A0A077Z1P8_TRITR Loading...

Cell division protein kinase 10

AlphaFold DB , UniProt , Accession A0A077Z1P8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.2Very low28.5Very low243 Ų243175.7 Ų175.7100%1.19786%0.864SS**  0124.50-81-177.3165.600108.5
2S32.5Very low28.4Very low118 Ų118171.5 Ų171.583%0.82586%0.855SS**  trans58.1126.3173.1-148.10000116.6
3S34.8Very low28.2Very low111 Ų111172 Ų17278%0.77685%0.853SS**  cis-157.9137.324.8-113.60000112
4R26.4Very low28.3Very low242 Ų242168.1 Ų168.191%0.91385%0.847SS**  trans-71.4131166.8-72.7165.9162172.9-6.3110.1
5K28.7Very low28.2Very low207 Ų207166.1 Ų166.190%0.985%0.847SS**  trans171.982.3136.6-99.5176.1179.1-179.70111
6K26.3Very low28.2Very low214 Ų214167.1 Ų167.193%0.9385%0.853SS**  trans-142.994.2152.8-82.2-169.9179.8177.90108.3
7R27.5Very low28.2Very low238 Ų238163.1 Ų163.190%0.89885%0.851SS**  trans-155.3137.5166-82.3-166.5-177.4-165.2-0103.5
8L25.3Very low28.2Very low138 Ų138166.1 Ų166.172%0.72386%0.857SS**  cis-167.6124.33.3-149.185.5000102.7
9I27.8Very low28.2Very low168 Ų168163.5 Ų163.586%0.86285%0.854SS**  trans-133.490.8155.2-58.7179.2000104.5L11I9-L11 PolarHBondContact O-N 3.09Å
10S27.1Very low28.3Very low84 Ų84164.6 Ų164.659%0.58786%0.855SS**  trans-73.111316752.90000107.6V12S10-V12 PolarHBondContact O-N 3.3Å
11L26.5Very low28.5Very low170 Ų170166.3 Ų166.389%0.8986%0.856SS**  trans-64.5110.7161.3-78.3150.1000107.6I9I9-L11 PolarHBondContact O-N 3.09Å
12V27.4Very low28.8Very low125 Ų125162 Ų16276%0.75883%0.833SS**  trans-93.3114.3165178.80000106S10S10-V12 PolarHBondContact O-N 3.3Å
13E24.6Very low29Very low178 Ų178161.7 Ų161.783%0.83283%0.828SS**PPolyproline II helixtrans-62.8130.7169.8-72.4-177.8150.600109.8
14P30.3Very low29.6Very low118 Ų118160.1 Ų160.177%0.76681%0.813SS**PPolyproline II helixtrans-88.2116.6169.429.1-20.9000109.5
15T27.2Very low30.8Very low137 Ų137152.7 Ų152.784%0.8479%0.791SS**PPolyproline II helixtrans-55.5130.9164390000110.4A17T15-A17 PolarHBondContact O-N 3.5Å
16L27.9Very low31.8Very low183 Ų183147.9 Ų147.996%0.95877%0.773SS**  trans-65.4114175.7-90.697.6000110.8
17A28Very low33.4Very low99 Ų99143.5 Ų143.582%0.81875%0.751SS**  trans-139.7133.8156.300000110.6T15T15-A17 PolarHBondContact O-N 3.5Å
18K28.4Very low35Very low217 Ų217136.9 Ų136.994%0.94374%0.737SS**  trans-58.4125.8-173-67.6163.4171.7173.80113.3
19S28.6Very low36.4Very low116 Ų116132.1 Ų132.181%0.81172%0.716SS**  trans-170.4132.9137.7-175.80000111.2K21S19-K21 PolarHBondContact O-N 3.48Å
20Q29.3Very low38Very low185 Ų185132.5 Ų132.586%0.86472%0.718SS**  trans-62114.8175.7-68167.3-23.400111.3
21K33.1Very low39.5Very low202 Ų202138.2 Ų138.288%0.87873%0.732SS**  trans-170123.3149.8-102.8163.5-170.6-1750107.1S19S19-K21 PolarHBondContact O-N 3.48Å
22Q36.1Very low41.7Very low153 Ų153134.6 Ų134.672%0.71572%0.717SS**  trans-55.5139.4175.7-78.1-179.8-7.200109.4V24Q22-V24 PolarHBondContact O-N 2.87Å; Q22-V24 VanDerWaalsContact O-N 3.11Å
23P37.6Very low43.7Very low110 Ų110131.3 Ų131.371%0.71471%0.709SS**  trans-64.2117.9179.826.1-31.3000108.9I25P23-I25 PolarHBondContact O-N 3.2Å
24V46.6Very low45.5Very low78 Ų78125.9 Ų125.947%0.47369%0.69SS.*  trans-70.9110.2171.5179.30000106.7Q22 M26Q22-V24 PolarHBondContact O-N 2.87Å; Q22-V24 VanDerWaalsContact O-N 3.11Å; V24-M26 HydrophobicContact CG1-SD 4.22Å; V24-M26 PolarHBondContact O-N 3.28Å
25I51.6Low47.1Very low86 Ų86123.4 Ų123.444%0.44168%0.68SS.*  trans-73111.8175.7-55.8174.8000107.3P23 Y27P23-I25 PolarHBondContact O-N 3.2Å; I25-Y27 HydrophobicContact CB-CE2 3.92Å; I25-Y27 HydrophobicContact CG2-CD2 4.13Å; I25-Y27 HydrophobicContact CG2-CE1 4.05Å; I25-Y27 HydrophobicContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CZ 3.44Å
26M50.1Low48.8Very low107 Ų107120.2 Ų120.253%0.52766%0.66SS.*EExtended strand (participates in β ladder)trans-89.2123176.5-68.6-67.9-79.600109.1V24 A35V24-M26 HydrophobicContact CG1-SD 4.22Å; V24-M26 PolarHBondContact O-N 3.28Å; M26-A35 HydrophobicContact CE-CB 3.63Å
27Y59.9Low49.9Very low121 Ų121114.7 Ų114.748%0.47564%0.637SS.*EExtended strand (participates in β ladder)trans-104.8142.4177.2-65.4-88.5000110I25 A35 V36 L38I25-Y27 HydrophobicContact CB-CE2 3.92Å; I25-Y27 HydrophobicContact CG2-CD2 4.13Å; I25-Y27 HydrophobicContact CG2-CE1 4.05Å; I25-Y27 HydrophobicContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CE2 3.49Å; I25-Y27 VanDerWaalsContact CG2-CZ 3.44Å; Y27-A35 CarbonylContact O-C 3.56Å; Y27-A35 WeakPolarHBondContact O-CA 3.28Å; Y27-V36 PolarHBondContact N-O 3Å; Y27-V36 PolarHBondContact O-N 3.03Å; Y27-L38 HydrophobicContact CD2-CD1 3.8Å; Y27-L38 HydrophobicContact CD2-CG 4.19Å; Y27-L38 HydrophobicContact CE2-CD1 3.8Å; Y27-L38 HydrophobicContact CE2-CG 4.5Å
28T61.1Low50.9Low99 Ų99115 Ų11561%0.60762%0.624SS**EExtended strand (participates in β ladder)trans-95.3122.3176.8-47.10000109.7I30 G33T28-I30 PolarHBondContact O-N 3.16Å; T28-G33 VanDerWaalsContact CG2-O 3.3Å; T28-G33 WeakPolarHBondContact CG2-O 3.5Å
29S55.6Low51.6Low39 Ų39109.1 Ų109.127%0.27361%0.608SS.*  trans-62.3122.6174.8175.20000110.5K31 T32 G33 S34S29-K31 PolarHBondContact O-N 3.26Å; S29-T32 WeakPolarHBondContact CB-OG1 3.44Å; S29-T32 PolarHBondContact O-N 3.25Å; S29-T32 PolarHBondContact OG-N 2.95Å; S29-T32 PolarHBondContact OG-OG1 3.12Å; S29-G33 WeakPolarHBondContact O-CA 3.38Å; S29-G33 PolarHBondContact O-N 2.72Å; S29-S34 PolarHBondContact N-O 3.28Å
30I61.7Low52.3Low176 Ų176107.7 Ų107.790%0.90360%0.595SS**THydrogen-bonded Turntrans-64.8-28.5-179.6-52.2173.2000111.4T28T28-I30 PolarHBondContact O-N 3.16Å
31K58.2Low52.8Low204 Ų204100.7 Ų100.789%0.88757%0.572SS**THydrogen-bonded Turntrans-81.4-34.2179-83.6-172.2174.5-177.90114S29S29-K31 PolarHBondContact O-N 3.26Å
32T72.8Confident53.2Low93 Ų9398.6 Ų98.657%0.57157%0.57SS**THydrogen-bonded Turntrans-119.8-7.2-167.560.70000113.6S29 S34S29-T32 WeakPolarHBondContact CB-OG1 3.44Å; S29-T32 PolarHBondContact O-N 3.25Å; S29-T32 PolarHBondContact OG-N 2.95Å; S29-T32 PolarHBondContact OG-OG1 3.12Å; T32-S34 PolarHBondContact O-N 2.47Å; T32-S34 PolarHBondContact O-OG 3.03Å
33G68.2Low53.5Low57 Ų5798.3 Ų98.359%0.58857%0.573SS**  trans64.30.7-173.600000114.2T28 S29T28-G33 VanDerWaalsContact CG2-O 3.3Å; T28-G33 WeakPolarHBondContact CG2-O 3.5Å; S29-G33 WeakPolarHBondContact O-CA 3.38Å; S29-G33 PolarHBondContact O-N 2.72Å
34S63.2Low53.9Low64 Ų64100.9 Ų100.945%0.44857%0.574SS.*  trans-80.9136.9-174.5-60.70000110.4S29 T32 V36S29-S34 PolarHBondContact N-O 3.28Å; T32-S34 PolarHBondContact O-N 2.47Å; T32-S34 PolarHBondContact O-OG 3.03Å; S34-V36 PolarHBondContact O-N 3.27Å
35A63.2Low54.2Low65 Ų65106.8 Ų106.854%0.53759%0.588SS.*EExtended strand (participates in β ladder)trans-73.4116.7173.900000109.3M26 Y27M26-A35 HydrophobicContact CE-CB 3.63Å; Y27-A35 CarbonylContact O-C 3.56Å; Y27-A35 WeakPolarHBondContact O-CA 3.28Å
36V63.1Low54.6Low71 Ų71111.8 Ų111.843%0.4360%0.601SS.*EExtended strand (participates in β ladder)trans-108.4120.3176.8-178.30000108Y27 S34 L38Y27-V36 PolarHBondContact N-O 3Å; Y27-V36 PolarHBondContact O-N 3.03Å; S34-V36 PolarHBondContact O-N 3.27Å; V36-L38 PolarHBondContact O-N 3.19Å
37S50.6Low55.9Low67 Ų67110.2 Ų110.247%0.46960%0.6SS.*EExtended strand (participates in β ladder)trans-77.1114.5162.753.10000108.1
38L49.3Very low57.1Low104 Ų104106 Ų10655%0.54558%0.583SS.*  trans-66.9138.9164.3-75.6169.9000108.1Y27 V36 T40Y27-L38 HydrophobicContact CD2-CD1 3.8Å; Y27-L38 HydrophobicContact CD2-CG 4.19Å; Y27-L38 HydrophobicContact CE2-CD1 3.8Å; Y27-L38 HydrophobicContact CE2-CG 4.5Å; V36-L38 PolarHBondContact O-N 3.19Å; L38-T40 PolarHBondContact O-N 3.22Å
39P43Very low58.3Low94 Ų94103.1 Ų103.161%0.6157%0.566SS**  trans-56.3118.5176.8-17.528.4000108.6G41P39-G41 PolarHBondContact O-N 3.25Å
40T44.2Very low59.8Low87 Ų87101.9 Ų101.953%0.53456%0.557SS.*  trans-76.67.3174.148.40000112.3L38L38-T40 PolarHBondContact O-N 3.22Å
41G39.2Very low61Low37 Ų37101.4 Ų101.438%0.38155%0.545SS..SBendtrans-59137.2170.100000110P39 D43P39-G41 PolarHBondContact O-N 3.25Å; G41-D43 PolarHBondContact O-N 3.42Å
42N41.4Very low62.6Low159 Ų15992.2 Ų92.285%0.8551%0.506SS*.THydrogen-bonded Turntrans-55.74.7176-105.3-2000114.9F44N42-F44 VanDerWaalsContact C-N 3.26Å; N42-F44 PolarHBondContact O-N 3.38Å
43D43.9Very low63.6Low146 Ų14688 Ų8878%0.78148%0.479SS*.THydrogen-bonded Turntrans-69.8-24.2-173.4-59.6-29.7000112.5G41G41-D43 PolarHBondContact O-N 3.42Å
44F45.2Very low64.8Low165 Ų16590.2 Ų90.272%0.72448%0.475SS*.SBendtrans-108.7102.5166.1-62.9-80.7000108.4N42 R46N42-F44 VanDerWaalsContact C-N 3.26Å; N42-F44 PolarHBondContact O-N 3.38Å; F44-R46 PolarHBondContact O-N 2.94Å
45R52.1Low66.2Low202 Ų20293.4 Ų93.476%0.76248%0.477SS*.PPolyproline II helixtrans-47116.9166.1-102-171.6179.4-154.2-1107.4C47R45-C47 PolarHBondContact O-N 3.37Å; R45-C47 VanDerWaalsContact O-N 3.12Å
46R61.5Low67.6Low190 Ų19093.6 Ų93.672%0.71747%0.468SS*.PPolyproline II helixtrans-54.4121.5176.4-80.5-179.4174.8171.2-0.5107.8F44 R48F44-R46 PolarHBondContact O-N 2.94Å; R46-R48 PolarHBondContact O-N 3.15Å
47C76Confident69Low74 Ų7492.9 Ų92.950%0.546%0.462SS..PPolyproline II helixtrans-50.8124.9172.3-61.70000108.9R45 V118 V120R45-C47 PolarHBondContact O-N 3.37Å; R45-C47 VanDerWaalsContact O-N 3.12Å; C47-V118 WeakPolarHBondContact CA-O 3.43Å; C47-V118 VanDerWaalsContact CB-O 3.29Å; C47-V118 WeakPolarHBondContact CB-O 3.19Å; C47-V120 HydrophobicContact CB-CG2 3.66Å
48R86.2Confident70.9Confident34 Ų3494.2 Ų94.213%0.12846%0.461CS..EExtended strand (participates in β ladder)trans-72.3147.1-177.9-71.4172.569.2-152.8-4.2109.9R46 F53 D72 E74 D117 V118 A119 V120R46-R48 PolarHBondContact O-N 3.15Å; R48-F53 HydrophobicContact CB-CE2 4.04Å; R48-F53 HydrophobicContact CB-CZ 4.45Å; R48-F53 VanDerWaalsContact NH1-CZ 3.3Å; R48-D72 IonicContact CZ-OD1 3.37Å; R48-D72 IonicContact CZ-OD2 3.59Å; R48-D72 IonicContact NH1-OD1 3.44Å; R48-D72 IonicContact NH1-OD2 3.55Å; R48-D72 PolarHBondContact NH1-OD2 3.23Å; R48-D72 IonicContact NH2-OD1 3.48Å; R48-D72 PolarHBondContact NH2-OD1 3.33Å; R48-D72 IonicContact NH2-OD2 2.75Å; R48-D72 PolarHBondContact NH2-OD2 3.36Å; R48-E74 IonicContact CZ-OE1 3.53Å; R48-E74 VanDerWaalsContact CZ-OE1 3.3Å; R48-E74 IonicContact CZ-OE2 3.3Å; R48-E74 IonicContact NE-OE1 2.71Å; R48-E74 PolarHBondContact NE-OE1 2.81Å; R48-E74 IonicContact NE-OE2 3.06Å; R48-E74 IonicContact NH2-OE1 3.47Å; R48-E74 PolarHBondContact NH2-OE1 3.12Å; R48-E74 IonicContact NH2-OE2 2.81Å; R48-E74 PolarHBondContact NH2-OE2 2.56Å; R48-D117 WeakPolarHBondContact CD-OD2 3.28Å; R48-V118 PolarHBondContact N-O 2.89Å; R48-A119 CarbonylContact O-C 3.53Å; R48-A119 WeakPolarHBondContact O-CA 3.18Å; R48-V120 PolarHBondContact O-N 3.08Å
49P85.7Confident72.7Confident37 Ų3790.5 Ų90.524%0.2444%0.442CS..EExtended strand (participates in β ladder)trans-69.4145.3174.528.8-32.1000110.2Y51 S52P49-Y51 HydrophobicContact CB-CD1 3.55Å; P49-Y51 HydrophobicContact CB-CD2 4.3Å; P49-Y51 HydrophobicContact CB-CE1 3.18Å; P49-Y51 HydrophobicContact CB-CE2 3.98Å; P49-Y51 HydrophobicContact CB-CG 4.1Å; P49-Y51 VanDerWaalsContact CB-CZ 3.42Å; P49-Y51 HydrophobicContact CG-CD1 4.12Å; P49-Y51 HydrophobicContact CG-CD2 4Å; P49-Y51 HydrophobicContact CG-CE1 3.57Å; P49-Y51 HydrophobicContact CG-CE2 3.41Å; P49-Y51 VanDerWaalsContact CG-CE2 3.41Å; P49-Y51 HydrophobicContact CG-CG 4.31Å; P49-Y51 WeakPolarHBondContact CG-OH 3.42Å; P49-Y51 PolarHBondContact O-N 2.67Å; P49-S52 WeakPolarHBondContact O-CB 3.37Å; P49-S52 PolarHBondContact O-N 3.06Å
50V87.1Confident74.4Confident14 Ų1487.3 Ų87.39%0.08543%0.426CS..G310 helixtrans-58.9-23-179.172.70000113.4S52 F53 V120 Y128V50-S52 PolarHBondContact O-N 3.38Å; V50-F53 PolarHBondContact O-N 3.08Å; V50-F53 VanDerWaalsContact O-N 3.1Å; V50-V120 PolarHBondContact N-O 3.08Å; V50-Y128 HydrophobicContact CB-CD2 4.22Å; V50-Y128 HydrophobicContact CB-CE2 4.32Å; V50-Y128 HydrophobicContact CG2-CD2 3.61Å; V50-Y128 HydrophobicContact CG2-CE2 3.66Å; V50-Y128 HydrophobicContact CG2-CG 4.16Å
51Y87.5Confident76Confident166 Ų16689.8 Ų89.865%0.65143%0.431SS*.G310 helixtrans-71.5-14.6177.162.4-108.8000113.8P49 F53P49-Y51 HydrophobicContact CB-CD1 3.55Å; P49-Y51 HydrophobicContact CB-CD2 4.3Å; P49-Y51 HydrophobicContact CB-CE1 3.18Å; P49-Y51 HydrophobicContact CB-CE2 3.98Å; P49-Y51 HydrophobicContact CB-CG 4.1Å; P49-Y51 VanDerWaalsContact CB-CZ 3.42Å; P49-Y51 HydrophobicContact CG-CD1 4.12Å; P49-Y51 HydrophobicContact CG-CD2 4Å; P49-Y51 HydrophobicContact CG-CE1 3.57Å; P49-Y51 HydrophobicContact CG-CE2 3.41Å; P49-Y51 VanDerWaalsContact CG-CE2 3.41Å; P49-Y51 HydrophobicContact CG-CG 4.31Å; P49-Y51 WeakPolarHBondContact CG-OH 3.42Å; P49-Y51 PolarHBondContact O-N 2.67Å; Y51-F53 PolarHBondContact O-N 3.29Å
52S91.1Very high77.2Confident10 Ų1090 Ų907%0.0743%0.433CS..G310 helixtrans-71.3-1.9168.2-61.20000112.7P49 V50 T73P49-S52 WeakPolarHBondContact O-CB 3.37Å; P49-S52 PolarHBondContact O-N 3.06Å; V50-S52 PolarHBondContact O-N 3.38Å; S52-T73 WeakPolarHBondContact CA-OG1 3.42Å; S52-T73 PolarHBondContact O-N 2.59Å; S52-T73 PolarHBondContact O-OG1 3.15Å
