1 4.19Å; F290-F293 HydrophobicContact CE2-CD1 4.22Å; F290-F293 WeakPolarHBondContact O-CB 3.01Å; F290-F293 PolarHBondContact O-N 3.23Å; F290-F293 VanDerWaalsContact O-N 3.16Å; K291-F293 VanDerWaalsContact C-N 3.31Å; K291-F293 PolarHBondContact O-N 3.17Å; F293-Q295 VanDerWaalsContact C-N 3.32Å; F293-Q295 PolarHBondContact O-N 3.04Å; F293-G296 PolarHBondContact O-N 3.03Å; F293-M297 HydrophobicContact CD1-CE 3.86Å; F293-M297 HydrophobicContact CE1-CE 3.67Å; F293-M297 HydrophobicContact CE1-SD 4.22Å; F293-M297 HydrophobicContact CZ-CE 4.26Å; F293-M297 HydrophobicContact CZ-SD 4.24Å; F293-M297 PolarHBondContact O-N 3.22Å
294I96.3Very high91.3Very high0 Ų040.3 Ų40.30%026%0.256CS..Hα-helixtrans-67.5-32.2177.766-175.6000112.5I70 F74 I120 F290 K291 M297 G298 Y299 M300I70-I294 HydrophobicContact CD1-CD1 4.05Å; I70-I294 HydrophobicContact CG1-CD1 4.14Å; I70-I294 HydrophobicContact CG2-CD1 4.08Å; F74-I294 HydrophobicContact CE2-CD1 3.9Å; I120-I294 HydrophobicContact CD1-CG2 4.1Å; F290-I294 HydrophobicContact CD2-CG2 4.15Å; F290-I294 HydrophobicContact CE1-CG2 4.17Å; F290-I294 HydrophobicContact CE2-CG2 3.69Å; F290-I294 HydrophobicContact CZ-CG2 3.7Å; F290-I294 WeakPolarHBondContact O-CG1 3.11Å; F290-I294 PolarHBondContact O-N 2.99Å; K291-I294 WeakPolarHBondContact O-CG1 3.46Å; K291-I294 PolarHBondContact O-N 2.87Å; I294-M297 HydrophobicContact CB-CE 4.16Å; I294-M297 HydrophobicContact CG2-CE 3.81Å; I294-M297 WeakPolarHBondContact O-CB 3.32Å; I294-M297 PolarHBondContact O-N 3.21Å; I294-G298 PolarHBondContact O-N 3.26Å; I294-Y299 WeakPolarHBondContact O-CB 3.36Å; I294-Y299 PolarHBondContact O-N 3.32Å; I294-M300 HydrophobicContact CD1-CG 4.48Å; I294-M300 HydrophobicContact CD1-SD 3.51Å; I294-M300 VanDerWaalsContact CD1-SD 3.51Å
295Q94.8Very high89.6Confident41 Ų4142.7 Ų42.719%0.19226%0.264CS..Hα-helixtrans-64.6-39.7171.4-76.7179.3-23.600112.7K291 Y292 F293 M297 G298 Y299 M300 A303K291-Q295 WeakPolarHBondContact O-CB 3.49Å; K291-Q295 VanDerWaalsContact O-CG 3.24Å; K291-Q295 WeakPolarHBondContact O-CG 3.44Å; K291-Q295 PolarHBondContact O-N 3.32Å; Y292-Q295 PolarHBondContact O-N 3.47Å; F293-Q295 VanDerWaalsContact C-N 3.32Å; F293-Q295 PolarHBondContact O-N 3.04Å; Q295-M297 PolarHBondContact O-N 3.26Å; Q295-G298 PolarHBondContact O-N 3.13Å; Q295-Y299 VanDerWaalsContact CA-O 3.28Å; Q295-Y299 WeakPolarHBondContact CA-O 3.4Å; Q295-M300 PolarHBondContact NE2-O 3.1Å; Q295-A303 PolarHBondContact NE2-O 2.96Å
296G95.3Very high87.8Confident71 Ų7140.1 Ų40.173%0.73226%0.256SS*.Hα-helixtrans-60.4-26.2173.200000113.3Y292 F293 G298Y292-G296 PolarHBondContact O-N 2.68Å; F293-G296 PolarHBondContact O-N 3.03Å; G296-G298 VanDerWaalsContact C-N 3.31Å
297M95.2Very high85.7Confident42 Ų4247.9 Ų47.921%0.20729%0.286CS..THydrogen-bonded Turntrans-84.5-2.1173.9-61.6-172.6-72.200113.5I120 P239 F293 I294 Q295 Y299I120-M297 HydrophobicContact CD1-CE 3.68Å; I120-M297 HydrophobicContact CG1-CE 3.97Å; I120-M297 HydrophobicContact CG2-CE 4.17Å; P239-M297 HydrophobicContact CG-CG 4.31Å; F293-M297 HydrophobicContact CD1-CE 3.86Å; F293-M297 HydrophobicContact CE1-CE 3.67Å; F293-M297 HydrophobicContact CE1-SD 4.22Å; F293-M297 HydrophobicContact CZ-CE 4.26Å; F293-M297 HydrophobicContact CZ-SD 4.24Å; F293-M297 PolarHBondContact O-N 3.22Å; I294-M297 HydrophobicContact CB-CE 4.16Å; I294-M297 HydrophobicContact CG2-CE 3.81Å; I294-M297 WeakPolarHBondContact O-CB 3.32Å; I294-M297 PolarHBondContact O-N 3.21Å; Q295-M297 PolarHBondContact O-N 3.26Å; M297-Y299 HydrophobicContact CB-CD2 3.87Å; M297-Y299 HydrophobicContact CB-CE2 4.11Å
298G94.1Very high83.3Confident55 Ų5552.9 Ų52.957%0.56731%0.311SS*.THydrogen-bonded Turntrans90.86.3-179.700000114.6I294 Q295 G296I294-G298 PolarHBondContact O-N 3.26Å; Q295-G298 PolarHBondContact O-N 3.13Å; G296-G298 VanDerWaalsContact C-N 3.31Å
299Y92.8Very high80.8Confident44 Ų4453 Ų5317%0.17332%0.319CS..  trans-87.5153.3174.1-61.8-65.1000111.9P42 F74 I120 E143 I294 Q295 M297 P301P42-Y299 VanDerWaalsContact CD-CZ 3.48Å; P42-Y299 VanDerWaalsContact CD-OH 3.26Å; P42-Y299 WeakPolarHBondContact CD-OH 3.5Å; P42-Y299 HydrophobicContact CG-CE1 4.35Å; P42-Y299 HydrophobicContact CG-CE2 3.89Å; F74-Y299 HydrophobicContact CE1-CG 4.35Å; F74-Y299 HydrophobicContact CZ-CD1 4.22Å; F74-Y299 HydrophobicContact CZ-CD2 4.32Å; F74-Y299 AromaticContact CZ-CG 3.81Å; F74-Y299 HydrophobicContact CZ-CG 3.81Å; I120-Y299 HydrophobicContact CD1-CD2 4.21Å; I120-Y299 HydrophobicContact CD1-CE2 4.28Å; E143-Y299 WeakPolarHBondContact OE2-CE2 3.48Å; E143-Y299 PolarHBondContact OE2-OH 2.87Å; I294-Y299 WeakPolarHBondContact O-CB 3.36Å; I294-Y299 PolarHBondContact O-N 3.32Å; Q295-Y299 VanDerWaalsContact CA-O 3.28Å; Q295-Y299 WeakPolarHBondContact CA-O 3.4Å; M297-Y299 HydrophobicContact CB-CD2 3.87Å; M297-Y299 HydrophobicContact CB-CE2 4.11Å; Y299-P301 VanDerWaalsContact C-CD 3.49Å