53F93.8Very high78Confident4 Ų486.2 Ų86.22%0.01842%0.416CS..EExtended strand (participates in β ladder)trans-124.8106177.3-55.8-82.9000109.7R48 V50 Y51 R55 A70 R71 D72 V79 L81 A119 V130R48-F53 HydrophobicContact CB-CE2 4.04Å; R48-F53 HydrophobicContact CB-CZ 4.45Å; R48-F53 VanDerWaalsContact NH1-CZ 3.3Å; V50-F53 PolarHBondContact O-N 3.08Å; V50-F53 VanDerWaalsContact O-N 3.1Å; Y51-F53 PolarHBondContact O-N 3.29Å; F53-R55 PolarHBondContact O-N 3.47Å; F53-R55 VanDerWaalsContact O-N 3.14Å; F53-A70 HydrophobicContact CB-CB 4.21Å; F53-R71 CarbonylContact C-O 3.4Å; F53-R71 WeakPolarHBondContact CA-O 3.42Å; F53-D72 HydrophobicContact CD1-CB 4.07Å; F53-D72 HydrophobicContact CE1-CB 4.06Å; F53-V79 HydrophobicContact CD1-CG2 3.89Å; F53-V79 HydrophobicContact CE1-CG2 4.4Å; F53-L81 HydrophobicContact CB-CD1 3.8Å; F53-L81 HydrophobicContact CB-CD2 4.18Å; F53-L81 HydrophobicContact CB-CG 4.45Å; F53-L81 HydrophobicContact CD1-CD2 4.46Å; F53-L81 HydrophobicContact CD2-CD2 4.44Å; F53-L81 HydrophobicContact CG-CD2 4.1Å; F53-A119 HydrophobicContact CD2-CB 3.88Å; F53-A119 HydrophobicContact CE2-CB 3.66Å; F53-V130 HydrophobicContact CD1-CG1 4.16Å; F53-V130 HydrophobicContact CD2-CG2 4.36Å; F53-V130 HydrophobicContact CE1-CB 4.48Å; F53-V130 HydrophobicContact CE1-CG1 3.59Å; F53-V130 HydrophobicContact CE1-CG2 4.11Å; F53-V130 HydrophobicContact CE2-CG2 3.81Å; F53-V130 HydrophobicContact CZ-CB 4.36Å; F53-V130 HydrophobicContact CZ-CG1 3.93Å; F53-V130 HydrophobicContact CZ-CG2 3.65Å
54E94.1Very high78.9Confident104 Ų10481.5 Ų81.549%0.48639%0.388SS..EExtended strand (participates in β ladder)trans-68.8107.9176.4-176.1-167.2-173.400109.4L56 A70 R71 T73E54-L56 HydrophobicContact CG-CD2 4.47Å; E54-L56 PolarHBondContact O-N 3.5Å; E54-A70 CarbonylContact O-C 3.53Å; E54-A70 WeakPolarHBondContact O-CA 3.31Å; E54-A70 VanDerWaalsContact O-CB 3.32Å; E54-A70 WeakPolarHBondContact O-CB 3.45Å; E54-R71 HydrophobicContact CB-CB 4.35Å; E54-R71 PolarHBondContact N-O 3.03Å; E54-R71 PolarHBondContact O-N 2.99Å; E54-T73 HydrophobicContact CB-CG2 4.23Å
55R92.9Very high80.3Confident131 Ų13173.8 Ų73.849%0.49436%0.355SS..EExtended strand (participates in β ladder)trans-69122.5177.3-77.8-179.9-87.9168.6-7.1110.4F53 L81F53-R55 PolarHBondContact O-N 3.47Å; F53-R55 VanDerWaalsContact O-N 3.14Å; R55-L81 HydrophobicContact CG-CD1 3.9Å
56L92.5Very high81.9Confident69 Ų6965.3 Ų65.336%0.36133%0.325SS..EExtended strand (participates in β ladder)trans-93.8-72.1-179.4-59.2178.1000111.3E54 R69 I78E54-L56 HydrophobicContact CG-CD2 4.47Å; E54-L56 PolarHBondContact O-N 3.5Å; L56-R69 WeakPolarHBondContact CB-O 3.45Å; L56-R69 HydrophobicContact CD1-CG 4.11Å; L56-R69 PolarHBondContact N-O 2.87Å; L56-I78 HydrophobicContact CD1-CD1 3.89Å
57N92.1Very high83.4Confident56 Ų5657.9 Ų57.930%0.29930%0.301SS..EExtended strand (participates in β ladder)trans-144.8151.5-178.366.4-76.4000111.1I59 Y68 R69N57-I59 WeakPolarHBondContact ND2-CG2 3.07Å; N57-Y68 WeakPolarHBondContact O-CA 3.48Å; N57-R69 PolarHBondContact N-O 2.83Å; N57-R69 PolarHBondContact O-N 2.94Å; N57-R69 WeakPolarHBondContact OD1-CD 3.39Å
58Q90.4Very high84.2Confident95 Ų9556.6 Ų56.644%0.44429%0.286SS..EExtended strand (participates in β ladder)trans-68.4134.9169.9-174.1171.3-27.600109.3E61 V66 Y68Q58-E61 PolarHBondContact NE2-OE2 3.43Å; Q58-V66 HydrophobicContact CG-CG1 3.65Å; Q58-Y68 HydrophobicContact CB-CD1 3.99Å; Q58-Y68 HydrophobicContact CB-CE1 4.02Å; Q58-Y68 HydrophobicContact CG-CD1 4.44Å; Q58-Y68 HydrophobicContact CG-CE1 4.27Å
59I86.7Confident84.6Confident27 Ų2757.6 Ų57.614%0.13829%0.29CS..EExtended strand (participates in β ladder)trans-118.8-14.6-177.756.4173.1000113.5N57 V67 R69 A80 Y133 R356N57-I59 WeakPolarHBondContact ND2-CG2 3.07Å; I59-V67 HydrophobicContact CD1-CG1 3.75Å; I59-V67 HydrophobicContact CG1-CB 3.98Å; I59-V67 HydrophobicContact CG1-CG1 3.72Å; I59-V67 WeakPolarHBondContact CG1-O 3.33Å; I59-V67 PolarHBondContact N-O 3.02Å; I59-R69 HydrophobicContact CD1-CB 4.44Å; I59-R69 HydrophobicContact CG2-CB 3.73Å; I59-A80 HydrophobicContact CD1-CB 4.22Å; I59-Y133 HydrophobicContact CD1-CD2 4.25Å; I59-Y133 HydrophobicContact CD1-CE2 3.93Å; I59-R356 VanDerWaalsContact O-CZ 3.31Å; I59-R356 PolarHBondContact O-NH1 3.22Å; I59-R356 PolarHBondContact O-NH2 3.19Å
60G79.4Confident85.1Confident27 Ų2755.8 Ų55.828%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-166.9152.1175.900000111.9V67G60-V67 PolarHBondContact N-O 2.97Å; G60-V67 PolarHBondContact O-N 3.03Å
61E76.7Confident85.5Confident138 Ų13860.1 Ų60.165%0.64529%0.293SS*.EExtended strand (participates in β ladder)trans-135.3119.4167.8-177.4168.1-178.400107.2Q58 V66Q58-E61 PolarHBondContact NE2-OE2 3.43Å; E61-V66 HydrophobicContact CG-CG2 4.25Å
62G65.3Low85.9Confident41 Ų4152.5 Ų52.542%0.42326%0.264SS..EExtended strand (participates in β ladder)trans-134.1-175.8-178.600000111.8Y64 G65G62-Y64 PolarHBondContact O-N 3.14Å; G62-Y64 VanDerWaalsContact O-N 3.12Å; G62-G65 PolarHBondContact N-O 3.41Å; G62-G65 PolarHBondContact O-N 3.36Å
63T57.9Low86.1Confident80 Ų8056 Ų5649%0.49129%0.285SS..THydrogen-bonded Turntrans-54.2-34.4-179.7-50.50000112.7R85T63-R85 PolarHBondContact O-NH1 2.96Å
64Y63.8Low86Confident47 Ų4762 Ų6218%0.18431%0.313CS..THydrogen-bonded Turntrans-95.2-3.6-174.3-49.9-71.1000114.7G62 D177 D195 L198G62-Y64 PolarHBondContact O-N 3.14Å; G62-Y64 VanDerWaalsContact O-N 3.12Å; Y64-D177 PolarHBondContact OH-OD2 3.25Å; Y64-D195 VanDerWaalsContact CD2-OD1 3.28Å; Y64-D195 WeakPolarHBondContact CD2-OD1 3.42Å; Y64-D195 WeakPolarHBondContact CD2-OD2 3.33Å; Y64-D195 WeakPolarHBondContact CE2-OD2 3.24Å; Y64-L198 HydrophobicContact CE1-CD2 4.37Å; Y64-L198 HydrophobicContact CE1-CG 4.33Å; Y64-L198 WeakPolarHBondContact OH-CD1 3.26Å; Y64-L198 WeakPolarHBondContact OH-CG 3.44Å
65G74.1Confident86Confident4 Ų461 Ų614%0.04131%0.314CS..EExtended strand (participates in β ladder)trans143.1-171.3176.800000114.9G62G62-G65 PolarHBondContact N-O 3.41Å; G62-G65 PolarHBondContact O-N 3.36Å
66V85.7Confident86.1Confident23 Ų2356.4 Ų56.414%0.13931%0.307CS..EExtended strand (participates in β ladder)trans-100.3134.3179.4-174.20000108.9Q58 E61 Y68 K83Q58-V66 HydrophobicContact CG-CG1 3.65Å; E61-V66 HydrophobicContact CG-CG2 4.25Å; V66-Y68 HydrophobicContact CB-CE2 3.97Å; V66-Y68 HydrophobicContact CG1-CD2 4.29Å; V66-Y68 HydrophobicContact CG1-CE1 3.93Å; V66-Y68 HydrophobicContact CG1-CE2 3.6Å; V66-Y68 WeakPolarHBondContact CG1-OH 3.3Å; V66-K83 WeakPolarHBondContact O-CB 3.27Å; V66-K83 PolarHBondContact O-N 3.04Å
67V91.7Very high86.2Confident35 Ų3559 Ų5921%0.21232%0.317CS..EExtended strand (participates in β ladder)trans-110.9129.1178-167.40000109.4I59 G60 A80 L81 K82I59-V67 HydrophobicContact CD1-CG1 3.75Å; I59-V67 HydrophobicContact CG1-CB 3.98Å; I59-V67 HydrophobicContact CG1-CG1 3.72Å; I59-V67 WeakPolarHBondContact CG1-O 3.33Å; I59-V67 PolarHBondContact N-O 3.02Å; G60-V67 PolarHBondContact N-O 2.97Å; G60-V67 PolarHBondContact O-N 3.03Å; V67-A80 HydrophobicContact CG1-CB 4.23Å; V67-L81 CarbonylContact C-O 3.52Å; V67-L81 WeakPolarHBondContact CA-O 3.37Å; V67-K82 HydrophobicContact CG2-CB 4.31Å; V67-K82 HydrophobicContact CG2-CG 4.21Å
68Y93.2Very high86.4Confident47 Ų4758.4 Ų58.418%0.18431%0.314CS..EExtended strand (participates in β ladder)trans-113.8141.3177-57.1-86.6000110.4N57 Q58 V66 A80 L81 Y128N57-Y68 WeakPolarHBondContact O-CA 3.48Å; Q58-Y68 HydrophobicContact CB-CD1 3.99Å; Q58-Y68 HydrophobicContact CB-CE1 4.02Å; Q58-Y68 HydrophobicContact CG-CD1 4.44Å; Q58-Y68 HydrophobicContact CG-CE1 4.27Å; V66-Y68 HydrophobicContact CB-CE2 3.97Å; V66-Y68 HydrophobicContact CG1-CD2 4.29Å; V66-Y68 HydrophobicContact CG1-CE1 3.93Å; V66-Y68 HydrophobicContact CG1-CE2 3.6Å; V66-Y68 WeakPolarHBondContact CG1-OH 3.3Å; Y68-A80 CarbonylContact O-C 3.45Å; Y68-A80 WeakPolarHBondContact O-CA 3.5Å; Y68-L81 PolarHBondContact N-O 3.25Å; Y68-L81 PolarHBondContact O-N 3.2Å; Y68-Y128 HydrophobicContact CD2-CE1 4.47Å; Y68-Y128 HydrophobicContact CE2-CE1 4.44Å
69R94.7Very high86.6Confident54 Ų5454 Ų5420%0.20429%0.293CS..EExtended strand (participates in β ladder)trans-74.2133.1158.5-174.6-174.3175.2176.91.1107.8L56 N57 I59 I78 Y133L56-R69 WeakPolarHBondContact CB-O 3.45Å; L56-R69 HydrophobicContact CD1-CG 4.11Å; L56-R69 PolarHBondContact N-O 2.87Å; N57-R69 PolarHBondContact N-O 2.83Å; N57-R69 PolarHBondContact O-N 2.94Å; N57-R69 WeakPolarHBondContact OD1-CD 3.39Å; I59-R69 HydrophobicContact CD1-CB 4.44Å; I59-R69 HydrophobicContact CG2-CB 3.73Å; R69-I78 HydrophobicContact CG-CG2 3.72Å; R69-Y133 HydrophobicContact CB-CE2 4.08Å; R69-Y133 HydrophobicContact CG-CD2 4.07Å; R69-Y133 HydrophobicContact CG-CE2 3.73Å
70A96Very high87.1Confident0 Ų053.1 Ų53.10%029%0.29CS..EExtended strand (participates in β ladder)trans-136.3163.6175.800000111F53 E54 I78 V79 L81F53-A70 HydrophobicContact CB-CB 4.21Å; E54-A70 CarbonylContact O-C 3.53Å; E54-A70 WeakPolarHBondContact O-CA 3.31Å; E54-A70 VanDerWaalsContact O-CB 3.32Å; E54-A70 WeakPolarHBondContact O-CB 3.45Å; A70-I78 WeakPolarHBondContact O-CA 3.09Å; A70-V79 HydrophobicContact CB-CG2 4.05Å; A70-V79 PolarHBondContact N-O 3.44Å; A70-V79 PolarHBondContact O-N 2.82Å; A70-L81 HydrophobicContact CB-CD1 3.47Å; A70-L81 VanDerWaalsContact CB-CD1 3.47Å; A70-L81 HydrophobicContact CB-CG 3.68Å
71R96.8Very high87.8Confident104 Ų10451.8 Ų51.839%0.39228%0.277SS..EExtended strand (participates in β ladder)trans-109.1127.7169-176.9-172.8-61.9-84.16.1108.6F53 E54 T73 G76 E77 I78F53-R71 CarbonylContact C-O 3.4Å; F53-R71 WeakPolarHBondContact CA-O 3.42Å; E54-R71 HydrophobicContact CB-CB 4.35Å; E54-R71 PolarHBondContact N-O 3.03Å; E54-R71 PolarHBondContact O-N 2.99Å; R71-T73 PolarHBondContact O-N 3.45Å; R71-G76 PolarHBondContact NH1-O 2.87Å; R71-E77 CarbonylContact C-O 3.58Å; R71-E77 WeakPolarHBondContact CA-O 3.15Å; R71-I78 HydrophobicContact CB-CD1 4.16Å; R71-I78 HydrophobicContact CG-CD1 4.39Å
72D96Very high88.5Confident6 Ų645.9 Ų45.93%0.03225%0.249CC..EExtended strand (participates in β ladder)trans-67.6120.8168.6-174.5-29.7000108.9R48 F53 E74 T75 G76 E77R48-D72 IonicContact CZ-OD1 3.37Å; R48-D72 IonicContact CZ-OD2 3.59Å; R48-D72 IonicContact NH1-OD1 3.44Å; R48-D72 IonicContact NH1-OD2 3.55Å; R48-D72 PolarHBondContact NH1-OD2 3.23Å; R48-D72 IonicContact NH2-OD1 3.48Å; R48-D72 PolarHBondContact NH2-OD1 3.33Å; R48-D72 IonicContact NH2-OD2 2.75Å; R48-D72 PolarHBondContact NH2-OD2 3.36Å; F53-D72 HydrophobicContact CD1-CB 4.07Å; F53-D72 HydrophobicContact CE1-CB 4.06Å; D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 2.95Å; D72-E74 WeakPolarHBondContact OD1-CB 3.46Å; D72-E74 PolarHBondContact OD1-N 3.29Å; D72-T75 VanDerWaalsContact CB-OG1 3.32Å; D72-T75 WeakPolarHBondContact CB-OG1 3.18Å; D72-T75 VanDerWaalsContact CG-OG1 3.32Å; D72-T75 PolarHBondContact OD1-N 2.7Å; D72-G76 WeakPolarHBondContact O-CA 3.4Å; D72-G76 PolarHBondContact O-N 3.06Å; D72-E77 PolarHBondContact N-O 3.43Å
73T94.1Very high89.6Confident83 Ų8347.5 Ų47.551%0.50924%0.244SC..THydrogen-bonded Turntrans-73.6-18.3-175.7600000113.2S52 E54 R71S52-T73 WeakPolarHBondContact CA-OG1 3.42Å; S52-T73 PolarHBondContact O-N 2.59Å; S52-T73 PolarHBondContact O-OG1 3.15Å; E54-T73 HydrophobicContact CB-CG2 4.23Å; R71-T73 PolarHBondContact O-N 3.45Å
74E92.6Very high90.9Very high132 Ų13243.9 Ų43.962%0.61722%0.222SC*.THydrogen-bonded Turntrans-87.1-43.9178.3-70.4167-136.400111.3R48 D72R48-E74 IonicContact CZ-OE1 3.53Å; R48-E74 VanDerWaalsContact CZ-OE1 3.3Å; R48-E74 IonicContact CZ-OE2 3.3Å; R48-E74 IonicContact NE-OE1 2.71Å; R48-E74 PolarHBondContact NE-OE1 2.81Å; R48-E74 IonicContact NE-OE2 3.06Å; R48-E74 IonicContact NH2-OE1 3.47Å; R48-E74 PolarHBondContact NH2-OE1 3.12Å; R48-E74 IonicContact NH2-OE2 2.81Å; R48-E74 PolarHBondContact NH2-OE2 2.56Å; D72-E74 VanDerWaalsContact C-N 3.26Å; D72-E74 PolarHBondContact O-N 2.95Å; D72-E74 WeakPolarHBondContact OD1-CB 3.46Å; D72-E74 PolarHBondContact OD1-N 3.29Å
75T93.8Very high91.2Very high81 Ų8147.8 Ų47.850%0.49724%0.237SC..THydrogen-bonded Turntrans-97.2-19.4-176.167.80000113.6D72 E77D72-T75 VanDerWaalsContact CB-OG1 3.32Å; D72-T75 WeakPolarHBondContact CB-OG1 3.18Å; D72-T75 VanDerWaalsContact CG-OG1 3.32Å; D72-T75 PolarHBondContact OD1-N 2.7Å; T75-E77 PolarHBondContact O-N 3.23Å; T75-E77 WeakPolarHBondContact OG1-CB 3.34Å; T75-E77 PolarHBondContact OG1-N 3.04Å
76G93.8Very high90.6Very high35 Ų3548.9 Ų48.936%0.36124%0.242SC..  trans75.9-3.8-172.300000114.5R71 D72R71-G76 PolarHBondContact NH1-O 2.87Å; D72-G76 WeakPolarHBondContact O-CA 3.4Å; D72-G76 PolarHBondContact O-N 3.06Å
77E95.1Very high89.3Confident123 Ų12352 Ų5258%0.57526%0.262SS*.  trans-71151.1-177.9-66.4-172.5157.800112.3R71 D72 T75R71-E77 CarbonylContact C-O 3.58Å; R71-E77 WeakPolarHBondContact CA-O 3.15Å; D72-E77 PolarHBondContact N-O 3.43Å; T75-E77 PolarHBondContact O-N 3.23Å; T75-E77 WeakPolarHBondContact OG1-CB 3.34Å; T75-E77 PolarHBondContact OG1-N 3.04Å
78I95.7Very high87.2Confident45 Ų4556.2 Ų56.223%0.23129%0.291CS..EExtended strand (participates in β ladder)trans-87.5129.6174.6-59.4-60.7000109.2L56 R69 A70 R71 Y133L56-I78 HydrophobicContact CD1-CD1 3.89Å; R69-I78 HydrophobicContact CG-CG2 3.72Å; A70-I78 WeakPolarHBondContact O-CA 3.09Å; R71-I78 HydrophobicContact CB-CD1 4.16Å; R71-I78 HydrophobicContact CG-CD1 4.39Å; I78-Y133 HydrophobicContact CG2-CD1 3.83Å; I78-Y133 HydrophobicContact CG2-CD2 4.06Å; I78-Y133 HydrophobicContact CG2-CE1 4.36Å; I78-Y133 HydrophobicContact CG2-CG 3.66Å; I78-Y133 WeakPolarHBondContact O-CB 3.27Å
79V96.1Very high84.9Confident1 Ų160.1 Ų60.11%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-129.4163.9-179.1-60.20000111F53 A70 I116 V130F53-V79 HydrophobicContact CD1-CG2 3.89Å; F53-V79 HydrophobicContact CE1-CG2 4.4Å; A70-V79 HydrophobicContact CB-CG2 4.05Å; A70-V79 PolarHBondContact N-O 3.44Å; A70-V79 PolarHBondContact O-N 2.82Å; V79-I116 HydrophobicContact CG1-CD1 3.85Å; V79-V130 HydrophobicContact CB-CG1 3.92Å; V79-V130 HydrophobicContact CG1-CG1 4.12Å; V79-V130 HydrophobicContact CG2-CG1 3.89Å
80A95.6Very high83Confident9 Ų967.5 Ų67.57%0.07435%0.352CS..EExtended strand (participates in β ladder)trans-105.1125.2170.100000110.2I59 V67 Y68 L131 Y133I59-A80 HydrophobicContact CD1-CB 4.22Å; V67-A80 HydrophobicContact CG1-CB 4.23Å; Y68-A80 CarbonylContact O-C 3.45Å; Y68-A80 WeakPolarHBondContact O-CA 3.5Å; A80-L131 HydrophobicContact CB-CB 4.26Å; A80-L131 PolarHBondContact N-O 3.46Å; A80-L131 PolarHBondContact O-N 3.26Å; A80-Y133 HydrophobicContact CB-CD2 4.44Å
81L94Very high81.1Confident0 Ų076.3 Ų76.30%039%0.393CS..EExtended strand (participates in β ladder)trans-100.2106.1174.5-63.9179000109.9F53 R55 V67 Y68 A70 Y128 L129 V130F53-L81 HydrophobicContact CB-CD1 3.8Å; F53-L81 HydrophobicContact CB-CD2 4.18Å; F53-L81 HydrophobicContact CB-CG 4.45Å; F53-L81 HydrophobicContact CD1-CD2 4.46Å; F53-L81 HydrophobicContact CD2-CD2 4.44Å; F53-L81 HydrophobicContact CG-CD2 4.1Å; R55-L81 HydrophobicContact CG-CD1 3.9Å; V67-L81 CarbonylContact C-O 3.52Å; V67-L81 WeakPolarHBondContact CA-O 3.37Å; Y68-L81 PolarHBondContact N-O 3.25Å; Y68-L81 PolarHBondContact O-N 3.2Å; A70-L81 HydrophobicContact CB-CD1 3.47Å; A70-L81 VanDerWaalsContact CB-CD1 3.47Å; A70-L81 HydrophobicContact CB-CG 3.68Å; L81-Y128 HydrophobicContact CB-CD1 4.11Å; L81-L129 WeakPolarHBondContact CA-O 3.29Å; L81-V130 HydrophobicContact CD2-CB 4.26Å; L81-V130 HydrophobicContact CD2-CG1 4.22Å; L81-V130 HydrophobicContact CD2-CG2 3.73Å
82K91.4Very high79.7Confident14 Ų1473 Ų736%0.06139%0.392CS..EExtended strand (participates in β ladder)trans-89.4108.5172.2-179.1175.6175.2-175.30109V67 M84 E100 Y128 L129 L131 D195V67-K82 HydrophobicContact CG2-CB 4.31Å; V67-K82 HydrophobicContact CG2-CG 4.21Å; K82-M84 HydrophobicContact CD-SD 4.33Å; K82-M84 HydrophobicContact CG-SD 4.14Å; K82-M84 PolarHBondContact O-N 3.05Å; K82-E100 IonicContact NZ-OE1 3.34Å; K82-E100 PolarHBondContact NZ-OE1 2.95Å; K82-E100 IonicContact NZ-OE2 2.89Å; K82-E100 PolarHBondContact NZ-OE2 3.31Å; K82-Y128 CarbonylContact O-C 3.53Å; K82-Y128 VanDerWaalsContact O-CA 3.3Å; K82-Y128 WeakPolarHBondContact O-CA 3.35Å; K82-L129 HydrophobicContact CB-CB 4.28Å; K82-L129 HydrophobicContact CD-CD1 4.49Å; K82-L129 PolarHBondContact N-O 3.07Å; K82-L129 PolarHBondContact O-N 2.87Å; K82-L131 HydrophobicContact CB-CD1 4.05Å; K82-L131 HydrophobicContact CD-CD1 4.46Å; K82-D195 IonicContact NZ-OD1 3.65Å; K82-D195 PolarHBondContact NZ-OD1 2.77Å
83K89.5Confident78.6Confident74 Ų7476 Ų7632%0.32241%0.407SS..EExtended strand (participates in β ladder)trans-69.4119.7174.8-173.2-179.5178.9-179.60109V66 T126 Y128V66-K83 WeakPolarHBondContact O-CB 3.27Å; V66-K83 PolarHBondContact O-N 3.04Å; K83-T126 HydrophobicContact CD-CG2 4.44Å; K83-T126 HydrophobicContact CG-CG2 4.22Å; K83-Y128 HydrophobicContact CB-CD1 3.79Å; K83-Y128 HydrophobicContact CB-CE1 3.5Å; K83-Y128 VanDerWaalsContact CB-CE1 3.5Å; K83-Y128 HydrophobicContact CD-CE1 4.19Å; K83-Y128 HydrophobicContact CG-CD1 4.23Å; K83-Y128 HydrophobicContact CG-CE1 3.68Å
84M84Confident77.7Confident4 Ų473.2 Ų73.22%0.0239%0.39CS..  trans-80.4129.6176.5-59.1-54.7-73.200109.5K82 T86 S97 E100 F127 L129K82-M84 HydrophobicContact CD-SD 4.33Å; K82-M84 HydrophobicContact CG-SD 4.14Å; K82-M84 PolarHBondContact O-N 3.05Å; M84-T86 PolarHBondContact O-N 2.82Å; M84-S97 VanDerWaalsContact CE-CB 3.42Å; M84-S97 WeakPolarHBondContact CE-OG 3.48Å; M84-E100 WeakPolarHBondContact CE-OE2 3.26Å; M84-F127 HydrophobicContact CB-CD1 4.23Å; M84-F127 HydrophobicContact CB-CD2 4.27Å; M84-F127 HydrophobicContact CB-CE1 3.79Å; M84-F127 HydrophobicContact CB-CE2 3.88Å; M84-F127 HydrophobicContact CB-CG 4.46Å; M84-F127 HydrophobicContact CB-CZ 3.63Å; M84-F127 HydrophobicContact CG-CD2 3.89Å; M84-F127 HydrophobicContact CG-CE1 4.29Å; M84-F127 HydrophobicContact CG-CE2 3.43Å; M84-F127 VanDerWaalsContact CG-CE2 3.43Å; M84-F127 HydrophobicContact CG-CZ 3.66Å; M84-F127 PolarHBondContact N-O 3.07Å; M84-L129 HydrophobicContact CE-CD1 4.32Å; M84-L129 HydrophobicContact CG-CD2 4.39Å; M84-L129 HydrophobicContact CG-CG 4.04Å; M84-L129 HydrophobicContact SD-CD1 3.75Å; M84-L129 HydrophobicContact SD-CG 3.77Å
85R70.1Confident77Confident130 Ų13073.2 Ų73.249%0.49139%0.394SS..  trans-73.9114.1174.6-70.9-178174.4177.6-3.1108.7T63 P94T63-R85 PolarHBondContact O-NH1 2.96Å; R85-P94 WeakPolarHBondContact O-CG 3.45Å
86T63.3Low76.1Confident27 Ų2771.8 Ų71.817%0.16639%0.387CS..  trans-82.5120.6160.6150000107.9M84 C88 I93 D125M84-T86 PolarHBondContact O-N 2.82Å; T86-C88 PolarHBondContact O-N 3.4Å; T86-I93 HydrophobicContact CG2-CG1 4.49Å; T86-D125 VanDerWaalsContact CB-O 3.25Å; T86-D125 WeakPolarHBondContact CB-O 3.39Å; T86-D125 HydrophobicContact CG2-CB 3.95Å; T86-D125 WeakPolarHBondContact CG2-O 3.46Å; T86-D125 PolarHBondContact OG1-O 2.98Å
87T56.8Low75.5Confident88 Ų8870.5 Ų70.554%0.5437%0.373SS..  trans-70.6118168.142.10000107.4N89T87-N89 PolarHBondContact O-N 3.07Å
88C47.7Very low75Confident124 Ų12468.7 Ų68.784%0.83837%0.367SS*.SBendtrans-64.114-175.3-53.30000115.3T86T86-C88 PolarHBondContact O-N 3.4Å
89N46.5Very low74.5Confident129 Ų12970.1 Ų70.169%0.6937%0.369SS*.SBendtrans-111.690.5-174.6-69.27.6000109.7T87 E91T87-N89 PolarHBondContact O-N 3.07Å; N89-E91 PolarHBondContact O-N 3.33Å
90Q53.3Low74.1Confident208 Ų20870.2 Ų70.297%0.97237%0.37SS*.SBendtrans50.7-13156.5-63.6-174.2-13.200121.1
91E57.1Low73.8Confident185 Ų18570.8 Ų70.886%0.86437%0.372SS*.SBendtrans-101.13.5-175.8-65.9-165.5156.900114N89N89-E91 PolarHBondContact O-N 3.33Å
92G67.7Low73.7Confident36 Ų3674.5 Ų74.537%0.37139%0.392SS..  trans73.6-141.1177.300000113.4
93I72.3Confident73.7Confident68 Ų6873.8 Ų73.835%0.34939%0.389SS..SBendtrans-70.3128.2-177.4-61.7171.6000109.8T86 L95 L98 F127T86-I93 HydrophobicContact CG2-CG1 4.49Å; I93-L95 PolarHBondContact O-N 2.71Å; I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.86Å; I93-F127 HydrophobicContact CB-CE1 4.41Å; I93-F127 HydrophobicContact CD1-CD1 4.3Å; I93-F127 HydrophobicContact CD1-CE1 4.03Å; I93-F127 HydrophobicContact CG1-CE1 4.04Å; I93-F127 HydrophobicContact CG2-CE1 3.55Å; I93-F127 HydrophobicContact CG2-CZ 3.78Å
94P74.3Confident73.8Confident24 Ų2470.5 Ų70.516%0.15638%0.375CS..  trans-56.8135.8178.4-24.132.6000112.4R85 S96 S97 L98R85-P94 WeakPolarHBondContact O-CG 3.45Å; P94-S96 PolarHBondContact O-N 3.44Å; P94-S96 VanDerWaalsContact O-N 3.14Å; P94-S97 WeakPolarHBondContact O-CA 3.26Å; P94-S97 WeakPolarHBondContact O-CB 3.1Å; P94-S97 PolarHBondContact O-N 2.81Å; P94-L98 PolarHBondContact O-N 3.41Å; P94-L98 VanDerWaalsContact O-N 3.16Å
95L78Confident74.2Confident133 Ų13375.6 Ų75.670%0.69640%0.402SS*.Hα-helixtrans-57.2-29.6175.9-74.4170.5000112.8I93 R99I93-L95 PolarHBondContact O-N 2.71Å; L95-R99 VanDerWaalsContact O-CB 3.31Å; L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 2.95Å
96S76.5Confident75.2Confident50 Ų5074.7 Ų74.735%0.3541%0.406SS..Hα-helixtrans-62-42.4172.547.60000111.9P94 R99 E100P94-S96 PolarHBondContact O-N 3.44Å; P94-S96 VanDerWaalsContact O-N 3.14Å; S96-R99 PolarHBondContact O-N 3.36Å; S96-E100 PolarHBondContact O-N 3.08Å
97S81Confident76.6Confident8 Ų874 Ų746%0.05640%0.402CS..Hα-helixtrans-67.5-43.6178.6-51.80000111.9M84 P94 R99 E100 V101M84-S97 VanDerWaalsContact CE-CB 3.42Å; M84-S97 WeakPolarHBondContact CE-OG 3.48Å; P94-S97 WeakPolarHBondContact O-CA 3.26Å; P94-S97 WeakPolarHBondContact O-CB 3.1Å; P94-S97 PolarHBondContact O-N 2.81Å; S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.47Å; S97-E100 PolarHBondContact O-N 3.2Å; S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.37Å; S97-V101 PolarHBondContact O-N 2.92Å
98L83.5Confident78.5Confident86 Ų8678.7 Ų78.745%0.4541%0.409SS..Hα-helixtrans-62.7-36.9174.4-68.6178.3000112I93 P94 N102I93-L98 HydrophobicContact CG2-CD2 3.96Å; I93-L98 HydrophobicContact CG2-CG 3.86Å; P94-L98 PolarHBondContact O-N 3.41Å; P94-L98 VanDerWaalsContact O-N 3.16Å; L98-N102 VanDerWaalsContact O-CB 3.31Å; L98-N102 WeakPolarHBondContact O-CB 3.4Å; L98-N102 PolarHBondContact O-N 3.45Å
99R86Confident80.9Confident74 Ų7475.2 Ų75.228%0.27938%0.381SS..Hα-helixtrans-66.8-44.2175.8-169.5-174.4-54.91128.5111.9L95 S96 S97 V101 N102 I103 A199L95-R99 VanDerWaalsContact O-CB 3.31Å; L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 2.95Å; S96-R99 PolarHBondContact O-N 3.36Å; S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.47Å; R99-V101 VanDerWaalsContact C-N 3.33Å; R99-V101 PolarHBondContact O-N 2.88Å; R99-N102 PolarHBondContact O-N 3.42Å; R99-I103 HydrophobicContact CG-CD1 3.94Å; R99-I103 HydrophobicContact CG-CG1 4.44Å; R99-I103 WeakPolarHBondContact O-CB 3.45Å; R99-I103 WeakPolarHBondContact O-CG1 3.4Å; R99-I103 PolarHBondContact O-N 2.79Å; R99-A199 WeakPolarHBondContact CD-O 3.5Å
100E88.1Confident83.3Confident4 Ų474.5 Ų74.52%0.01937%0.368CS..Hα-helixtrans-58.8-46.5175.8179.9169.8-167.500110.8K82 M84 S96 S97 I103 L104 L129 F196K82-E100 IonicContact NZ-OE1 3.34Å; K82-E100 PolarHBondContact NZ-OE1 2.95Å; K82-E100 IonicContact NZ-OE2 2.89Å; K82-E100 PolarHBondContact NZ-OE2 3.31Å; M84-E100 WeakPolarHBondContact CE-OE2 3.26Å; S96-E100 PolarHBondContact O-N 3.08Å; S97-E100 PolarHBondContact O-N 3.2Å; E100-I103 PolarHBondContact O-N 3.15Å; E100-L104 HydrophobicContact CG-CD1 3.89Å; E100-L104 WeakPolarHBondContact O-CB 3.42Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.95Å; E100-L129 HydrophobicContact CG-CD1 4.09Å; E100-F196 HydrophobicContact CG-CB 4.1Å
101V89Confident85.4Confident20 Ų2064.6 Ų64.612%0.12132%0.322CS..Hα-helixtrans-57.9-50.9173.6173.10000110.9S97 R99 I103 L104 L105 V118 F127 L129S97-V101 VanDerWaalsContact O-CG2 3.31Å; S97-V101 WeakPolarHBondContact O-CG2 3.37Å; S97-V101 PolarHBondContact O-N 2.92Å; R99-V101 VanDerWaalsContact C-N 3.33Å; R99-V101 PolarHBondContact O-N 2.88Å; V101-I103 PolarHBondContact O-N 3.26Å; V101-L104 PolarHBondContact O-N 2.86Å; V101-L105 HydrophobicContact CG1-CD1 3.61Å; V101-L105 HydrophobicContact CG1-CG 4.11Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 VanDerWaalsContact O-CG 3.24Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.47Å; V101-V118 HydrophobicContact CG1-CG2 4.25Å; V101-F127 HydrophobicContact CG2-CE2 4.13Å; V101-L129 HydrophobicContact CG2-CD2 3.45Å; V101-L129 VanDerWaalsContact CG2-CD2 3.45Å
102N90.7Very high87.4Confident78 Ų7856 Ų5642%0.41728%0.282SS..Hα-helixtrans-61.4-43.3-177.7-176.7-88.7000112.2L98 R99 N106L98-N102 VanDerWaalsContact O-CB 3.31Å; L98-N102 WeakPolarHBondContact O-CB 3.4Å; L98-N102 PolarHBondContact O-N 3.45Å; R99-N102 PolarHBondContact O-N 3.42Å; N102-N106 PolarHBondContact O-N 3.39Å; N102-N106 PolarHBondContact O-ND2 3.04Å
103I91.9Very high88.8Confident0 Ų054.5 Ų54.50%027%0.265CS..Hα-helixtrans-61-54.5176.1-75.2171.9000109.7R99 E100 V101 L105 N106 I107 I173 F196 A199 Y201R99-I103 HydrophobicContact CG-CD1 3.94Å; R99-I103 HydrophobicContact CG-CG1 4.44Å; R99-I103 WeakPolarHBondContact O-CB 3.45Å; R99-I103 WeakPolarHBondContact O-CG1 3.4Å; R99-I103 PolarHBondContact O-N 2.79Å; E100-I103 PolarHBondContact O-N 3.15Å; V101-I103 PolarHBondContact O-N 3.26Å; I103-L105 VanDerWaalsContact C-N 3.31Å; I103-L105 PolarHBondContact O-N 3.46Å; I103-N106 PolarHBondContact O-N 2.93Å; I103-N106 VanDerWaalsContact O-N 3.12Å; I103-I107 HydrophobicContact CG2-CD1 3.75Å; I103-I107 WeakPolarHBondContact O-CG1 3.19Å; I103-I107 PolarHBondContact O-N 3.38Å; I103-I173 HydrophobicContact CG2-CD1 4.06Å; I103-I173 HydrophobicContact CG2-CG2 4.48Å; I103-F196 HydrophobicContact CG2-CB 4.46Å; I103-F196 HydrophobicContact CG2-CD1 3.79Å; I103-F196 HydrophobicContact CG2-CE1 4.43Å; I103-F196 HydrophobicContact CG2-CG 4.32Å; I103-A199 HydrophobicContact CD1-CB 3.74Å; I103-Y201 HydrophobicContact CG1-CE2 4.31Å
104L93Very high89.9Confident4 Ų456.7 Ų56.72%0.02127%0.269CS..Hα-helixtrans-66.8-28.9-174.8-72.6173.8000113.7E100 V101 N106 I107 I113 L115 L129 L131 F196E100-L104 HydrophobicContact CG-CD1 3.89Å; E100-L104 WeakPolarHBondContact O-CB 3.42Å; E100-L104 WeakPolarHBondContact O-CG 3.38Å; E100-L104 PolarHBondContact O-N 2.95Å; V101-L104 PolarHBondContact O-N 2.86Å; L104-N106 VanDerWaalsContact C-N 3.33Å; L104-I107 HydrophobicContact CD2-CD1 4.36Å; L104-I113 HydrophobicContact CD2-CG2 4.01Å; L104-L115 HydrophobicContact CB-CB 3.77Å; L104-L115 HydrophobicContact CB-CD2 3.93Å; L104-L115 HydrophobicContact CB-CG 4.46Å; L104-L129 HydrophobicContact CD1-CD1 4.39Å; L104-L131 HydrophobicContact CD1-CD2 4.14Å; L104-F196 HydrophobicContact CD2-CD2 3.69Å; L104-F196 HydrophobicContact CD2-CE2 4.03Å; L104-F196 HydrophobicContact CD2-CG 4.2Å; L104-F196 HydrophobicContact CG-CD2 4.39Å
105L90.9Very high90.9Very high112 Ų11256.3 Ų56.359%0.58627%0.266SS*.Hα-helixtrans-68.3-31.6173.9-77.1174.8000112.8V101 I103 L115V101-L105 HydrophobicContact CG1-CD1 3.61Å; V101-L105 HydrophobicContact CG1-CG 4.11Å; V101-L105 WeakPolarHBondContact O-CB 3.33Å; V101-L105 VanDerWaalsContact O-CG 3.24Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.47Å; I103-L105 VanDerWaalsContact C-N 3.31Å; I103-L105 PolarHBondContact O-N 3.46Å; L105-L115 HydrophobicContact CD2-CD2 3.74Å; L105-L115 HydrophobicContact CG-CD2 3.78Å
106N91.4Very high91.6Very high110 Ų11052.4 Ų52.459%0.58825%0.245SC*.Hα-helixtrans-97.3-2.5-173.6-72.5-69.4000113.8N102 I103 L104N102-N106 PolarHBondContact O-N 3.39Å; N102-N106 PolarHBondContact O-ND2 3.04Å; I103-N106 PolarHBondContact O-N 2.93Å; I103-N106 VanDerWaalsContact O-N 3.12Å; L104-N106 VanDerWaalsContact C-N 3.33Å