300M87.8Confident78.5Confident5 Ų561.4 Ų61.43%0.02535%0.347CS..  trans49.647.6177.4-64.718058.700115.1E69 I70 H73 F74 I294 Q295 S302 A303E69-M300 HydrophobicContact CG-CE 3.91Å; I70-M300 HydrophobicContact CB-SD 4.43Å; I70-M300 HydrophobicContact CG1-CE 4.09Å; I70-M300 HydrophobicContact CG1-SD 4.18Å; I70-M300 HydrophobicContact CG2-SD 4.48Å; H73-M300 HydrophobicContact CB-CG 4Å; H73-M300 HydrophobicContact CB-SD 4.02Å; F74-M300 HydrophobicContact CD2-SD 4.14Å; F74-M300 HydrophobicContact CE2-CG 3.95Å; F74-M300 HydrophobicContact CE2-SD 3.67Å; I294-M300 HydrophobicContact CD1-CG 4.48Å; I294-M300 HydrophobicContact CD1-SD 3.51Å; I294-M300 VanDerWaalsContact CD1-SD 3.51Å; Q295-M300 PolarHBondContact NE2-O 3.1Å; M300-S302 PolarHBondContact O-N 3.28Å; M300-A303 HydrophobicContact CB-CB 3.91Å; M300-A303 HydrophobicContact CE-CB 3.6Å; M300-A303 WeakPolarHBondContact O-CB 3.48Å; M300-A303 PolarHBondContact O-N 3.05Å; M300-A303 VanDerWaalsContact O-N 3.14Å
301P76.9Confident75.9Confident110 Ų11065.8 Ų65.871%0.71438%0.377SS*.THydrogen-bonded Turntrans-66.1-22.9-175.928.7-36.4000113.6Y299Y299-P301 VanDerWaalsContact C-CD 3.49Å
302S72.6Confident73.7Confident118 Ų11875.9 Ų75.983%0.82542%0.415SS*.THydrogen-bonded Turntrans-94.1-3179.5-50.40000113.7M300 S304M300-S302 PolarHBondContact O-N 3.28Å; S302-S304 PolarHBondContact O-N 2.57Å
303A74.1Confident71.6Confident12 Ų1277.9 Ų77.910%0.09944%0.436CS..SBendtrans-68.7127.8178.700000109.7E69 K291 Q295 M300E69-A303 WeakPolarHBondContact OE1-CA 3.48Å; E69-A303 VanDerWaalsContact OE1-CB 3.24Å; E69-A303 WeakPolarHBondContact OE1-CB 3.46Å; K291-A303 HydrophobicContact CD-CB 4.3Å; Q295-A303 PolarHBondContact NE2-O 2.96Å; M300-A303 HydrophobicContact CB-CB 3.91Å; M300-A303 HydrophobicContact CE-CB 3.6Å; M300-A303 WeakPolarHBondContact O-CB 3.48Å; M300-A303 PolarHBondContact O-N 3.05Å; M300-A303 VanDerWaalsContact O-N 3.14Å
304S65.6Low69.1Low70 Ų7081 Ų8149%0.4947%0.467SS..  trans-71.2137.5-173.2-168.50000110.2E69 K291 S302 T306 A309E69-S304 PolarHBondContact OE1-N 2.91Å; K291-S304 PolarHBondContact NZ-O 3.43Å; S302-S304 PolarHBondContact O-N 2.57Å; S304-T306 PolarHBondContact O-N 3.17Å; S304-T306 VanDerWaalsContact O-N 3.08Å; S304-A309 WeakPolarHBondContact OG-CB 3.23Å
305M60.5Low66.5Low63 Ų6386.5 Ų86.531%0.3151%0.505SS..  trans-66.2107.6173.4-60.2-75.2-69.800108.3Y292 R307 L308 A309Y292-M305 HydrophobicContact CD1-CE 3.88Å; Y292-M305 HydrophobicContact CD1-SD 3.91Å; Y292-M305 HydrophobicContact CE1-CE 3.06Å; Y292-M305 HydrophobicContact CE1-SD 3.25Å; Y292-M305 WeakPolarHBondContact CE1-SD 3.14Å; Y292-M305 HydrophobicContact CE2-CE 4.49Å; Y292-M305 VanDerWaalsContact CZ-CE 3.41Å; Y292-M305 WeakPolarHBondContact OH-CE 2.99Å; M305-R307 PolarHBondContact O-N 3.14Å; M305-L308 HydrophobicContact CB-CB 3.78Å; M305-L308 HydrophobicContact CB-CD1 3.82Å; M305-L308 HydrophobicContact CB-CG 4.41Å; M305-L308 HydrophobicContact CE-CD1 3.73Å; M305-L308 HydrophobicContact CG-CD1 3.92Å; M305-L308 PolarHBondContact O-N 3.38Å; M305-L308 VanDerWaalsContact O-N 3.11Å; M305-A309 WeakPolarHBondContact O-CB 3.36Å; M305-A309 PolarHBondContact O-N 2.84Å