107I93.7Very high92.3Very high14 Ų1450.9 Ų50.97%0.07223%0.233CC..  trans-120140.3-179.169.4-177.7000112.2I103 L104 I112 F167 L168 I173 F196I103-I107 HydrophobicContact CG2-CD1 3.75Å; I103-I107 WeakPolarHBondContact O-CG1 3.19Å; I103-I107 PolarHBondContact O-N 3.38Å; L104-I107 HydrophobicContact CD2-CD1 4.36Å; I107-I112 HydrophobicContact CD1-CG2 3.76Å; I107-I112 HydrophobicContact CG1-CG2 4.29Å; I107-F167 HydrophobicContact CB-CE1 3.9Å; I107-F167 HydrophobicContact CB-CZ 4.18Å; I107-F167 HydrophobicContact CG2-CE1 4.23Å; I107-F167 HydrophobicContact CG2-CZ 4.48Å; I107-L168 HydrophobicContact CD1-CD2 3.85Å; I107-I173 HydrophobicContact CG2-CD1 3.61Å; I107-F196 HydrophobicContact CD1-CE1 4.11Å; I107-F196 HydrophobicContact CD1-CZ 4.29Å
108R95.5Very high92.8Very high185 Ų18551.6 Ų51.670%0.69824%0.237SC*.  trans-145.2117.3172.9-171.8173.1177.8173.7-3.4109.8
109H97.9Very high93.1Very high52 Ų5247.5 Ų47.524%0.24122%0.215CC..  trans-153.3149.9178-176.8-98.8000109.2N111 I112 F167H109-N111 VanDerWaalsContact C-N 3.28Å; H109-N111 PolarHBondContact CE1-OD1 2.98Å; H109-N111 PolarHBondContact ND1-N 3.35Å; H109-N111 VanDerWaalsContact ND1-N 3.14Å; H109-N111 PolarHBondContact O-N 3.04Å; H109-I112 HydrophobicContact CB-CB 4.17Å; H109-I112 HydrophobicContact CB-CG1 3.73Å; H109-I112 PolarHBondContact O-N 2.82Å; H109-I112 VanDerWaalsContact O-N 3.15Å; H109-I112 VanDerWaalsContact O-O 3.09Å; H109-F167 HydrophobicContact CB-CD1 3.6Å; H109-F167 HydrophobicContact CB-CD2 4.18Å; H109-F167 HydrophobicContact CB-CE1 3.79Å; H109-F167 HydrophobicContact CB-CE2 4.33Å; H109-F167 HydrophobicContact CB-CG 3.82Å; H109-F167 HydrophobicContact CB-CZ 4.15Å; H109-F167 AromaticContact CD2-CD2 3.89Å; H109-F167 AromaticContact CD2-CG 3.77Å; H109-F167 AromaticContact CG-CD1 3.99Å; H109-F167 AromaticContact CG-CG 3.78Å
110R97.4Very high93.2Very high114 Ų11446.5 Ų46.543%0.4322%0.218SC..THydrogen-bonded Turntrans-59.3-39.8-17669.8-171.7-57.5-127.2-3.6112.5I112 E163 K192 E346R110-I112 VanDerWaalsContact C-N 3.32Å; R110-I112 PolarHBondContact O-N 3.13Å; R110-E163 IonicContact NH1-OE2 2.71Å; R110-K192 WeakPolarHBondContact O-CG 3.41Å; R110-K192 PolarHBondContact O-NZ 3.25Å; R110-E346 IonicContact CZ-OE1 3.83Å; R110-E346 IonicContact CZ-OE2 3.99Å; R110-E346 IonicContact NH1-OE1 3.77Å; R110-E346 PolarHBondContact NH1-OE1 3.39Å; R110-E346 IonicContact NH2-OE1 3.66Å; R110-E346 PolarHBondContact NH2-OE1 3.45Å; R110-E346 IonicContact NH2-OE2 2.72Å; R110-E346 PolarHBondContact NH2-OE2 3.37Å
111N98.2Very high93Very high0 Ų047.6 Ų47.60%023%0.226CC..THydrogen-bonded Turntrans-91.518-179.8-50.2105.8000114.5H109 Q160 E163 L191 K192 I193H109-N111 VanDerWaalsContact C-N 3.28Å; H109-N111 PolarHBondContact CE1-OD1 2.98Å; H109-N111 PolarHBondContact ND1-N 3.35Å; H109-N111 VanDerWaalsContact ND1-N 3.14Å; H109-N111 PolarHBondContact O-N 3.04Å; N111-Q160 WeakPolarHBondContact CB-O 3.24Å; N111-Q160 VanDerWaalsContact CG-O 3.32Å; N111-Q160 WeakPolarHBondContact ND2-CB 3.14Å; N111-Q160 PolarHBondContact ND2-OE1 3.01Å; N111-Q160 VanDerWaalsContact ND2-OE1 3.14Å; N111-E163 PolarHBondContact OD1-OE2 3.29Å; N111-L191 WeakPolarHBondContact CA-O 3.2Å; N111-L191 WeakPolarHBondContact CB-O 3.48Å; N111-L191 PolarHBondContact ND2-O 3.34Å; N111-K192 WeakPolarHBondContact O-CA 3.42Å; N111-I193 PolarHBondContact O-N 3.31Å
112I98Very high92.4Very high3 Ų357.3 Ų57.32%0.01526%0.26CS..BIsolated β-bridgetrans-123.8137.4174.8-55.5-62.9000107.9I107 H109 R110 R114 F167 L168 I193 F196I107-I112 HydrophobicContact CD1-CG2 3.76Å; I107-I112 HydrophobicContact CG1-CG2 4.29Å; H109-I112 HydrophobicContact CB-CB 4.17Å; H109-I112 HydrophobicContact CB-CG1 3.73Å; H109-I112 PolarHBondContact O-N 2.82Å; H109-I112 VanDerWaalsContact O-N 3.15Å; H109-I112 VanDerWaalsContact O-O 3.09Å; R110-I112 VanDerWaalsContact C-N 3.32Å; R110-I112 PolarHBondContact O-N 3.13Å; I112-R114 PolarHBondContact O-N 3.13Å; I112-F167 HydrophobicContact CG1-CD1 4.13Å; I112-L168 HydrophobicContact CD1-CD1 3.75Å; I112-L168 HydrophobicContact CD1-CD2 3.94Å; I112-L168 HydrophobicContact CD1-CG 3.69Å; I112-L168 HydrophobicContact CG1-CD2 4.39Å; I112-I193 HydrophobicContact CD1-CB 3.98Å; I112-I193 HydrophobicContact CD1-CD1 4.01Å; I112-I193 HydrophobicContact CD1-CG1 4.34Å; I112-F196 HydrophobicContact CD1-CZ 4.23Å; I112-F196 HydrophobicContact CG2-CE2 3.89Å; I112-F196 HydrophobicContact CG2-CZ 3.65Å
113I96.7Very high91.8Very high5 Ų558.4 Ų58.43%0.02627%0.266CS..PPolyproline II helixtrans-60.7129.4177.3-163.168.2000110.5L104 L131 E132 L184 K192 I193 A194 F196L104-I113 HydrophobicContact CD2-CG2 4.01Å; I113-L131 HydrophobicContact CG1-CB 4.29Å; I113-L131 HydrophobicContact CG1-CD2 4.25Å; I113-L131 HydrophobicContact CG2-CD2 4.44Å; I113-E132 HydrophobicContact CD1-CG 3.39Å; I113-E132 HydrophobicContact CG1-CG 4.18Å; I113-L184 HydrophobicContact CD1-CD1 3.97Å; I113-K192 HydrophobicContact CD1-CD 4.29Å; I113-I193 PolarHBondContact N-O 3.15Å; I113-A194 HydrophobicContact CB-CB 4.1Å; I113-A194 HydrophobicContact CG2-CB 4Å; I113-F196 HydrophobicContact CG2-CD2 4.45Å; I113-F196 HydrophobicContact CG2-CE2 4.21Å
114R95.9Very high90.7Very high114 Ų11465.9 Ų65.943%0.4330%0.304SS..PPolyproline II helixtrans-86.8127.8179.8-175.9178176.3-166.9-4.5110.9I112 L131 E132I112-R114 PolarHBondContact O-N 3.13Å; R114-L131 WeakPolarHBondContact O-CA 3.23Å; R114-E132 HydrophobicContact CB-CB 4.44Å; R114-E132 HydrophobicContact CB-CG 4.11Å; R114-E132 VanDerWaalsContact CB-OE1 3.25Å; R114-E132 WeakPolarHBondContact CB-OE1 3.21Å; R114-E132 PolarHBondContact N-OE1 3.15Å; R114-E132 PolarHBondContact O-N 3.44Å
115L94.8Very high89.7Confident16 Ų1670.1 Ų70.18%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-78.7118.1160.8-176.468.8000109.2L104 L105 D117 V118 L129 L131L104-L115 HydrophobicContact CB-CB 3.77Å; L104-L115 HydrophobicContact CB-CD2 3.93Å; L104-L115 HydrophobicContact CB-CG 4.46Å; L105-L115 HydrophobicContact CD2-CD2 3.74Å; L105-L115 HydrophobicContact CG-CD2 3.78Å; L115-D117 VanDerWaalsContact CD1-O 3.29Å; L115-D117 WeakPolarHBondContact CD1-O 3.41Å; L115-V118 HydrophobicContact CD2-CG2 4.3Å; L115-L129 HydrophobicContact CD1-CB 3.78Å; L115-L129 HydrophobicContact CD1-CD2 4.15Å; L115-L129 HydrophobicContact CD1-CG 4.42Å; L115-L131 HydrophobicContact CB-CD2 4.32Å; L115-L131 HydrophobicContact CD1-CD2 4.02Å
116I93.4Very high89.2Confident52 Ų5265.6 Ų65.627%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-86.2-46.7178.7-60.5174.3000109.6V79 V130 E132V79-I116 HydrophobicContact CG1-CD1 3.85Å; I116-V130 WeakPolarHBondContact CA-O 3.33Å; I116-V130 HydrophobicContact CB-CG1 4.26Å; I116-V130 WeakPolarHBondContact CB-O 3.49Å; I116-V130 PolarHBondContact N-O 2.82Å; I116-E132 HydrophobicContact CD1-CB 4.18Å
117D91.1Very high89Confident17 Ų1761.1 Ų61.19%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-159.7171.5-176.1-145-34.4000111.5R48 L115 V130R48-D117 WeakPolarHBondContact CD-OD2 3.28Å; L115-D117 VanDerWaalsContact CD1-O 3.29Å; L115-D117 WeakPolarHBondContact CD1-O 3.41Å; D117-V130 HydrophobicContact CB-CB 3.94Å; D117-V130 HydrophobicContact CB-CG2 3.98Å; D117-V130 PolarHBondContact N-O 3.35Å; D117-V130 WeakPolarHBondContact O-CA 3.28Å; D117-V130 WeakPolarHBondContact O-CB 3.22Å; D117-V130 PolarHBondContact O-N 3.49Å
118V90.9Very high88.9Confident23 Ų2360.9 Ų60.914%0.13928%0.278CS..EExtended strand (participates in β ladder)trans-117.7116.4168.7-179.70000108.2C47 R48 V101 L115 F127 L129C47-V118 WeakPolarHBondContact CA-O 3.43Å; C47-V118 VanDerWaalsContact CB-O 3.29Å; C47-V118 WeakPolarHBondContact CB-O 3.19Å; R48-V118 PolarHBondContact N-O 2.89Å; V101-V118 HydrophobicContact CG1-CG2 4.25Å; L115-V118 HydrophobicContact CD2-CG2 4.3Å; V118-F127 HydrophobicContact CG1-CD2 3.88Å; V118-L129 HydrophobicContact CG2-CD2 4.32Å
119A90.7Very high88.7Confident0 Ų052 Ų520%024%0.244CC..EExtended strand (participates in β ladder)trans-100.3136.7-178.500000111.9R48 F53 F127 Y128 V130R48-A119 CarbonylContact O-C 3.53Å; R48-A119 WeakPolarHBondContact O-CA 3.18Å; F53-A119 HydrophobicContact CD2-CB 3.88Å; F53-A119 HydrophobicContact CE2-CB 3.66Å; A119-F127 CarbonylContact O-C 3.5Å; A119-F127 WeakPolarHBondContact O-CA 3.42Å; A119-F127 WeakPolarHBondContact O-CB 3.38Å; A119-Y128 PolarHBondContact N-O 3.14Å; A119-Y128 PolarHBondContact O-N 3.28Å; A119-V130 HydrophobicContact CB-CG2 3.71Å
120V87.9Confident88.5Confident54 Ų5449.6 Ų49.633%0.32723%0.233SC..EExtended strand (participates in β ladder)trans-112.2135.5-175.4-172.30000110.3C47 R48 V50 F127C47-V120 HydrophobicContact CB-CG2 3.66Å; R48-V120 PolarHBondContact O-N 3.08Å; V50-V120 PolarHBondContact N-O 3.08Å; V120-F127 HydrophobicContact CG2-CB 4.47Å
121S84.2Confident88.4Confident27 Ų2745 Ų4519%0.18922%0.217CC..  trans-77.2173.4172.7-166.90000111D123 T126S121-D123 PolarHBondContact O-N 3.32Å; S121-D123 PolarHBondContact OG-OD2 2.99Å; S121-T126 WeakPolarHBondContact CB-O 3.36Å; S121-T126 PolarHBondContact N-O 3.16Å
122R77Confident88.3Confident223 Ų22347 Ų4784%0.84223%0.226SC*.SBendtrans-67.8-27166.5-62.9-174.6-162.2179.95111.7I124R122-I124 PolarHBondContact O-N 3.37Å
123D76.5Confident88.1Confident101 Ų10148.3 Ų48.354%0.5423%0.231SC..SBendtrans-74.9121.2173.9-48.5-51.8000108.8S121 D125 T126S121-D123 PolarHBondContact O-N 3.32Å; S121-D123 PolarHBondContact OG-OD2 2.99Å; D123-D125 PolarHBondContact O-N 3.22Å; D123-D125 VanDerWaalsContact O-N 3.08Å; D123-T126 PolarHBondContact O-N 2.72Å
124I68.8Low88Confident157 Ų15748.7 Ų48.781%0.80523%0.234SC*.THydrogen-bonded Turntrans-55.1-31.8-175.8-61.6170.4000111.3R122R122-I124 PolarHBondContact O-N 3.37Å
125D72.1Confident87.7Confident93 Ų9344.8 Ų44.850%0.49722%0.221SC..THydrogen-bonded Turntrans-87-9.3-175.7-59.3-37.7000112.8T86 D123T86-D125 VanDerWaalsContact CB-O 3.25Å; T86-D125 WeakPolarHBondContact CB-O 3.39Å; T86-D125 HydrophobicContact CG2-CB 3.95Å; T86-D125 WeakPolarHBondContact CG2-O 3.46Å; T86-D125 PolarHBondContact OG1-O 2.98Å; D123-D125 PolarHBondContact O-N 3.22Å; D123-D125 VanDerWaalsContact O-N 3.08Å
126T80.7Confident87.3Confident17 Ų1744.6 Ų44.610%0.10422%0.219CC..  trans-112.3117.6-175-58.90000112.2K83 S121 D123 Y128K83-T126 HydrophobicContact CD-CG2 4.44Å; K83-T126 HydrophobicContact CG-CG2 4.22Å; S121-T126 WeakPolarHBondContact CB-O 3.36Å; S121-T126 PolarHBondContact N-O 3.16Å; D123-T126 PolarHBondContact O-N 2.72Å; T126-Y128 HydrophobicContact CG2-CD2 4.38Å; T126-Y128 HydrophobicContact CG2-CE2 3.6Å
127F87.5Confident87.3Confident16 Ų1643.3 Ų43.37%0.0721%0.213CC..EExtended strand (participates in β ladder)trans-130163.7168.971.8-79.3000111.4M84 I93 V101 V118 A119 V120 L129M84-F127 HydrophobicContact CB-CD1 4.23Å; M84-F127 HydrophobicContact CB-CD2 4.27Å; M84-F127 HydrophobicContact CB-CE1 3.79Å; M84-F127 HydrophobicContact CB-CE2 3.88Å; M84-F127 HydrophobicContact CB-CG 4.46Å; M84-F127 HydrophobicContact CB-CZ 3.63Å; M84-F127 HydrophobicContact CG-CD2 3.89Å; M84-F127 HydrophobicContact CG-CE1 4.29Å; M84-F127 HydrophobicContact CG-CE2 3.43Å; M84-F127 VanDerWaalsContact CG-CE2 3.43Å; M84-F127 HydrophobicContact CG-CZ 3.66Å; M84-F127 PolarHBondContact N-O 3.07Å; I93-F127 HydrophobicContact CB-CE1 4.41Å; I93-F127 HydrophobicContact CD1-CD1 4.3Å; I93-F127 HydrophobicContact CD1-CE1 4.03Å; I93-F127 HydrophobicContact CG1-CE1 4.04Å; I93-F127 HydrophobicContact CG2-CE1 3.55Å; I93-F127 HydrophobicContact CG2-CZ 3.78Å; V101-F127 HydrophobicContact CG2-CE2 4.13Å; V118-F127 HydrophobicContact CG1-CD2 3.88Å; A119-F127 CarbonylContact O-C 3.5Å; A119-F127 WeakPolarHBondContact O-CA 3.42Å; A119-F127 WeakPolarHBondContact O-CB 3.38Å; V120-F127 HydrophobicContact CG2-CB 4.47Å; F127-L129 HydrophobicContact CD2-CD2 4.47Å; F127-L129 HydrophobicContact CE2-CD2 4.14Å
128Y91.2Very high87.4Confident9 Ų942.5 Ų42.54%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-129136.9-174.1-63.4-101.2000109.3V50 Y68 L81 K82 K83 A119 T126V50-Y128 HydrophobicContact CB-CD2 4.22Å; V50-Y128 HydrophobicContact CB-CE2 4.32Å; V50-Y128 HydrophobicContact CG2-CD2 3.61Å; V50-Y128 HydrophobicContact CG2-CE2 3.66Å; V50-Y128 HydrophobicContact CG2-CG 4.16Å; Y68-Y128 HydrophobicContact CD2-CE1 4.47Å; Y68-Y128 HydrophobicContact CE2-CE1 4.44Å; L81-Y128 HydrophobicContact CB-CD1 4.11Å; K82-Y128 CarbonylContact O-C 3.53Å; K82-Y128 VanDerWaalsContact O-CA 3.3Å; K82-Y128 WeakPolarHBondContact O-CA 3.35Å; K83-Y128 HydrophobicContact CB-CD1 3.79Å; K83-Y128 HydrophobicContact CB-CE1 3.5Å; K83-Y128 VanDerWaalsContact CB-CE1 3.5Å; K83-Y128 HydrophobicContact CD-CE1 4.19Å; K83-Y128 HydrophobicContact CG-CD1 4.23Å; K83-Y128 HydrophobicContact CG-CE1 3.68Å; A119-Y128 PolarHBondContact N-O 3.14Å; A119-Y128 PolarHBondContact O-N 3.28Å; T126-Y128 HydrophobicContact CG2-CD2 4.38Å; T126-Y128 HydrophobicContact CG2-CE2 3.6Å
129L92.1Very high87.4Confident0 Ų042.6 Ų42.60%021%0.212CC..EExtended strand (participates in β ladder)trans-82.1124.2164.2-53-175.4000108.1L81 K82 M84 E100 V101 L104 L115 V118 F127 L131L81-L129 WeakPolarHBondContact CA-O 3.29Å; K82-L129 HydrophobicContact CB-CB 4.28Å; K82-L129 HydrophobicContact CD-CD1 4.49Å; K82-L129 PolarHBondContact N-O 3.07Å; K82-L129 PolarHBondContact O-N 2.87Å; M84-L129 HydrophobicContact CE-CD1 4.32Å; M84-L129 HydrophobicContact CG-CD2 4.39Å; M84-L129 HydrophobicContact CG-CG 4.04Å; M84-L129 HydrophobicContact SD-CD1 3.75Å; M84-L129 HydrophobicContact SD-CG 3.77Å; E100-L129 HydrophobicContact CG-CD1 4.09Å; V101-L129 HydrophobicContact CG2-CD2 3.45Å; V101-L129 VanDerWaalsContact CG2-CD2 3.45Å; L104-L129 HydrophobicContact CD1-CD1 4.39Å; L115-L129 HydrophobicContact CD1-CB 3.78Å; L115-L129 HydrophobicContact CD1-CD2 4.15Å; L115-L129 HydrophobicContact CD1-CG 4.42Å; V118-L129 HydrophobicContact CG2-CD2 4.32Å; F127-L129 HydrophobicContact CD2-CD2 4.47Å; F127-L129 HydrophobicContact CE2-CD2 4.14Å; L129-L131 HydrophobicContact CB-CD1 4.45Å; L129-L131 HydrophobicContact CB-CD2 4.48Å; L129-L131 HydrophobicContact CB-CG 4.18Å
130V94.5Very high87.3Confident0 Ų044.6 Ų44.60%022%0.223CC..EExtended strand (participates in β ladder)trans-91.2103.4172.2-170.30000107F53 V79 L81 I116 D117 A119F53-V130 HydrophobicContact CD1-CG1 4.16Å; F53-V130 HydrophobicContact CD2-CG2 4.36Å; F53-V130 HydrophobicContact CE1-CB 4.48Å; F53-V130 HydrophobicContact CE1-CG1 3.59Å; F53-V130 HydrophobicContact CE1-CG2 4.11Å; F53-V130 HydrophobicContact CE2-CG2 3.81Å; F53-V130 HydrophobicContact CZ-CB 4.36Å; F53-V130 HydrophobicContact CZ-CG1 3.93Å; F53-V130 HydrophobicContact CZ-CG2 3.65Å; V79-V130 HydrophobicContact CB-CG1 3.92Å; V79-V130 HydrophobicContact CG1-CG1 4.12Å; V79-V130 HydrophobicContact CG2-CG1 3.89Å; L81-V130 HydrophobicContact CD2-CB 4.26Å; L81-V130 HydrophobicContact CD2-CG1 4.22Å; L81-V130 HydrophobicContact CD2-CG2 3.73Å; I116-V130 WeakPolarHBondContact CA-O 3.33Å; I116-V130 HydrophobicContact CB-CG1 4.26Å; I116-V130 WeakPolarHBondContact CB-O 3.49Å; I116-V130 PolarHBondContact N-O 2.82Å; D117-V130 HydrophobicContact CB-CB 3.94Å; D117-V130 HydrophobicContact CB-CG2 3.98Å; D117-V130 PolarHBondContact N-O 3.35Å; D117-V130 WeakPolarHBondContact O-CA 3.28Å; D117-V130 WeakPolarHBondContact O-CB 3.22Å; D117-V130 PolarHBondContact O-N 3.49Å; A119-V130 HydrophobicContact CB-CG2 3.71Å
131L95.3Very high87.5Confident17 Ų1742.1 Ų42.19%0.08921%0.207CC..EExtended strand (participates in β ladder)trans-105.2155.6-177-61.7163.2000109.8A80 K82 L104 I113 R114 L115 L129A80-L131 HydrophobicContact CB-CB 4.26Å; A80-L131 PolarHBondContact N-O 3.46Å; A80-L131 PolarHBondContact O-N 3.26Å; K82-L131 HydrophobicContact CB-CD1 4.05Å; K82-L131 HydrophobicContact CD-CD1 4.46Å; L104-L131 HydrophobicContact CD1-CD2 4.14Å; I113-L131 HydrophobicContact CG1-CB 4.29Å; I113-L131 HydrophobicContact CG1-CD2 4.25Å; I113-L131 HydrophobicContact CG2-CD2 4.44Å; R114-L131 WeakPolarHBondContact O-CA 3.23Å; L115-L131 HydrophobicContact CB-CD2 4.32Å; L115-L131 HydrophobicContact CD1-CD2 4.02Å; L129-L131 HydrophobicContact CB-CD1 4.45Å; L129-L131 HydrophobicContact CB-CD2 4.48Å; L129-L131 HydrophobicContact CB-CG 4.18Å
132E95.3Very high87.8Confident43 Ų4341.5 Ų41.520%0.20120%0.202CC..EExtended strand (participates in β ladder)trans-58.2144.7165.769.6-177.2138.600110.6I113 R114 I116 K192I113-E132 HydrophobicContact CD1-CG 3.39Å; I113-E132 HydrophobicContact CG1-CG 4.18Å; R114-E132 HydrophobicContact CB-CB 4.44Å; R114-E132 HydrophobicContact CB-CG 4.11Å; R114-E132 VanDerWaalsContact CB-OE1 3.25Å; R114-E132 WeakPolarHBondContact CB-OE1 3.21Å; R114-E132 PolarHBondContact N-OE1 3.15Å; R114-E132 PolarHBondContact O-N 3.44Å; I116-E132 HydrophobicContact CD1-CB 4.18Å; E132-K192 HydrophobicContact CG-CD 4.39Å; E132-K192 WeakPolarHBondContact OE1-CD 3.31Å; E132-K192 WeakPolarHBondContact OE1-CE 3.5Å; E132-K192 IonicContact OE1-NZ 2.82Å; E132-K192 PolarHBondContact OE1-NZ 3.27Å; E132-K192 WeakPolarHBondContact OE2-CE 3.43Å; E132-K192 IonicContact OE2-NZ 3.56Å; E132-K192 PolarHBondContact OE2-NZ 3.34Å
133Y94.5Very high88.5Confident30 Ų3037.3 Ų37.312%0.11820%0.196CC..  trans-87.1131.8-179.6-179.8-99.7000110.5I59 R69 I78 A80 E135I59-Y133 HydrophobicContact CD1-CD2 4.25Å; I59-Y133 HydrophobicContact CD1-CE2 3.93Å; R69-Y133 HydrophobicContact CB-CE2 4.08Å; R69-Y133 HydrophobicContact CG-CD2 4.07Å; R69-Y133 HydrophobicContact CG-CE2 3.73Å; I78-Y133 HydrophobicContact CG2-CD1 3.83Å; I78-Y133 HydrophobicContact CG2-CD2 4.06Å; I78-Y133 HydrophobicContact CG2-CE1 4.36Å; I78-Y133 HydrophobicContact CG2-CG 3.66Å; I78-Y133 WeakPolarHBondContact O-CB 3.27Å; A80-Y133 HydrophobicContact CB-CD2 4.44Å; Y133-E135 HydrophobicContact CE1-CG 4.04Å
134C93.4Very high89Confident13 Ų1335.9 Ų35.99%0.08819%0.189CC..  trans-116.7145.7168-57.40000108.5L184 T186 K192C134-L184 HydrophobicContact CB-CB 3.59Å; C134-L184 HydrophobicContact CB-CD1 4.11Å; C134-L184 HydrophobicContact CB-CG 4.42Å; C134-T186 HydrophobicContact CB-CG2 4.42Å; C134-K192 VanDerWaalsContact SG-CD 3.59Å
135E88.8Confident90Very high32 Ų3229.3 Ų29.315%0.1516%0.155CC..SBendtrans-72.8-37.9-170.3-75.380.4-176.300113.7Y133 L185 T186 N187Y133-E135 HydrophobicContact CE1-CG 4.04Å; E135-L185 PolarHBondContact N-O 2.98Å; E135-T186 WeakPolarHBondContact OE2-CA 3.26Å; E135-N187 HydrophobicContact CG-CB 4.45Å; E135-N187 VanDerWaalsContact CG-CG 3.42Å; E135-N187 WeakPolarHBondContact CG-ND2 3.15Å; E135-N187 VanDerWaalsContact CG-OD1 3.26Å; E135-N187 WeakPolarHBondContact CG-OD1 3.47Å; E135-N187 VanDerWaalsContact OE1-CG 3.24Å; E135-N187 PolarHBondContact OE1-ND2 2.83Å; E135-N187 PolarHBondContact OE2-N 2.85Å
136Q88.4Confident90.6Very high12 Ų1231.7 Ų31.76%0.05617%0.173CC..EExtended strand (participates in β ladder)trans-145.3154.2-176.6-56.1-164.417.400111.7L184 L185Q136-L184 CarbonylContact O-C 3.6Å; Q136-L184 WeakPolarHBondContact O-CA 3.3Å; Q136-L185 PolarHBondContact N-O 3.16Å; Q136-L185 PolarHBondContact O-N 3.36Å
137D91.5Very high91Very high26 Ų2635.8 Ų35.814%0.13920%0.198CC..EExtended strand (participates in β ladder)trans-91.5150.7162.360.896.5000110.3A139 N140 L141 L183 L184 R356D137-A139 VanDerWaalsContact C-N 3.26Å; D137-A139 PolarHBondContact O-N 3.17Å; D137-A139 WeakPolarHBondContact OD1-CB 3.4Å; D137-A139 PolarHBondContact OD1-N 3.08Å; D137-N140 PolarHBondContact O-N 3.25Å; D137-N140 WeakPolarHBondContact OD1-CB 3.45Å; D137-N140 PolarHBondContact OD1-N 2.99Å; D137-N140 WeakPolarHBondContact OD2-CB 3.44Å; D137-L141 WeakPolarHBondContact O-CB 3.38Å; D137-L141 PolarHBondContact O-N 3.46Å; D137-L183 CarbonylContact C-O 3.49Å; D137-L183 WeakPolarHBondContact CA-O 3.46Å; D137-L184 HydrophobicContact CB-CD2 3.73Å; D137-R356 IonicContact OD2-NH2 3.65Å; D137-R356 PolarHBondContact OD2-NH2 3.04Å
138L93.4Very high91.2Very high0 Ų038 Ų380%021%0.214CC..Hα-helixtrans-65.1-29.1-176.9-74-170000112.8L141 M142 L157 M180 L183 L185 L191L138-L141 HydrophobicContact CD2-CD2 4.03Å; L138-L141 PolarHBondContact O-N 3.36Å; L138-M142 WeakPolarHBondContact O-CB 3.32Å; L138-M142 WeakPolarHBondContact O-CG 3.49Å; L138-M142 PolarHBondContact O-N 3.21Å; L138-L157 HydrophobicContact CD2-CD2 4.46Å; L138-M180 HydrophobicContact CB-CE 3.76Å; L138-M180 HydrophobicContact CB-SD 4.25Å; L138-M180 HydrophobicContact CD1-CE 4.31Å; L138-M180 HydrophobicContact CD1-SD 4.37Å; L138-M180 PolarHBondContact N-O 3.02Å; L138-L183 HydrophobicContact CB-CB 4.24Å; L138-L183 HydrophobicContact CD1-CB 3.77Å; L138-L183 HydrophobicContact CD1-CD1 3.82Å; L138-L183 HydrophobicContact CD1-CG 4.48Å; L138-L183 HydrophobicContact CG-CB 3.93Å; L138-L183 PolarHBondContact N-O 3.3Å; L138-L185 HydrophobicContact CD2-CB 4.31Å; L138-L185 HydrophobicContact CD2-CD2 4.37Å; L138-L191 HydrophobicContact CD1-CD1 3.76Å
139A91.7Very high91.4Very high24 Ų2438.2 Ų38.220%0.19822%0.215CC..Hα-helixtrans-63.4-55.3176.500000110.7D137 L141 M142 D143 M180D137-A139 VanDerWaalsContact C-N 3.26Å; D137-A139 PolarHBondContact O-N 3.17Å; D137-A139 WeakPolarHBondContact OD1-CB 3.4Å; D137-A139 PolarHBondContact OD1-N 3.08Å; A139-L141 PolarHBondContact O-N 2.81Å; A139-M142 PolarHBondContact O-N 3Å; A139-D143 PolarHBondContact O-N 3.38Å; A139-M180 HydrophobicContact CB-CB 3.8Å; A139-M180 PolarHBondContact N-O 3.24Å
140N89.5Confident91.5Very high42 Ų4241.7 Ų41.723%0.22524%0.236CC..Hα-helixtrans-60.7-32.8176.5-178.975.2000111.9D137 N144D137-N140 PolarHBondContact O-N 3.25Å; D137-N140 WeakPolarHBondContact OD1-CB 3.45Å; D137-N140 PolarHBondContact OD1-N 2.99Å; D137-N140 WeakPolarHBondContact OD2-CB 3.44Å; N140-N144 PolarHBondContact O-N 3.29Å; N140-N144 PolarHBondContact O-ND2 2.96Å; N140-N144 PolarHBondContact OD1-ND2 3.29Å; N140-N144 VanDerWaalsContact OD1-ND2 3.1Å
141L90.3Very high91.6Very high2 Ų244.2 Ų44.21%0.0125%0.248CC..Hα-helixtrans-66.6-46176.8-177.956.7000112D137 L138 A139 D143 N144 M145 F149 L185 F352D137-L141 WeakPolarHBondContact O-CB 3.38Å; D137-L141 PolarHBondContact O-N 3.46Å; L138-L141 HydrophobicContact CD2-CD2 4.03Å; L138-L141 PolarHBondContact O-N 3.36Å; A139-L141 PolarHBondContact O-N 2.81Å; L141-D143 VanDerWaalsContact C-N 3.32Å; L141-D143 PolarHBondContact O-N 3.34Å; L141-N144 PolarHBondContact O-N 3.06Å; L141-M145 WeakPolarHBondContact O-CB 3.41Å; L141-M145 PolarHBondContact O-N 3.36Å; L141-F149 HydrophobicContact CD2-CE2 4.33Å; L141-F149 HydrophobicContact CD2-CZ 3.66Å; L141-F149 HydrophobicContact CG-CZ 4.28Å; L141-L185 HydrophobicContact CD2-CD2 3.8Å; L141-F352 HydrophobicContact CD1-CB 4.01Å; L141-F352 HydrophobicContact CD1-CD1 3.55Å; L141-F352 HydrophobicContact CD1-CD2 3.39Å; L141-F352 HydrophobicContact CD1-CE1 3.74Å; L141-F352 HydrophobicContact CD1-CE2 3.59Å; L141-F352 HydrophobicContact CD1-CG 3.34Å; L141-F352 HydrophobicContact CD1-CZ 3.75Å; L141-F352 HydrophobicContact CD2-CD2 3.87Å; L141-F352 HydrophobicContact CD2-CE2 3.63Å; L141-F352 HydrophobicContact CD2-CZ 4.25Å; L141-F352 HydrophobicContact CG-CD2 4.25Å; L141-F352 HydrophobicContact CG-CE2 4.1Å; L141-F352 HydrophobicContact CG-CZ 4.31Å
142M92.3Very high91.7Very high14 Ų1444.7 Ų44.77%0.06925%0.253CS..Hα-helixtrans-63.3-36.8178-70.7-74.8-73.500112.5L138 A139 N144 M145 F149 M180 E245 L246 H249L138-M142 WeakPolarHBondContact O-CB 3.32Å; L138-M142 WeakPolarHBondContact O-CG 3.49Å; L138-M142 PolarHBondContact O-N 3.21Å; A139-M142 PolarHBondContact O-N 3Å; M142-N144 VanDerWaalsContact C-N 3.28Å; M142-N144 PolarHBondContact O-N 3.38Å; M142-M145 HydrophobicContact CG-SD 4.46Å; M142-M145 HydrophobicContact SD-SD 3.66Å; M142-M145 VanDerWaalsContact SD-SD 3.66Å; M142-F149 HydrophobicContact SD-CD2 3.84Å; M142-F149 HydrophobicContact SD-CE2 3.88Å; M142-M180 HydrophobicContact CE-CE 4.45Å; M142-M180 HydrophobicContact CG-CE 3.46Å; M142-M180 VanDerWaalsContact CG-CE 3.46Å; M142-M180 HydrophobicContact SD-CE 4.32Å; M142-E245 HydrophobicContact CE-CG 4.48Å; M142-E245 WeakPolarHBondContact CE-O 3.36Å; M142-L246 HydrophobicContact CE-CD2 4.35Å; M142-L246 HydrophobicContact SD-CD2 3.9Å; M142-H249 HydrophobicContact CE-CB 4.43Å; M142-H249 WeakPolarHBondContact CE-ND1 3.38Å; M142-H249 PolarHBondContact O-CE1 3.06Å
143D90.1Very high91.7Very high136 Ų13644.3 Ų44.373%0.72725%0.251SS*.Hα-helixtrans-69.1-24.7178.5-71.4-20.8000113.5A139 L141A139-D143 PolarHBondContact O-N 3.38Å; L141-D143 VanDerWaalsContact C-N 3.32Å; L141-D143 PolarHBondContact O-N 3.34Å
144N88.4Confident91.9Very high71 Ų7142.9 Ų42.938%0.3825%0.245SC..Hα-helixtrans-108.8-12.3-172.8-70-68.6000114.2N140 L141 M142N140-N144 PolarHBondContact O-N 3.29Å; N140-N144 PolarHBondContact O-ND2 2.96Å; N140-N144 PolarHBondContact OD1-ND2 3.29Å; N140-N144 VanDerWaalsContact OD1-ND2 3.1Å; L141-N144 PolarHBondContact O-N 3.06Å; M142-N144 VanDerWaalsContact C-N 3.28Å; M142-N144 PolarHBondContact O-N 3.38Å
145M88.5Confident92.1Very high19 Ų1942.2 Ų42.29%0.09424%0.241CC..  trans-78.6132.4-179.668.7-162.5-6800111.3L141 M142 V147 F149 H249 F352L141-M145 WeakPolarHBondContact O-CB 3.41Å; L141-M145 PolarHBondContact O-N 3.36Å; M142-M145 HydrophobicContact CG-SD 4.46Å; M142-M145 HydrophobicContact SD-SD 3.66Å; M142-M145 VanDerWaalsContact SD-SD 3.66Å; M145-V147 WeakPolarHBondContact CE-O 3.24Å; M145-F149 HydrophobicContact CE-CB 4.45Å; M145-F149 HydrophobicContact CE-CD1 3.99Å; M145-F149 HydrophobicContact CE-CD2 3.66Å; M145-F149 HydrophobicContact CE-CE1 4.11Å; M145-F149 HydrophobicContact CE-CE2 3.79Å; M145-F149 HydrophobicContact CE-CG 3.77Å; M145-F149 HydrophobicContact CE-CZ 4.03Å; M145-F149 VanDerWaalsContact CE-N 3.34Å; M145-F149 HydrophobicContact SD-CD2 4.02Å; M145-F149 HydrophobicContact SD-CE2 3.82Å; M145-F149 HydrophobicContact SD-CZ 4.35Å; M145-H249 WeakPolarHBondContact CG-CE1 3.37Å; M145-H249 PolarHBondContact SD-CE1 3.28Å; M145-F352 HydrophobicContact CB-CE1 4.38Å; M145-F352 HydrophobicContact CE-CZ 4.49Å
146T84.7Confident92.5Very high142 Ų14241 Ų4187%0.87124%0.236SC*.SBendtrans-83.5-2217851.70000112.9
147V89Confident93Very high104 Ų10440.4 Ų40.463%0.6323%0.233SC*.SBendtrans-120.7123.9180-178.60000107.5M145M145-V147 WeakPolarHBondContact CE-O 3.24Å
148P93Very high93.3Very high63 Ų6339.5 Ų39.541%0.40923%0.229SC..PPolyproline II helixtrans-56157.1175-26.634.6000113.3T150 H249P148-T150 PolarHBondContact O-N 3.37Å; P148-H249 HydrophobicContact CB-CB 3.87Å; P148-H249 HydrophobicContact CG-CB 3.95Å
149F94.1Very high93.5Very high13 Ų1341 Ų416%0.05724%0.237CC..PPolyproline II helixtrans-60.9135.9168.2-74.5-65.5000110L141 M142 M145 Q153 L157 L246 M349 P350 F352L141-F149 HydrophobicContact CD2-CE2 4.33Å; L141-F149 HydrophobicContact CD2-CZ 3.66Å; L141-F149 HydrophobicContact CG-CZ 4.28Å; M142-F149 HydrophobicContact SD-CD2 3.84Å; M142-F149 HydrophobicContact SD-CE2 3.88Å; M145-F149 HydrophobicContact CE-CB 4.45Å; M145-F149 HydrophobicContact CE-CD1 3.99Å; M145-F149 HydrophobicContact CE-CD2 3.66Å; M145-F149 HydrophobicContact CE-CE1 4.11Å; M145-F149 HydrophobicContact CE-CE2 3.79Å; M145-F149 HydrophobicContact CE-CG 3.77Å; M145-F149 HydrophobicContact CE-CZ 4.03Å; M145-F149 VanDerWaalsContact CE-N 3.34Å; M145-F149 HydrophobicContact SD-CD2 4.02Å; M145-F149 HydrophobicContact SD-CE2 3.82Å; M145-F149 HydrophobicContact SD-CZ 4.35Å; F149-Q153 HydrophobicContact CB-CB 4.16Å; F149-Q153 HydrophobicContact CD1-CB 3.81Å; F149-Q153 HydrophobicContact CD1-CG 4.46Å; F149-Q153 HydrophobicContact CG-CB 4.37Å; F149-L157 HydrophobicContact CD1-CD1 4.44Å; F149-L157 HydrophobicContact CD2-CD1 4.09Å; F149-L157 HydrophobicContact CE1-CD1 4.28Å; F149-L157 HydrophobicContact CE2-CD1 3.91Å; F149-L157 HydrophobicContact CG-CD1 4.34Å; F149-L157 HydrophobicContact CZ-CD1 4Å; F149-L246 HydrophobicContact CD2-CD2 3.85Å; F149-L246 HydrophobicContact CE2-CD2 4.1Å; F149-M349 HydrophobicContact CD1-CE 4.18Å; F149-M349 HydrophobicContact CE1-CE 3.67Å; F149-M349 HydrophobicContact CZ-CE 4.36Å; F149-P350 HydrophobicContact CD1-CG 4.45Å; F149-P350 HydrophobicContact CE1-CG 4.02Å; F149-F352 HydrophobicContact CE1-CE2 4.18Å; F149-F352 HydrophobicContact CE1-CZ 4.06Å; F149-F352 HydrophobicContact CZ-CE2 4.28Å; F149-F352 HydrophobicContact CZ-CZ 4.26Å