306T59.3Low63.8Low44 Ų4487.8 Ų87.827%0.2753%0.53SS..Hα-helixtrans-53.9-35.4-169-39.90000112.6K291 S304K291-T306 PolarHBondContact NZ-OG1 3.06Å; S304-T306 PolarHBondContact O-N 3.17Å; S304-T306 VanDerWaalsContact O-N 3.08Å
307R54.7Low61Low165 Ų16589.2 Ų89.262%0.62353%0.528SS*.Hα-helixtrans-84.1-37.8177.3-74.4-174.1178.5-120-5.2115.3E288 M305 A309 R310 S311E288-R307 WeakPolarHBondContact OE1-CD 3.36Å; E288-R307 IonicContact OE1-NE 3.96Å; E288-R307 IonicContact OE2-NE 3.17Å; E288-R307 PolarHBondContact OE2-NE 3.2Å; E288-R307 VanDerWaalsContact OE2-NE 3.17Å; M305-R307 PolarHBondContact O-N 3.14Å; R307-A309 VanDerWaalsContact C-N 3.32Å; R307-R310 PolarHBondContact O-N 3Å; R307-S311 PolarHBondContact O-N 3.08Å; R307-S311 VanDerWaalsContact O-N 3.17Å
308L46.5Very low58Low107 Ų10793 Ų9356%0.5656%0.559SS**Hα-helixtrans-71-29.7178.3-85.6142.5000111.8M305M305-L308 HydrophobicContact CB-CB 3.78Å; M305-L308 HydrophobicContact CB-CD1 3.82Å; M305-L308 HydrophobicContact CB-CG 4.41Å; M305-L308 HydrophobicContact CE-CD1 3.73Å; M305-L308 HydrophobicContact CG-CD1 3.92Å; M305-L308 PolarHBondContact O-N 3.38Å; M305-L308 VanDerWaalsContact O-N 3.11Å
309A44.7Very low55.5Low39 Ų3997.3 Ų97.332%0.32257%0.568SS.*Hα-helixtrans-70.4-41.8173.800000112.5S304 M305 R307 S311 R312S304-A309 WeakPolarHBondContact OG-CB 3.23Å; M305-A309 WeakPolarHBondContact O-CB 3.36Å; M305-A309 PolarHBondContact O-N 2.84Å; R307-A309 VanDerWaalsContact C-N 3.32Å; A309-S311 VanDerWaalsContact C-N 3.27Å; A309-S311 PolarHBondContact O-N 3.04Å; A309-R312 PolarHBondContact O-N 3.41Å; A309-R312 VanDerWaalsContact O-N 3.13Å
310R49.2Very low53Low193 Ų193101.6 Ų101.673%0.72860%0.598SS**Hα-helixtrans-66.1-26.3173.9-86.4-173.9-178.1173.34.7113.5R307 R312 T313R307-R310 PolarHBondContact O-N 3Å; R310-R312 VanDerWaalsContact C-N 3.28Å; R310-R312 PolarHBondContact O-N 3.15Å; R310-T313 PolarHBondContact O-OG1 3.4Å
311S43.7Very low50.6Low92 Ų92106.7 Ų106.764%0.64363%0.634SS**Hα-helixtrans-70.8-22.9173.5-175.50000112.9R307 A309 T313R307-S311 PolarHBondContact O-N 3.08Å; R307-S311 VanDerWaalsContact O-N 3.17Å; A309-S311 VanDerWaalsContact C-N 3.27Å; A309-S311 PolarHBondContact O-N 3.04Å; S311-T313 PolarHBondContact O-N 2.72Å
312R50.6Low48.9Very low217 Ų217109.8 Ų109.882%0.81965%0.645SS**G310 helixtrans-82.2-6.7-177.5-76.6-180162-175.5-3.9114.9A309 R310A309-R312 PolarHBondContact O-N 3.41Å; A309-R312 VanDerWaalsContact O-N 3.13Å; R310-R312 VanDerWaalsContact C-N 3.28Å; R310-R312 PolarHBondContact O-N 3.15Å
313T50.5Low47Very low122 Ų122107.7 Ų107.775%0.74864%0.642SS**G310 helixtrans-94.710.3-178.5470000115.3R310 S311R310-T313 PolarHBondContact O-OG1 3.4Å; S311-T313 PolarHBondContact O-N 2.72Å
314A45.1Very low45.4Very low91 Ų91114.5 Ų114.575%0.75268%0.677SS**G310 helixtrans-102.317.9174.900000115.1
315S42.3Very low44Very low115 Ų115123 Ų12380%0.80470%0.698SS**  trans-131.761174.5-57.50000112.1
316G37.5Very low42.9Very low69 Ų69124.9 Ų124.971%0.71172%0.718SS**  trans-79.6147.3144.400000108.6
317S37.4Very low41.8Very low101 Ų101134.2 Ų134.271%0.70675%0.748SS**  cis177.9127.84.3350000104.2
318S32.8Very low40.8Very low122 Ų122130.9 Ų130.985%0.85375%0.75SS**  trans-113.387.115665.70000107.9T320S318-T320 PolarHBondContact O-N 3.1Å
319I40.2Very low40.1Very low145 Ų145133.8 Ų133.874%0.74476%0.76SS**  trans-62.1124.2171.9-66.9158.3000107.8S321I319-S321 PolarHBondContact O-N 2.98Å
320T40.2Very low39.7Very low133 Ų133137.6 Ų137.682%0.81678%0.78SS**  trans-60.5110.4169.247.60000109.5S318S318-T320 PolarHBondContact O-N 3.1Å
321S38.3Very low38.9Very low112 Ų112136.2 Ų136.278%0.78378%0.781SS**  trans-93.4110.616459.30000109.1I319 G323I319-S321 PolarHBondContact O-N 2.98Å; S321-G323 PolarHBondContact O-N 3.23Å
322D41.3Very low38.4Very low176 Ų176138.4 Ų138.494%0.94179%0.786SS**  trans-53.5126.4166.4-91.4-39.3000111
323G33.3Very low37.5Very low74 Ų74131.9 Ų131.976%0.76379%0.785SS**  trans-142.885.1-178.600000111S321 R325S321-G323 PolarHBondContact O-N 3.23Å; G323-R325 PolarHBondContact O-N 3.35Å
324N39Very low36.7Very low155 Ų155133 Ų13383%0.82979%0.787SS**  trans-43.8122175.7-162.537.5000114.2
325R37.8Very low36.3Very low249 Ų249139.4 Ų139.494%0.9479%0.792SS**  trans-160.1126.3153.5-107.6168.7-165.7-175.24.7112.5G323G323-R325 PolarHBondContact O-N 3.35Å
326S36.9Very low35.8Very low102 Ų102138.5 Ų138.571%0.71379%0.785SS**  trans-78.4168.8-175.9-42.80000114.9
327R35.6Very low35.7Very low240 Ų240146.2 Ų146.291%0.90679%0.793SS**  trans84140.3166.4-59.1177.7166.6178.4-4.6114.4
328S33.2Very low35.5Very low94 Ų94146.2 Ų146.266%0.65779%0.793SS**  cis179.2154.9-2.846.50000108.5
329H33.6Very low35.5Very low169 Ų169148.2 Ų148.278%0.78279%0.789SS**  trans71.6114.8148.2-80.9-69.4000122.8