150T95.3Very high93.8Very high73 Ų7340 Ų4045%0.44823%0.228SC..PPolyproline II helixtrans-65.7156.4168.163.50000109.9P148 S152 Q153 T154P148-T150 PolarHBondContact O-N 3.37Å; T150-S152 PolarHBondContact O-N 2.82Å; T150-S152 VanDerWaalsContact O-N 3.16Å; T150-Q153 WeakPolarHBondContact O-CB 3.37Å; T150-Q153 PolarHBondContact O-N 3.37Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.27Å; T150-Q153 PolarHBondContact OG1-N 3.44Å; T150-Q153 PolarHBondContact OG1-OE1 3.18Å; T150-Q153 VanDerWaalsContact OG1-OE1 3.07Å; T150-T154 PolarHBondContact O-N 2.71Å; T150-T154 PolarHBondContact O-OG1 3.12Å
151E96.3Very high94.3Very high53 Ų5338.3 Ų38.325%0.24822%0.219CC..Hα-helixtrans-56.9-34.8177.5-172.5-172.8149.200112.2Q153 T154 K155 L247 Y336 P341E151-Q153 PolarHBondContact O-N 3.32Å; E151-T154 PolarHBondContact O-N 3.12Å; E151-K155 HydrophobicContact CG-CD 4.49Å; E151-K155 WeakPolarHBondContact O-CB 3.25Å; E151-K155 WeakPolarHBondContact O-CG 3.42Å; E151-K155 PolarHBondContact O-N 3.26Å; E151-K155 WeakPolarHBondContact OE1-CE 3.28Å; E151-K155 IonicContact OE1-NZ 3.03Å; E151-K155 PolarHBondContact OE1-NZ 3.21Å; E151-L247 HydrophobicContact CG-CD2 4.47Å; E151-Y336 WeakPolarHBondContact CG-OH 3.38Å; E151-Y336 WeakPolarHBondContact OE1-CE2 3.37Å; E151-Y336 PolarHBondContact OE1-OH 3.12Å; E151-P341 HydrophobicContact CB-CG 3.72Å; E151-P341 HydrophobicContact CG-CG 3.88Å
152S97Very high94.7Very high27 Ų2738.4 Ų38.419%0.18922%0.219CC..Hα-helixtrans-59.6-43.9173.9-176.20000112.6T150 C156 Y342 P343 C344T150-S152 PolarHBondContact O-N 2.82Å; T150-S152 VanDerWaalsContact O-N 3.16Å; S152-C156 PolarHBondContact O-N 3.14Å; S152-C156 VanDerWaalsContact O-N 3.13Å; S152-Y342 WeakPolarHBondContact CA-O 3.36Å; S152-Y342 VanDerWaalsContact CB-O 3.27Å; S152-Y342 WeakPolarHBondContact CB-O 3.32Å; S152-Y342 PolarHBondContact OG-O 3.5Å; S152-P343 WeakPolarHBondContact O-CA 3.45Å; S152-C344 PolarHBondContact O-N 2.75Å; S152-C344 VanDerWaalsContact O-N 3.13Å; S152-C344 WeakPolarHBondContact OG-CB 3.45Å; S152-C344 PolarHBondContact OG-N 3.23Å
153Q96.5Very high95Very high34 Ų3441 Ų4116%0.15923%0.231CC..Hα-helixtrans-71-41.2176.7-69.6159.4-19.800111.2F149 T150 E151 K155 C156 L157 M349F149-Q153 HydrophobicContact CB-CB 4.16Å; F149-Q153 HydrophobicContact CD1-CB 3.81Å; F149-Q153 HydrophobicContact CD1-CG 4.46Å; F149-Q153 HydrophobicContact CG-CB 4.37Å; T150-Q153 WeakPolarHBondContact O-CB 3.37Å; T150-Q153 PolarHBondContact O-N 3.37Å; T150-Q153 WeakPolarHBondContact OG1-CG 3.27Å; T150-Q153 PolarHBondContact OG1-N 3.44Å; T150-Q153 PolarHBondContact OG1-OE1 3.18Å; T150-Q153 VanDerWaalsContact OG1-OE1 3.07Å; E151-Q153 PolarHBondContact O-N 3.32Å; Q153-K155 VanDerWaalsContact C-N 3.34Å; Q153-K155 PolarHBondContact O-N 3.08Å; Q153-C156 WeakPolarHBondContact O-CB 3.37Å; Q153-C156 PolarHBondContact O-N 2.91Å; Q153-C156 VanDerWaalsContact O-N 3.15Å; Q153-L157 WeakPolarHBondContact O-CG 3.29Å; Q153-L157 PolarHBondContact O-N 3.15Å; Q153-M349 HydrophobicContact CB-CE 4.23Å; Q153-M349 HydrophobicContact CB-SD 3.83Å; Q153-M349 HydrophobicContact CG-SD 3.84Å
154T96.9Very high95.4Very high0 Ų034.5 Ų34.50%020%0.196CC..Hα-helixtrans-61.5-41175.5-63.80000111.8T150 E151 L157 A158 L243 L246 L247T150-T154 PolarHBondContact O-N 2.71Å; T150-T154 PolarHBondContact O-OG1 3.12Å; E151-T154 PolarHBondContact O-N 3.12Å; T154-L157 PolarHBondContact O-N 3.49Å; T154-A158 VanDerWaalsContact O-CB 3.28Å; T154-A158 WeakPolarHBondContact O-CB 3.3Å; T154-A158 PolarHBondContact O-N 3.06Å; T154-L243 HydrophobicContact CG2-CD1 3.54Å; T154-L246 HydrophobicContact CG2-CB 3.62Å; T154-L246 HydrophobicContact CG2-CD1 4.29Å; T154-L247 HydrophobicContact CG2-CD2 3.76Å; T154-L247 HydrophobicContact CG2-CG 3.92Å
155K98Very high95.9Very high0 Ų031.1 Ų31.10%018%0.178CC..Hα-helixtrans-61.5-42.9172.7-77.9176.8-178.7177.70111.8E151 Q153 A158 L159 Y336 F337 E339 P341 P343E151-K155 HydrophobicContact CG-CD 4.49Å; E151-K155 WeakPolarHBondContact O-CB 3.25Å; E151-K155 WeakPolarHBondContact O-CG 3.42Å; E151-K155 PolarHBondContact O-N 3.26Å; E151-K155 WeakPolarHBondContact OE1-CE 3.28Å; E151-K155 IonicContact OE1-NZ 3.03Å; E151-K155 PolarHBondContact OE1-NZ 3.21Å; Q153-K155 VanDerWaalsContact C-N 3.34Å; Q153-K155 PolarHBondContact O-N 3.08Å; K155-A158 PolarHBondContact O-N 3.42Å; K155-L159 WeakPolarHBondContact O-CB 3.43Å; K155-L159 WeakPolarHBondContact O-CG 3.39Å; K155-L159 PolarHBondContact O-N 2.88Å; K155-Y336 HydrophobicContact CD-CE1 4.2Å; K155-Y336 WeakPolarHBondContact CE-O 3.45Å; K155-Y336 HydrophobicContact CG-CD1 4.29Å; K155-Y336 HydrophobicContact CG-CE1 3.62Å; K155-Y336 PolarHBondContact NZ-O 3.47Å; K155-F337 HydrophobicContact CB-CD1 4.14Å; K155-F337 HydrophobicContact CB-CE1 4.39Å; K155-F337 HydrophobicContact CG-CD1 4.09Å; K155-F337 HydrophobicContact CG-CE1 4.32Å; K155-E339 PolarHBondContact NZ-O 3.1Å; K155-E339 VanDerWaalsContact NZ-O 3.12Å; K155-P341 WeakPolarHBondContact CD-O 3.48Å; K155-P341 WeakPolarHBondContact CE-O 3.4Å; K155-P341 PolarHBondContact NZ-O 3.33Å; K155-P343 HydrophobicContact CB-CB 3.93Å
156C97.7Very high96.3Very high6 Ų635.1 Ų35.14%0.04120%0.195CC..Hα-helixtrans-58.9-50.1175.5178.50000111.6S152 Q153 A158 L159 Q160 P343 C344 M349S152-C156 PolarHBondContact O-N 3.14Å; S152-C156 VanDerWaalsContact O-N 3.13Å; Q153-C156 WeakPolarHBondContact O-CB 3.37Å; Q153-C156 PolarHBondContact O-N 2.91Å; Q153-C156 VanDerWaalsContact O-N 3.15Å; C156-A158 PolarHBondContact O-N 3.4Å; C156-L159 PolarHBondContact O-N 3.46Å; C156-Q160 WeakPolarHBondContact O-CG 3.18Å; C156-Q160 PolarHBondContact O-N 2.99Å; C156-Q160 VanDerWaalsContact O-N 3.15Å; C156-P343 HydrophobicContact CB-CB 4.48Å; C156-C344 WeakPolarHBondContact CB-O 3.48Å; C156-C344 PolarHBondContact SG-O 2.9Å; C156-C344 VanDerWaalsContact SG-O 3.39Å; C156-M349 HydrophobicContact CB-SD 4.32Å
157L97.8Very high97Very high0 Ų030.4 Ų30.40%016%0.163CC..Hα-helixtrans-60.8-44.8177.4-68.9172.9000111.9L138 F149 Q153 T154 L159 Q160 I161 L185 L191 L246 M349L138-L157 HydrophobicContact CD2-CD2 4.46Å; F149-L157 HydrophobicContact CD1-CD1 4.44Å; F149-L157 HydrophobicContact CD2-CD1 4.09Å; F149-L157 HydrophobicContact CE1-CD1 4.28Å; F149-L157 HydrophobicContact CE2-CD1 3.91Å; F149-L157 HydrophobicContact CG-CD1 4.34Å; F149-L157 HydrophobicContact CZ-CD1 4Å; Q153-L157 WeakPolarHBondContact O-CG 3.29Å; Q153-L157 PolarHBondContact O-N 3.15Å; T154-L157 PolarHBondContact O-N 3.49Å; L157-L159 PolarHBondContact O-N 2.83Å; L157-Q160 PolarHBondContact O-N 2.97Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.34Å; L157-I161 PolarHBondContact O-N 3.07Å; L157-L185 HydrophobicContact CD2-CD1 4.01Å; L157-L191 HydrophobicContact CB-CD1 4.45Å; L157-L191 HydrophobicContact CD2-CB 4.36Å; L157-L191 HydrophobicContact CD2-CD1 3.82Å; L157-L246 HydrophobicContact CB-CD1 4.1Å; L157-L246 HydrophobicContact CD1-CD1 4.15Å; L157-L246 HydrophobicContact CD1-CD2 4.02Å; L157-M349 HydrophobicContact CD1-CE 3.92Å; L157-M349 HydrophobicContact CD2-CE 3.75Å; L157-M349 HydrophobicContact CG-CE 3.72Å
158A98.2Very high97.4Very high6 Ų625.5 Ų25.55%0.0513%0.133CC..Hα-helixtrans-62.4-42.2179.600000112.5T154 K155 C156 I161 L162 L243 F337T154-A158 VanDerWaalsContact O-CB 3.28Å; T154-A158 WeakPolarHBondContact O-CB 3.3Å; T154-A158 PolarHBondContact O-N 3.06Å; K155-A158 PolarHBondContact O-N 3.42Å; C156-A158 PolarHBondContact O-N 3.4Å; A158-I161 PolarHBondContact O-N 3.48Å; A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 VanDerWaalsContact O-CG 3.24Å; A158-L162 WeakPolarHBondContact O-CG 3.18Å; A158-L162 PolarHBondContact O-N 3.27Å; A158-L243 HydrophobicContact CB-CD1 4.03Å; A158-F337 HydrophobicContact CB-CE1 3.98Å; A158-F337 HydrophobicContact CB-CZ 4.13Å
159L98.5Very high97.6Very high33 Ų3323.8 Ų23.817%0.17312%0.12CC..Hα-helixtrans-58.9-47.7174.4-76.6172.4000111.2K155 C156 L157 I161 L162 E163 L332 F337 P343K155-L159 WeakPolarHBondContact O-CB 3.43Å; K155-L159 WeakPolarHBondContact O-CG 3.39Å; K155-L159 PolarHBondContact O-N 2.88Å; C156-L159 PolarHBondContact O-N 3.46Å; L157-L159 PolarHBondContact O-N 2.83Å; L159-I161 VanDerWaalsContact C-N 3.35Å; L159-I161 PolarHBondContact O-N 2.95Å; L159-L162 PolarHBondContact O-N 3.14Å; L159-E163 WeakPolarHBondContact O-CB 3.4Å; L159-E163 WeakPolarHBondContact O-CG 3.32Å; L159-E163 PolarHBondContact O-N 3.37Å; L159-L332 HydrophobicContact CD2-CD2 3.71Å; L159-F337 HydrophobicContact CD1-CB 4.44Å; L159-F337 HydrophobicContact CD1-CD1 4.17Å; L159-F337 HydrophobicContact CD1-CG 4.42Å; L159-F337 HydrophobicContact CD2-CB 4.03Å; L159-F337 HydrophobicContact CD2-CD1 3.77Å; L159-F337 HydrophobicContact CD2-CD2 3.69Å; L159-F337 HydrophobicContact CD2-CE1 4.11Å; L159-F337 HydrophobicContact CD2-CE2 4.03Å; L159-F337 HydrophobicContact CD2-CG 3.55Å; L159-F337 HydrophobicContact CD2-CZ 4.23Å; L159-F337 HydrophobicContact CG-CD1 3.7Å; L159-F337 HydrophobicContact CG-CE1 3.96Å; L159-F337 HydrophobicContact CG-CG 4.01Å; L159-F337 HydrophobicContact CG-CZ 4.47Å; L159-P343 HydrophobicContact CD1-CB 3.73Å; L159-P343 HydrophobicContact CD1-CG 3.75Å
160Q98.5Very high97.6Very high3 Ų330.8 Ų30.81%0.01415%0.15CC..Hα-helixtrans-62.6-39179.4-70.1-170.772.800113N111 C156 L157 G164 G189 L191N111-Q160 WeakPolarHBondContact CB-O 3.24Å; N111-Q160 VanDerWaalsContact CG-O 3.32Å; N111-Q160 WeakPolarHBondContact ND2-CB 3.14Å; N111-Q160 PolarHBondContact ND2-OE1 3.01Å; N111-Q160 VanDerWaalsContact ND2-OE1 3.14Å; C156-Q160 WeakPolarHBondContact O-CG 3.18Å; C156-Q160 PolarHBondContact O-N 2.99Å; C156-Q160 VanDerWaalsContact O-N 3.15Å; L157-Q160 PolarHBondContact O-N 2.97Å; Q160-G164 PolarHBondContact O-N 3.41Å; Q160-G164 VanDerWaalsContact O-N 3.08Å; Q160-G189 PolarHBondContact NE2-O 3.25Å; Q160-L191 HydrophobicContact CB-CB 3.94Å; Q160-L191 HydrophobicContact CB-CD2 4.28Å
161I98.7Very high97.6Very high5 Ų531.3 Ų31.33%0.02615%0.147CC..Hα-helixtrans-62.3-49.5173.6-65.7161.4000110L157 A158 L159 E163 G164 L165 L178 L183 L191 A239 I242L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.34Å; L157-I161 PolarHBondContact O-N 3.07Å; A158-I161 PolarHBondContact O-N 3.48Å; L159-I161 VanDerWaalsContact C-N 3.35Å; L159-I161 PolarHBondContact O-N 2.95Å; I161-E163 PolarHBondContact O-N 2.9Å; I161-G164 PolarHBondContact O-N 2.81Å; I161-L165 HydrophobicContact CG2-CD1 4.16Å; I161-L165 HydrophobicContact CG2-CG 4.44Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.26Å; I161-L178 HydrophobicContact CG2-CD2 4.33Å; I161-L183 HydrophobicContact CD1-CD1 3.57Å; I161-L183 HydrophobicContact CG1-CD1 3.92Å; I161-L183 HydrophobicContact CG1-CD2 4.33Å; I161-L191 HydrophobicContact CB-CD2 4.5Å; I161-L191 HydrophobicContact CD1-CD1 4.03Å; I161-L191 HydrophobicContact CG1-CD1 3.66Å; I161-L191 HydrophobicContact CG1-CD2 3.62Å; I161-L191 HydrophobicContact CG1-CG 4.32Å; I161-A239 HydrophobicContact CG2-CB 4.13Å; I161-I242 HydrophobicContact CD1-CG2 3.77Å
162L98.8Very high97.4Very high4 Ų435.3 Ų35.32%0.02116%0.164CC..Hα-helixtrans-66.9-35.1-177.7-69.7171.1000112.5A158 L159 L165 K166 M317 C331 L332 F337A158-L162 WeakPolarHBondContact O-CB 3.43Å; A158-L162 VanDerWaalsContact O-CG 3.24Å; A158-L162 WeakPolarHBondContact O-CG 3.18Å; A158-L162 PolarHBondContact O-N 3.27Å; L159-L162 PolarHBondContact O-N 3.14Å; L162-L165 PolarHBondContact O-N 2.91Å; L162-K166 VanDerWaalsContact O-CB 3.26Å; L162-K166 WeakPolarHBondContact O-CB 3.47Å; L162-K166 PolarHBondContact O-N 3.43Å; L162-M317 HydrophobicContact CD2-CE 4.23Å; L162-C331 HydrophobicContact CD1-CB 3.71Å; L162-C331 HydrophobicContact CD2-CB 3.7Å; L162-C331 HydrophobicContact CG-CB 4.32Å; L162-L332 HydrophobicContact CB-CD1 4.41Å; L162-L332 HydrophobicContact CB-CD2 3.6Å; L162-L332 HydrophobicContact CB-CG 3.77Å; L162-L332 HydrophobicContact CD1-CD2 4.41Å; L162-F337 HydrophobicContact CD1-CE2 3.82Å; L162-F337 HydrophobicContact CD1-CZ 3.79Å
163E98.7Very high97.3Very high68 Ų6834 Ų3432%0.31816%0.155SC..Hα-helixtrans-62.3-46.2172-76.7179.1177.400111.2R110 N111 L159 I161 K166 F167 L332R110-E163 IonicContact NH1-OE2 2.71Å; N111-E163 PolarHBondContact OD1-OE2 3.29Å; L159-E163 WeakPolarHBondContact O-CB 3.4Å; L159-E163 WeakPolarHBondContact O-CG 3.32Å; L159-E163 PolarHBondContact O-N 3.37Å; I161-E163 PolarHBondContact O-N 2.9Å; E163-K166 PolarHBondContact O-N 3.4Å; E163-F167 PolarHBondContact O-N 3.15Å; E163-L332 HydrophobicContact CG-CD1 4.29Å; E163-L332 HydrophobicContact CG-CD2 3.93Å
164G98.6Very high97.1Very high0 Ų032.8 Ų32.80%015%0.15CC..Hα-helixtrans-58.2-48.9173.400000112.5Q160 I161 F167 L168Q160-G164 PolarHBondContact O-N 3.41Å; Q160-G164 VanDerWaalsContact O-N 3.08Å; I161-G164 PolarHBondContact O-N 2.81Å; G164-F167 PolarHBondContact O-N 3.47Å; G164-L168 WeakPolarHBondContact O-CG 3.48Å; G164-L168 PolarHBondContact O-N 3.02Å