330T35.5Very low35.2Very low119 Ų119147.2 Ų147.273%0.7379%0.789SS**  69.9121125.256.50000123.7
331H31.9Very low34.9Very low164 Ų164148.3 Ų148.376%0.75979%0.79SS**  79.4124117.7-154.760.7000121.1
332D34.6Very low34.6Very low138 Ų138151.9 Ų151.974%0.73880%0.795SS**  trans28.9133.7141.4-64.6-11.7000121.4
333G30.9Very low34.1Very low79 Ų79146.9 Ų146.981%0.81478%0.784SS**  trans-175.865.3168.400000114.6
334N33Very low34Very low146 Ų146148.5 Ų148.578%0.78178%0.784SS**  trans-62.4134.6163.7-172.633.2000111
335R36.6Very low33.7Very low226 Ų226152.3 Ų152.385%0.85379%0.787SS**  trans164.5111.7144.3-92.8163.5-175.8-175.92.9109.8
336S33.2Very low33.4Very low96 Ų96146 Ų14667%0.67178%0.781SS**  86.3109.182-69.80000114.6
337R33.8Very low33.3Very low230 Ų230152.1 Ų152.187%0.86879%0.789SS**  trans42126.9130.4-66.7-179.4166.8175.3-4.2119.4
338S34.6Very low33.2Very low102 Ų102146.5 Ų146.571%0.71379%0.786SS**  172.9126.9108.141.40000109.2
339H32.8Very low33.1Very low164 Ų164149.3 Ų149.376%0.75979%0.788SS**  57.1128105.5-61.5-70.4000111.9
340T32.8Very low33.1Very low123 Ų123148 Ų14876%0.75579%0.792SS**  cis175.1148.833.919.60000104.2
341N33.8Very low32.8Very low156 Ų156147.5 Ų147.583%0.83479%0.789SS**  174.1138.5103.1-141.57000111.1
342E33Very low32.8Very low188 Ų188146.7 Ų146.788%0.87979%0.786SS**  trans-66.5161.6170.3-64.9-175.1129.500112.2
343G30.9Very low32.6Very low70 Ų70148.5 Ų148.572%0.72279%0.79SS**  trans179.867.4170.300000116
344S31.4Very low32.4Very low109 Ų109147.7 Ų147.776%0.76278%0.782SS**  trans43.9119.1141.664.40000122.1
345R32.7Very low32.3Very low234 Ų234149.2 Ų149.288%0.88378%0.784SS**  41.1125.1123.1-61.4178.7173.2174.4-1.8118.4
346S31.1Very low32.2Very low118 Ų118143.8 Ų143.883%0.82578%0.776SS**  178.9135.398-74.20000113.2
347R34.8Very low32Very low230 Ų230147.3 Ų147.387%0.86879%0.787SS**  trans-60.8147.7157.9-87.5171.7157.4169.4-7.6110.2
348S32.3Very low31.9Very low122 Ų122140.3 Ų140.385%0.85378%0.778SS**  trans-133.3119.9147.843.10000109.7
349H31.7Very low31.6Very low152 Ų152142.5 Ų142.570%0.70479%0.787SS**  trans-79.5146.4157.9-98.2-88.8000108.2
350T32.9Very low31.7Very low141 Ų141138.6 Ų138.687%0.86578%0.784SS**  trans-132.3104.2146.240.30000108.5
351T29.3Very low31.7Very low109 Ų109139.6 Ų139.667%0.66979%0.785SS**  trans-58.2161.4138.634.50000108.8
352E32.2Very low31.6Very low148 Ų148139.9 Ų139.969%0.69279%0.786SS**  cis-177.3147.337.1-138.6174.9-138.200108.1
353Q29.9Very low31.6Very low176 Ų176137.6 Ų137.682%0.82278%0.78SS**  123.1138.8122.1-87.2169.420.500109.3