165L98.6Very high97Very high0 Ų032.8 Ų32.80%015%0.15CC..Hα-helixtrans-64.5-42.4178.4-70-178.6000112.5I161 L162 F167 L168 H169 L178 I193 D235 I236 A239 A328I161-L165 HydrophobicContact CG2-CD1 4.16Å; I161-L165 HydrophobicContact CG2-CG 4.44Å; I161-L165 WeakPolarHBondContact O-CG 3.29Å; I161-L165 PolarHBondContact O-N 3.26Å; L162-L165 PolarHBondContact O-N 2.91Å; L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 2.81Å; L165-L168 HydrophobicContact CD2-CD1 4.41Å; L165-L168 PolarHBondContact O-N 2.89Å; L165-H169 VanDerWaalsContact O-CB 3.28Å; L165-H169 WeakPolarHBondContact O-CB 3.49Å; L165-H169 PolarHBondContact O-CD2 3.27Å; L165-H169 PolarHBondContact O-N 2.94Å; L165-L178 HydrophobicContact CD1-CD2 3.96Å; L165-L178 HydrophobicContact CD2-CD2 4.34Å; L165-I193 HydrophobicContact CD2-CD1 4.05Å; L165-I193 HydrophobicContact CG-CD1 4.16Å; L165-D235 HydrophobicContact CD1-CB 4.22Å; L165-D235 HydrophobicContact CD2-CB 3.87Å; L165-I236 HydrophobicContact CD1-CD1 4.29Å; L165-A239 HydrophobicContact CD1-CB 3.84Å; L165-A328 HydrophobicContact CB-CB 3.98Å
166K98.4Very high96.7Very high104 Ų10435 Ų3545%0.45216%0.158SC..Hα-helixtrans-56.4-44.1175.3173.1177.1171.2-179.70111L162 E163 K170 A328 A329 L332L162-K166 VanDerWaalsContact O-CB 3.26Å; L162-K166 WeakPolarHBondContact O-CB 3.47Å; L162-K166 PolarHBondContact O-N 3.43Å; E163-K166 PolarHBondContact O-N 3.4Å; K166-K170 WeakPolarHBondContact O-CB 3.24Å; K166-K170 PolarHBondContact O-N 2.9Å; K166-A328 HydrophobicContact CB-CB 3.88Å; K166-A329 HydrophobicContact CD-CB 4.22Å; K166-L332 HydrophobicContact CB-CD1 4.06Å; K166-L332 HydrophobicContact CD-CD1 3.5Å; K166-L332 VanDerWaalsContact CD-CD1 3.5Å; K166-L332 HydrophobicContact CG-CD1 4.42Å
167F98.4Very high96.4Very high43 Ų4335.2 Ų35.219%0.18916%0.159CC..Hα-helixtrans-63.3-49.8176.6170.2-93.3000111.7I107 H109 I112 E163 G164 L165 H169 K170 Q171I107-F167 HydrophobicContact CB-CE1 3.9Å; I107-F167 HydrophobicContact CB-CZ 4.18Å; I107-F167 HydrophobicContact CG2-CE1 4.23Å; I107-F167 HydrophobicContact CG2-CZ 4.48Å; H109-F167 HydrophobicContact CB-CD1 3.6Å; H109-F167 HydrophobicContact CB-CD2 4.18Å; H109-F167 HydrophobicContact CB-CE1 3.79Å; H109-F167 HydrophobicContact CB-CE2 4.33Å; H109-F167 HydrophobicContact CB-CG 3.82Å; H109-F167 HydrophobicContact CB-CZ 4.15Å; H109-F167 AromaticContact CD2-CD2 3.89Å; H109-F167 AromaticContact CD2-CG 3.77Å; H109-F167 AromaticContact CG-CD1 3.99Å; H109-F167 AromaticContact CG-CG 3.78Å; I112-F167 HydrophobicContact CG1-CD1 4.13Å; E163-F167 PolarHBondContact O-N 3.15Å; G164-F167 PolarHBondContact O-N 3.47Å; L165-F167 VanDerWaalsContact C-N 3.26Å; L165-F167 PolarHBondContact O-N 2.81Å; F167-H169 PolarHBondContact O-N 2.62Å; F167-K170 PolarHBondContact O-N 2.63Å; F167-Q171 HydrophobicContact CE1-CG 4.38Å; F167-Q171 HydrophobicContact CE2-CG 4.3Å; F167-Q171 HydrophobicContact CZ-CG 4.08Å; F167-Q171 PolarHBondContact O-N 2.89Å
168L97.4Very high96.2Very high0 Ų035.4 Ų35.40%016%0.16CC..Hα-helixtrans-58.9-47.9178.4-69.7177.4000112I107 I112 G164 L165 K170 Q171 F172 I173 F196I107-L168 HydrophobicContact CD1-CD2 3.85Å; I112-L168 HydrophobicContact CD1-CD1 3.75Å; I112-L168 HydrophobicContact CD1-CD2 3.94Å; I112-L168 HydrophobicContact CD1-CG 3.69Å; I112-L168 HydrophobicContact CG1-CD2 4.39Å; G164-L168 WeakPolarHBondContact O-CG 3.48Å; G164-L168 PolarHBondContact O-N 3.02Å; L165-L168 HydrophobicContact CD2-CD1 4.41Å; L165-L168 PolarHBondContact O-N 2.89Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.39Å; L168-Q171 CarbonylContact O-C 3.4Å; L168-Q171 WeakPolarHBondContact O-CA 3.45Å; L168-Q171 PolarHBondContact O-N 3.21Å; L168-F172 PolarHBondContact O-N 3.45Å; L168-I173 CarbonylContact C-O 3.49Å; L168-I173 HydrophobicContact CB-CB 4.31Å; L168-I173 HydrophobicContact CD2-CB 4.34Å; L168-I173 HydrophobicContact CD2-CD1 4.39Å; L168-I173 HydrophobicContact CD2-CG2 4.23Å; L168-I173 PolarHBondContact O-N 3.08Å; L168-F196 HydrophobicContact CD1-CE1 3.76Å; L168-F196 HydrophobicContact CD1-CZ 3.97Å; L168-F196 HydrophobicContact CD2-CE1 3.64Å; L168-F196 HydrophobicContact CD2-CZ 4.06Å; L168-F196 HydrophobicContact CG-CE1 4.36Å
169H96.3Very high96.1Very high28 Ų2836 Ų3613%0.1316%0.161CC..Hα-helixtrans-64.5-34.3-178.3-65177.1000111.6L165 F167 Q171 F172 I173 T232 D235L165-H169 VanDerWaalsContact O-CB 3.28Å; L165-H169 WeakPolarHBondContact O-CB 3.49Å; L165-H169 PolarHBondContact O-CD2 3.27Å; L165-H169 PolarHBondContact O-N 2.94Å; F167-H169 PolarHBondContact O-N 2.62Å; H169-Q171 VanDerWaalsContact C-N 3.29Å; H169-Q171 PolarHBondContact O-N 3.4Å; H169-F172 PolarHBondContact O-N 2.7Å; H169-I173 PolarHBondContact CD2-O 3.4Å; H169-T232 HydrophobicContact CB-CG2 3.85Å; H169-T232 PolarHBondContact CE1-O 3.46Å; H169-D235 IonicContact CD2-OD2 2.96Å; H169-D235 IonicContact CE1-OD2 2.79Å; H169-D235 IonicContact NE2-OD2 3.95Å; H169-D235 PolarHBondContact NE2-OD2 2.94Å
170K95.8Very high95.9Very high159 Ų15934.5 Ų34.569%0.69115%0.154SC*.Hα-helixtrans-65.9-30.6172.1-173.9177.9-179.8-177.60112.7K166 F167 L168 F172K166-K170 WeakPolarHBondContact O-CB 3.24Å; K166-K170 PolarHBondContact O-N 2.9Å; F167-K170 PolarHBondContact O-N 2.63Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.39Å; K170-F172 PolarHBondContact O-N 3.27Å
171Q94.4Very high95.6Very high84 Ų8437 Ų3739%0.39317%0.171SC..THydrogen-bonded Turntrans-85.512.1172.7-61-56.5-48.500112.7F167 L168 H169 I173F167-Q171 HydrophobicContact CE1-CG 4.38Å; F167-Q171 HydrophobicContact CE2-CG 4.3Å; F167-Q171 HydrophobicContact CZ-CG 4.08Å; F167-Q171 PolarHBondContact O-N 2.89Å; L168-Q171 CarbonylContact O-C 3.4Å; L168-Q171 WeakPolarHBondContact O-CA 3.45Å; L168-Q171 PolarHBondContact O-N 3.21Å; H169-Q171 VanDerWaalsContact C-N 3.29Å; H169-Q171 PolarHBondContact O-N 3.4Å; Q171-I173 HydrophobicContact CB-CD1 4.01Å; Q171-I173 HydrophobicContact CB-CG1 4.21Å; Q171-I173 PolarHBondContact O-N 3.08Å
172F93Very high95.4Very high137 Ų13737.3 Ų37.360%0.60117%0.173SC*.THydrogen-bonded Turntrans6025.7-175.8-52.6-85000113.6L168 H169 K170 Y201 F202L168-F172 PolarHBondContact O-N 3.45Å; H169-F172 PolarHBondContact O-N 2.7Å; K170-F172 PolarHBondContact O-N 3.27Å; F172-Y201 CarbonylContact O-C 3.53Å; F172-Y201 WeakPolarHBondContact O-CA 2.94Å; F172-F202 HydrophobicContact CB-CB 4.37Å; F172-F202 PolarHBondContact O-N 3.39Å
173I93.5Very high95.3Very high1 Ų137.1 Ų37.11%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-100.7127.4179.9-60169.2000109.2I103 I107 L168 H169 Q171 A199 Y201I103-I173 HydrophobicContact CG2-CD1 4.06Å; I103-I173 HydrophobicContact CG2-CG2 4.48Å; I107-I173 HydrophobicContact CG2-CD1 3.61Å; L168-I173 CarbonylContact C-O 3.49Å; L168-I173 HydrophobicContact CB-CB 4.31Å; L168-I173 HydrophobicContact CD2-CB 4.34Å; L168-I173 HydrophobicContact CD2-CD1 4.39Å; L168-I173 HydrophobicContact CD2-CG2 4.23Å; L168-I173 PolarHBondContact O-N 3.08Å; H169-I173 PolarHBondContact CD2-O 3.4Å; Q171-I173 HydrophobicContact CB-CD1 4.01Å; Q171-I173 HydrophobicContact CB-CG1 4.21Å; Q171-I173 PolarHBondContact O-N 3.08Å; I173-A199 HydrophobicContact CG2-CB 4.25Å; I173-Y201 HydrophobicContact CD1-CE1 4.16Å; I173-Y201 HydrophobicContact CG1-CD1 3.9Å; I173-Y201 HydrophobicContact CG1-CE1 3.7Å
174V93.3Very high95.1Very high8 Ų835.7 Ų35.75%0.04817%0.166CC..EExtended strand (participates in β ladder)trans-105.5128.4170.3-166.40000108.5R176 A199 R200 F202 T232 I234 D235V174-R176 HydrophobicContact CB-CG 4.13Å; V174-R176 HydrophobicContact CG1-CG 3.88Å; V174-A199 VanDerWaalsContact O-CA 3.24Å; V174-A199 WeakPolarHBondContact O-CA 3.39Å; V174-R200 PolarHBondContact N-O 3.08Å; V174-R200 PolarHBondContact O-N 3.03Å; V174-F202 HydrophobicContact CG2-CB 4.21Å; V174-F202 HydrophobicContact CG2-CD2 4.32Å; V174-T232 HydrophobicContact CG2-CG2 3.95Å; V174-I234 HydrophobicContact CG1-CD1 3.68Å; V174-I234 HydrophobicContact CG1-CG1 3.76Å; V174-D235 WeakPolarHBondContact CG1-OD2 3.29Å
175H93.6Very high94.9Very high0 Ų036.2 Ų36.20%017%0.169CC..  trans-73.1-47-175.2-171.5-89.9000112D177 L178 A194 D195 F196 D235H175-D177 PolarHBondContact CE1-O 3.31Å; H175-D177 VanDerWaalsContact CE1-O 3.28Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact ND1-O 2.9Å; H175-D177 PolarHBondContact O-N 2.88Å; H175-D177 VanDerWaalsContact O-N 3.07Å; H175-L178 PolarHBondContact ND1-N 2.72Å; H175-A194 PolarHBondContact CE1-O 3.22Å; H175-A194 PolarHBondContact NE2-O 3.02Å; H175-D195 PolarHBondContact CE1-O 2.96Å; H175-D195 PolarHBondContact NE2-O 2.89Å; H175-F196 AromaticContact CD2-CE1 3.79Å; H175-F196 AromaticContact CD2-CZ 3.93Å; H175-D235 PolarHBondContact N-OD1 3.06Å; H175-D235 PolarHBondContact N-OD2 3.32Å
176R92Very high94.5Very high47 Ų4736.9 Ų36.918%0.17717%0.173CC..SBendtrans66.1-7.9176.6-33-164.8-54.6152.914117.4V174 L198 I234 D235V174-R176 HydrophobicContact CB-CG 4.13Å; V174-R176 HydrophobicContact CG1-CG 3.88Å; R176-L198 VanDerWaalsContact CZ-O 3.23Å; R176-L198 PolarHBondContact NE-O 2.98Å; R176-L198 PolarHBondContact NH2-O 2.9Å; R176-L198 VanDerWaalsContact NH2-O 3.13Å; R176-I234 HydrophobicContact CB-CD1 4.01Å; R176-I234 HydrophobicContact CG-CD1 3.91Å; R176-D235 PolarHBondContact N-OD1 3.13Å
177D91.2Very high94Very high9 Ų935.6 Ų35.65%0.04817%0.171CC..  trans-132.741.7175.5-161.111.6000111.4Y64 H175 K179 N182 L198 V214Y64-D177 PolarHBondContact OH-OD2 3.25Å; H175-D177 PolarHBondContact CE1-O 3.31Å; H175-D177 VanDerWaalsContact CE1-O 3.28Å; H175-D177 PolarHBondContact ND1-N 3.33Å; H175-D177 PolarHBondContact ND1-O 2.9Å; H175-D177 PolarHBondContact O-N 2.88Å; H175-D177 VanDerWaalsContact O-N 3.07Å; D177-K179 PolarHBondContact O-N 3Å; D177-K179 IonicContact OD1-NZ 2.76Å; D177-K179 PolarHBondContact OD1-NZ 3.46Å; D177-K179 IonicContact OD2-NZ 3.47Å; D177-K179 PolarHBondContact OD2-NZ 3.41Å; D177-N182 PolarHBondContact O-ND2 3.37Å; D177-L198 HydrophobicContact CB-CB 4.29Å; D177-L198 HydrophobicContact CB-CD1 3.97Å; D177-L198 HydrophobicContact CB-CG 4.49Å; D177-V214 WeakPolarHBondContact OD1-CG1 3.48Å
178L95.2Very high93.6Very high5 Ų538.3 Ų38.33%0.02619%0.188CC..  trans-75.2122.4178.8-164.576.3000109.4I161 L165 H175 L183 I193 Y218 A238 A239 I242I161-L178 HydrophobicContact CG2-CD2 4.33Å; L165-L178 HydrophobicContact CD1-CD2 3.96Å; L165-L178 HydrophobicContact CD2-CD2 4.34Å; H175-L178 PolarHBondContact ND1-N 2.72Å; L178-L183 HydrophobicContact CD1-CD2 3.93Å; L178-I193 HydrophobicContact CD1-CD1 4.39Å; L178-I193 HydrophobicContact CD1-CG1 4.41Å; L178-I193 HydrophobicContact CD1-CG2 3.89Å; L178-Y218 WeakPolarHBondContact O-CB 3.43Å; L178-A238 HydrophobicContact CB-CB 3.82Å; L178-A238 HydrophobicContact CD2-CB 4.13Å; L178-A238 HydrophobicContact CG-CB 4.45Å; L178-A239 HydrophobicContact CD2-CB 3.99Å; L178-I242 HydrophobicContact CD2-CD1 4.04Å; L178-I242 HydrophobicContact CG-CD1 3.84Å
179K94.4Very high93.3Very high17 Ų1738.5 Ų38.57%0.07419%0.189CC..  trans-159.9164.6-178.759.6-173.7176.5-133.50110.1D177 S181 N182 L183 Y218D177-K179 PolarHBondContact O-N 3Å; D177-K179 IonicContact OD1-NZ 2.76Å; D177-K179 PolarHBondContact OD1-NZ 3.46Å; D177-K179 IonicContact OD2-NZ 3.47Å; D177-K179 PolarHBondContact OD2-NZ 3.41Å; K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 WeakPolarHBondContact CE-OG 3.34Å; K179-S181 PolarHBondContact O-N 3.29Å; K179-N182 VanDerWaalsContact CE-ND2 3.34Å; K179-N182 WeakPolarHBondContact CE-ND2 3.4Å; K179-N182 HydrophobicContact CG-CB 3.96Å; K179-N182 PolarHBondContact O-N 2.88Å; K179-L183 PolarHBondContact O-N 2.85Å; K179-Y218 HydrophobicContact CB-CD2 3.4Å; K179-Y218 HydrophobicContact CB-CE2 3.43Å; K179-Y218 VanDerWaalsContact CB-CE2 3.43Å; K179-Y218 HydrophobicContact CB-CG 4.1Å
180M94.2Very high93.2Very high3 Ų337.6 Ų37.62%0.01519%0.186CC..G310 helixtrans-54.7-39.4-176.9-68.5-62.9-83.400113.8L138 A139 M142 N182 L183 Y218 I242 E245 L246L138-M180 HydrophobicContact CB-CE 3.76Å; L138-M180 HydrophobicContact CB-SD 4.25Å; L138-M180 HydrophobicContact CD1-CE 4.31Å; L138-M180 HydrophobicContact CD1-SD 4.37Å; L138-M180 PolarHBondContact N-O 3.02Å; A139-M180 HydrophobicContact CB-CB 3.8Å; A139-M180 PolarHBondContact N-O 3.24Å; M142-M180 HydrophobicContact CE-CE 4.45Å; M142-M180 HydrophobicContact CG-CE 3.46Å; M142-M180 VanDerWaalsContact CG-CE 3.46Å; M142-M180 HydrophobicContact SD-CE 4.32Å; M180-N182 PolarHBondContact O-N 3.39Å; M180-L183 PolarHBondContact O-N 3.37Å; M180-Y218 HydrophobicContact CG-CE1 4.36Å; M180-Y218 VanDerWaalsContact CG-OH 3.29Å; M180-Y218 WeakPolarHBondContact CG-OH 3.39Å; M180-I242 HydrophobicContact CG-CG1 4.43Å; M180-I242 HydrophobicContact SD-CB 4.26Å; M180-I242 HydrophobicContact SD-CG1 4.09Å; M180-I242 HydrophobicContact SD-CG2 3.6Å; M180-I242 VanDerWaalsContact SD-CG2 3.6Å; M180-E245 HydrophobicContact CG-CG 4.49Å; M180-L246 HydrophobicContact CE-CD2 3.79Å; M180-L246 HydrophobicContact CE-CG 4.29Å
181S92.2Very high93.3Very high54 Ų5430 Ų3038%0.37815%0.153SC..G310 helixtrans-73.4-12.817956.60000114.5K179K179-S181 VanDerWaalsContact C-N 3.28Å; K179-S181 WeakPolarHBondContact CE-OG 3.34Å; K179-S181 PolarHBondContact O-N 3.29Å
182N94.8Very high93.5Very high12 Ų1226.9 Ų26.96%0.06414%0.138CC..G310 helixtrans-99.65.6175.5-74.5-0.1000112.2D177 K179 M180 A194 D195D177-N182 PolarHBondContact O-ND2 3.37Å; K179-N182 VanDerWaalsContact CE-ND2 3.34Å; K179-N182 WeakPolarHBondContact CE-ND2 3.4Å; K179-N182 HydrophobicContact CG-CB 3.96Å; K179-N182 PolarHBondContact O-N 2.88Å; M180-N182 PolarHBondContact O-N 3.39Å; N182-A194 PolarHBondContact O-N 3.46Å; N182-D195 HydrophobicContact CB-CB 4.43Å; N182-D195 PolarHBondContact OD1-OD2 2.86Å