354G28.2Very low31.7Very low62 Ų62141 Ų14164%0.63979%0.786SS**  cis148.3152.69.500000109.1
355H30.8Very low31.8Very low178 Ų178142.2 Ų142.282%0.82478%0.784SS**  trans88114.1175.2-63.2-60.1000117.5
356T33.1Very low31.8Very low112 Ų112140.6 Ų140.669%0.68779%0.787SS**  cis61.4110.444.175.80000115.1
357D29.2Very low31.9Very low170 Ų170140.3 Ų140.391%0.90979%0.785SS**  -157.2145.7123.3-111.9-17.6000112.8
358A31.3Very low31.8Very low82 Ų82132.6 Ų132.668%0.67878%0.777SS**  trans-110154.2-17900000110.1
359T30.2Very low32.4Very low148 Ų148133.4 Ų133.491%0.90878%0.779SS**  trans166159.9146.525.90000108.7
360A33.7Very low32.7Very low83 Ų83135.8 Ų135.869%0.68679%0.788SS**  cis-173.8145.7-48.100000105.8
361N32.5Very low32.7Very low144 Ų144134.9 Ų134.977%0.7779%0.787SS**  trans63.8125.8154.4-75.72.4000122.8
362N31.3Very low33Very low161 Ų161134.2 Ų134.286%0.86179%0.792SS**  -165.1138.196.3-94.8-21.1000114
363N33Very low33.1Very low141 Ų141136.1 Ų136.175%0.75480%0.801SS**  trans-65160.5169.9-82.6-14.4000113.4
364V34.9Very low33.4Very low140 Ų140134.4 Ų134.485%0.84880%0.802SS**  -157.3142113.3176.40000110.6
365D32.8Very low33.7Very low136 Ų136136.6 Ų136.673%0.72781%0.808SS**  trans-55.5154.4-176.6-58.4-67.9000119.2
366Q33.2Very low34.3Very low200 Ų200137.9 Ų137.994%0.93584%0.835SS**  -159.4145.6117.6-113.317520.500114
367S33.2Very low34.3Very low111 Ų111139.2 Ų139.278%0.77684%0.842SS**  trans-74.9148-161.947.50000117.7
368G31.6Very low34.6Very low69 Ų69137.6 Ų137.671%0.71184%0.839SS**  trans-71.7-165.9165.400000114.9
369P44.4Very low34.8Very low138 Ų138140.7 Ų140.790%0.89685%0.848SS**  -138.8172.569.135.1-16.6000116.9
370K38.1Very low35.1Very low203 Ų203140.2 Ų140.288%0.88384%0.844SS**  trans-93.9170.1-171.9-70.3179.7171.5-177.60114.9
371S34.6Very low35.1Very low122 Ų122143.8 Ų143.885%0.85385%0.854SS**  trans117.8138.5148.7-75.20000113.9
372A34.3Very low35.3Very low94 Ų94143.8 Ų143.878%0.77786%0.86SS**  cis-153.6154.416.500000112
373E34Very low35.6Very low189 Ų189142.6 Ų142.688%0.88386%0.86SS**  trans-68.2145.4159.2-66169.6137.400111
374V37Very low35.8Very low139 Ų139142.7 Ų142.784%0.84287%0.868SS**  trans-144.8122.2147.5-179.50000108.6
375S33.9Very low35.9Very low109 Ų109142.9 Ų142.976%0.76287%0.869SS**  trans-82.3140163.1-57.30000110.7
376C43.5Very low36.2Very low205 Ų205143.5 Ų143.5100%1.38588%0.882SS**  trans-151.10141.4-88.40000107.4

Retrieved 376 of 376 residues in 215.5 ms (Link to these results)

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