183L96.5Very high93.7Very high0 Ų020.4 Ų20.40%011%0.11CC..EExtended strand (participates in β ladder)trans-107.1114.4171.8-62.7-177.6000108.6D137 L138 I161 L178 K179 M180 L191 I193 I242D137-L183 CarbonylContact C-O 3.49Å; D137-L183 WeakPolarHBondContact CA-O 3.46Å; L138-L183 HydrophobicContact CB-CB 4.24Å; L138-L183 HydrophobicContact CD1-CB 3.77Å; L138-L183 HydrophobicContact CD1-CD1 3.82Å; L138-L183 HydrophobicContact CD1-CG 4.48Å; L138-L183 HydrophobicContact CG-CB 3.93Å; L138-L183 PolarHBondContact N-O 3.3Å; I161-L183 HydrophobicContact CD1-CD1 3.57Å; I161-L183 HydrophobicContact CG1-CD1 3.92Å; I161-L183 HydrophobicContact CG1-CD2 4.33Å; L178-L183 HydrophobicContact CD1-CD2 3.93Å; K179-L183 PolarHBondContact O-N 2.85Å; M180-L183 PolarHBondContact O-N 3.37Å; L183-L191 HydrophobicContact CB-CD1 4.4Å; L183-L191 HydrophobicContact CD1-CD1 4.4Å; L183-L191 HydrophobicContact CD2-CD2 4.25Å; L183-I193 HydrophobicContact CD2-CB 4.43Å; L183-I193 HydrophobicContact CD2-CG1 3.85Å; L183-I242 HydrophobicContact CD1-CD1 3.82Å; L183-I242 HydrophobicContact CD1-CG2 3.87Å
184L95.4Very high93.7Very high39 Ų3920.8 Ų20.820%0.20411%0.114CC..EExtended strand (participates in β ladder)trans-99.5147.4-179.9-53.5-177000110I113 C134 Q136 D137 L191 K192 A194I113-L184 HydrophobicContact CD1-CD1 3.97Å; C134-L184 HydrophobicContact CB-CB 3.59Å; C134-L184 HydrophobicContact CB-CD1 4.11Å; C134-L184 HydrophobicContact CB-CG 4.42Å; Q136-L184 CarbonylContact O-C 3.6Å; Q136-L184 WeakPolarHBondContact O-CA 3.3Å; D137-L184 HydrophobicContact CB-CD2 3.73Å; L184-L191 CarbonylContact O-C 3.6Å; L184-L191 VanDerWaalsContact O-CA 3.28Å; L184-L191 WeakPolarHBondContact O-CA 3.17Å; L184-K192 HydrophobicContact CB-CB 4.49Å; L184-K192 PolarHBondContact N-O 3.16Å; L184-K192 PolarHBondContact O-N 3.46Å; L184-A194 HydrophobicContact CD1-CB 3.65Å; L184-A194 HydrophobicContact CG-CB 3.84Å
185L93.7Very high93.6Very high10 Ų1021.6 Ų21.65%0.05212%0.117CC..EExtended strand (participates in β ladder)trans-123.9129177.9-167.968.6000109.3E135 Q136 L138 L141 L157 L191E135-L185 PolarHBondContact N-O 2.98Å; Q136-L185 PolarHBondContact N-O 3.16Å; Q136-L185 PolarHBondContact O-N 3.36Å; L138-L185 HydrophobicContact CD2-CB 4.31Å; L138-L185 HydrophobicContact CD2-CD2 4.37Å; L141-L185 HydrophobicContact CD2-CD2 3.8Å; L157-L185 HydrophobicContact CD2-CD1 4.01Å; L185-L191 HydrophobicContact CD1-CB 4.21Å
186T91.7Very high93.4Very high15 Ų1521.6 Ų21.69%0.09212%0.118CC..  trans-83.9161.2172.960.70000111.2C134 E135 D188 G189 C190 K192C134-T186 HydrophobicContact CB-CG2 4.42Å; E135-T186 WeakPolarHBondContact OE2-CA 3.26Å; T186-D188 WeakPolarHBondContact CB-OD1 3.31Å; T186-D188 PolarHBondContact O-N 3.37Å; T186-D188 PolarHBondContact OG1-OD1 3.01Å; T186-G189 PolarHBondContact O-N 3.29Å; T186-C190 HydrophobicContact CG2-CB 4.48Å; T186-C190 PolarHBondContact N-O 3.23Å; T186-C190 WeakPolarHBondContact OG1-CA 3.37Å; T186-C190 VanDerWaalsContact OG1-CB 3.23Å; T186-C190 WeakPolarHBondContact OG1-CB 3.41Å; T186-C190 PolarHBondContact OG1-N 3.45Å; T186-C190 PolarHBondContact OG1-O 3.14Å; T186-K192 HydrophobicContact CG2-CD 4.03Å
187N87.3Confident93.1Very high76 Ų7619.5 Ų19.541%0.40611%0.111SC..THydrogen-bonded Turntrans-58.3-27.4177.9-86.7-24.2000114.5E135 G189E135-N187 HydrophobicContact CG-CB 4.45Å; E135-N187 VanDerWaalsContact CG-CG 3.42Å; E135-N187 WeakPolarHBondContact CG-ND2 3.15Å; E135-N187 VanDerWaalsContact CG-OD1 3.26Å; E135-N187 WeakPolarHBondContact CG-OD1 3.47Å; E135-N187 VanDerWaalsContact OE1-CG 3.24Å; E135-N187 PolarHBondContact OE1-ND2 2.83Å; E135-N187 PolarHBondContact OE2-N 2.85Å; N187-G189 VanDerWaalsContact C-N 3.3Å
188D88.8Confident92.8Very high101 Ų10120.7 Ų20.754%0.5412%0.117SC..THydrogen-bonded Turntrans-86.84.6176.762.7-36.3000113.4T186 E346T186-D188 WeakPolarHBondContact CB-OD1 3.31Å; T186-D188 PolarHBondContact O-N 3.37Å; T186-D188 PolarHBondContact OG1-OD1 3.01Å; D188-E346 CarbonylContact O-C 3.57Å
189G91.7Very high92.5Very high3 Ų320.4 Ų20.43%0.03112%0.115CC..SBendtrans86.510.2175.100000115Q160 T186 N187 L191Q160-G189 PolarHBondContact NE2-O 3.25Å; T186-G189 PolarHBondContact O-N 3.29Å; N187-G189 VanDerWaalsContact C-N 3.3Å; G189-L191 PolarHBondContact O-N 2.8Å
190C95.3Very high92.1Very high10 Ų1021.6 Ų21.67%0.06812%0.119CC..  trans-80.2118.6174.7-172.90000110.1T186T186-C190 HydrophobicContact CG2-CB 4.48Å; T186-C190 PolarHBondContact N-O 3.23Å; T186-C190 WeakPolarHBondContact OG1-CA 3.37Å; T186-C190 VanDerWaalsContact OG1-CB 3.23Å; T186-C190 WeakPolarHBondContact OG1-CB 3.41Å; T186-C190 PolarHBondContact OG1-N 3.45Å; T186-C190 PolarHBondContact OG1-O 3.14Å
191L97.2Very high91.6Very high0 Ų025.2 Ų25.20%013%0.133CC..EExtended strand (participates in β ladder)trans-83.4137.1173.8176.8149.7000110.4N111 L138 L157 Q160 I161 L183 L184 L185 G189 I193N111-L191 WeakPolarHBondContact CA-O 3.2Å; N111-L191 WeakPolarHBondContact CB-O 3.48Å; N111-L191 PolarHBondContact ND2-O 3.34Å; L138-L191 HydrophobicContact CD1-CD1 3.76Å; L157-L191 HydrophobicContact CB-CD1 4.45Å; L157-L191 HydrophobicContact CD2-CB 4.36Å; L157-L191 HydrophobicContact CD2-CD1 3.82Å; Q160-L191 HydrophobicContact CB-CB 3.94Å; Q160-L191 HydrophobicContact CB-CD2 4.28Å; I161-L191 HydrophobicContact CB-CD2 4.5Å; I161-L191 HydrophobicContact CD1-CD1 4.03Å; I161-L191 HydrophobicContact CG1-CD1 3.66Å; I161-L191 HydrophobicContact CG1-CD2 3.62Å; I161-L191 HydrophobicContact CG1-CG 4.32Å; L183-L191 HydrophobicContact CB-CD1 4.4Å; L183-L191 HydrophobicContact CD1-CD1 4.4Å; L183-L191 HydrophobicContact CD2-CD2 4.25Å; L184-L191 CarbonylContact O-C 3.6Å; L184-L191 VanDerWaalsContact O-CA 3.28Å; L184-L191 WeakPolarHBondContact O-CA 3.17Å; L185-L191 HydrophobicContact CD1-CB 4.21Å; G189-L191 PolarHBondContact O-N 2.8Å; L191-I193 HydrophobicContact CD2-CG1 4.47Å
192K97.7Very high90.7Very high18 Ų1827.6 Ų27.68%0.07814%0.137CC..EExtended strand (participates in β ladder)trans-129.8125.3179.3-72.3167.8179.1-69.10111.2R110 N111 I113 E132 C134 L184 T186R110-K192 WeakPolarHBondContact O-CG 3.41Å; R110-K192 PolarHBondContact O-NZ 3.25Å; N111-K192 WeakPolarHBondContact O-CA 3.42Å; I113-K192 HydrophobicContact CD1-CD 4.29Å; E132-K192 HydrophobicContact CG-CD 4.39Å; E132-K192 WeakPolarHBondContact OE1-CD 3.31Å; E132-K192 WeakPolarHBondContact OE1-CE 3.5Å; E132-K192 IonicContact OE1-NZ 2.82Å; E132-K192 PolarHBondContact OE1-NZ 3.27Å; E132-K192 WeakPolarHBondContact OE2-CE 3.43Å; E132-K192 IonicContact OE2-NZ 3.56Å; E132-K192 PolarHBondContact OE2-NZ 3.34Å; C134-K192 VanDerWaalsContact SG-CD 3.59Å; L184-K192 HydrophobicContact CB-CB 4.49Å; L184-K192 PolarHBondContact N-O 3.16Å; L184-K192 PolarHBondContact O-N 3.46Å; T186-K192 HydrophobicContact CG2-CD 4.03Å
193I98.1Very high89.2Confident0 Ų030.1 Ų30.10%017%0.166CC..EExtended strand (participates in β ladder)trans-73.8130.3170.8-56.3173.2000108.4N111 I112 I113 L165 L178 L183 L191 F196N111-I193 PolarHBondContact O-N 3.31Å; I112-I193 HydrophobicContact CD1-CB 3.98Å; I112-I193 HydrophobicContact CD1-CD1 4.01Å; I112-I193 HydrophobicContact CD1-CG1 4.34Å; I113-I193 PolarHBondContact N-O 3.15Å; L165-I193 HydrophobicContact CD2-CD1 4.05Å; L165-I193 HydrophobicContact CG-CD1 4.16Å; L178-I193 HydrophobicContact CD1-CD1 4.39Å; L178-I193 HydrophobicContact CD1-CG1 4.41Å; L178-I193 HydrophobicContact CD1-CG2 3.89Å; L183-I193 HydrophobicContact CD2-CB 4.43Å; L183-I193 HydrophobicContact CD2-CG1 3.85Å; L191-I193 HydrophobicContact CD2-CG1 4.47Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CZ 4.26Å
194A94.5Very high87.4Confident10 Ų1034.6 Ų34.68%0.08319%0.189CC..  trans-128.9171.8-178.600000112I113 H175 N182 L184I113-A194 HydrophobicContact CB-CB 4.1Å; I113-A194 HydrophobicContact CG2-CB 4Å; H175-A194 PolarHBondContact CE1-O 3.22Å; H175-A194 PolarHBondContact NE2-O 3.02Å; N182-A194 PolarHBondContact O-N 3.46Å; L184-A194 HydrophobicContact CD1-CB 3.65Å; L184-A194 HydrophobicContact CG-CB 3.84Å
195D89.8Confident85.5Confident24 Ų2438 Ų3813%0.12821%0.213CC..  trans68.374.2175.6-160.918.9000115.6Y64 K82 H175 N182 G197Y64-D195 VanDerWaalsContact CD2-OD1 3.28Å; Y64-D195 WeakPolarHBondContact CD2-OD1 3.42Å; Y64-D195 WeakPolarHBondContact CD2-OD2 3.33Å; Y64-D195 WeakPolarHBondContact CE2-OD2 3.24Å; K82-D195 IonicContact NZ-OD1 3.65Å; K82-D195 PolarHBondContact NZ-OD1 2.77Å; H175-D195 PolarHBondContact CE1-O 2.96Å; H175-D195 PolarHBondContact NE2-O 2.89Å; N182-D195 HydrophobicContact CB-CB 4.43Å; N182-D195 PolarHBondContact OD1-OD2 2.86Å; D195-G197 PolarHBondContact O-N 2.78Å
196F90.6Very high83.6Confident1 Ų139.3 Ų39.30%0.00422%0.221CC..G310 helixtrans-87.516.2-178.8-71.9-101.9000113E100 I103 L104 I107 I112 I113 L168 H175 I193 L198 A199E100-F196 HydrophobicContact CG-CB 4.1Å; I103-F196 HydrophobicContact CG2-CB 4.46Å; I103-F196 HydrophobicContact CG2-CD1 3.79Å; I103-F196 HydrophobicContact CG2-CE1 4.43Å; I103-F196 HydrophobicContact CG2-CG 4.32Å; L104-F196 HydrophobicContact CD2-CD2 3.69Å; L104-F196 HydrophobicContact CD2-CE2 4.03Å; L104-F196 HydrophobicContact CD2-CG 4.2Å; L104-F196 HydrophobicContact CG-CD2 4.39Å; I107-F196 HydrophobicContact CD1-CE1 4.11Å; I107-F196 HydrophobicContact CD1-CZ 4.29Å; I112-F196 HydrophobicContact CD1-CZ 4.23Å; I112-F196 HydrophobicContact CG2-CE2 3.89Å; I112-F196 HydrophobicContact CG2-CZ 3.65Å; I113-F196 HydrophobicContact CG2-CD2 4.45Å; I113-F196 HydrophobicContact CG2-CE2 4.21Å; L168-F196 HydrophobicContact CD1-CE1 3.76Å; L168-F196 HydrophobicContact CD1-CZ 3.97Å; L168-F196 HydrophobicContact CD2-CE1 3.64Å; L168-F196 HydrophobicContact CD2-CZ 4.06Å; L168-F196 HydrophobicContact CG-CE1 4.36Å; H175-F196 AromaticContact CD2-CE1 3.79Å; H175-F196 AromaticContact CD2-CZ 3.93Å; I193-F196 HydrophobicContact CG2-CE2 4.47Å; I193-F196 HydrophobicContact CG2-CZ 4.26Å; F196-L198 PolarHBondContact O-N 2.84Å; F196-L198 VanDerWaalsContact O-N 3.15Å; F196-A199 HydrophobicContact CB-CB 3.91Å; F196-A199 HydrophobicContact CD1-CB 3.67Å; F196-A199 HydrophobicContact CG-CB 4.25Å; F196-A199 WeakPolarHBondContact O-CB 3.31Å; F196-A199 PolarHBondContact O-N 3.38Å
197G85.1Confident81.5Confident3 Ų346 Ų463%0.03125%0.252CS..G310 helixtrans-60.3-26.7-17700000114D195D195-G197 PolarHBondContact O-N 2.78Å
198L85.4Confident79.5Confident33 Ų3350.2 Ų50.217%0.17327%0.269CS..G310 helixtrans-101.7-4.7173.2-66.1-175.6000113.9Y64 R176 D177 F196Y64-L198 HydrophobicContact CE1-CD2 4.37Å; Y64-L198 HydrophobicContact CE1-CG 4.33Å; Y64-L198 WeakPolarHBondContact OH-CD1 3.26Å; Y64-L198 WeakPolarHBondContact OH-CG 3.44Å; R176-L198 VanDerWaalsContact CZ-O 3.23Å; R176-L198 PolarHBondContact NE-O 2.98Å; R176-L198 PolarHBondContact NH2-O 2.9Å; R176-L198 VanDerWaalsContact NH2-O 3.13Å; D177-L198 HydrophobicContact CB-CB 4.29Å; D177-L198 HydrophobicContact CB-CD1 3.97Å; D177-L198 HydrophobicContact CB-CG 4.49Å; F196-L198 PolarHBondContact O-N 2.84Å; F196-L198 VanDerWaalsContact O-N 3.15Å
199A87.5Confident77.2Confident0 Ų049 Ų490%028%0.28CS..  trans-64.6148.6-175.200000112R99 I103 I173 V174 F196R99-A199 WeakPolarHBondContact CD-O 3.5Å; I103-A199 HydrophobicContact CD1-CB 3.74Å; I173-A199 HydrophobicContact CG2-CB 4.25Å; V174-A199 VanDerWaalsContact O-CA 3.24Å; V174-A199 WeakPolarHBondContact O-CA 3.39Å; F196-A199 HydrophobicContact CB-CB 3.91Å; F196-A199 HydrophobicContact CD1-CB 3.67Å; F196-A199 HydrophobicContact CG-CB 4.25Å; F196-A199 WeakPolarHBondContact O-CB 3.31Å; F196-A199 PolarHBondContact O-N 3.38Å
200R86.5Confident74.9Confident41 Ų4152.8 Ų52.816%0.15530%0.303CS..EExtended strand (participates in β ladder)trans-146152.7178.9-67.9-168.1177.8-153.9-1.1111.6V174V174-R200 PolarHBondContact N-O 3.08Å; V174-R200 PolarHBondContact O-N 3.03Å
201Y83.4Confident72.3Confident79 Ų7956.8 Ų56.831%0.3133%0.328SS..EExtended strand (participates in β ladder)trans-68.4136.9165.5-65.9-77.2000110.4I103 F172 I173I103-Y201 HydrophobicContact CG1-CE2 4.31Å; F172-Y201 CarbonylContact O-C 3.53Å; F172-Y201 WeakPolarHBondContact O-CA 2.94Å; I173-Y201 HydrophobicContact CD1-CE1 4.16Å; I173-Y201 HydrophobicContact CG1-CD1 3.9Å; I173-Y201 HydrophobicContact CG1-CE1 3.7Å
202F74.4Confident69.9Low105 Ų10562.3 Ų62.346%0.46136%0.358SS..THydrogen-bonded Turntrans-63.5146.5177.8-177.4-111.3000110.5F172 V174 L230 S231F172-F202 HydrophobicContact CB-CB 4.37Å; F172-F202 PolarHBondContact O-N 3.39Å; V174-F202 HydrophobicContact CG2-CB 4.21Å; V174-F202 HydrophobicContact CG2-CD2 4.32Å; F202-L230 WeakPolarHBondContact CE2-O 3.35Å; F202-S231 VanDerWaalsContact CE2-CA 3.49Å
203G63.6Low67.4Low64 Ų6467.1 Ų67.166%0.6639%0.388SS*.THydrogen-bonded Turntrans88.8-9.1-176.400000115.2P205G203-P205 WeakPolarHBondContact O-CD 3.05Å
204I58.8Low65.7Low95 Ų9568.6 Ų68.649%0.48740%0.398SS..SBendtrans-84.9117.3171.7-56.7174.9000108.5T206I204-T206 PolarHBondContact O-N 3.39Å
205P54.4Low64.7Low109 Ų10971.1 Ų71.171%0.70841%0.412SS*.PPolyproline II helixtrans-53.7131.4178.2-23.532.1000111.2G203 Q207G203-P205 WeakPolarHBondContact O-CD 3.05Å; P205-Q207 PolarHBondContact O-N 3.46Å
206T52.9Low64.7Low38 Ų3871.1 Ų71.123%0.23341%0.412CS..PPolyproline II helixtrans-68.7120.2171.6-6.50000108.5I204 Q208 L230I204-T206 PolarHBondContact O-N 3.39Å; T206-Q208 PolarHBondContact O-N 3.12Å; T206-L230 HydrophobicContact CG2-CD1 3.98Å
207Q49.6Very low64.9Low157 Ų15774.6 Ų74.673%0.73443%0.425SS*.PPolyproline II helixtrans-57.8129.3164.6-82.2-177.1-32.100107.9P205 G209P205-Q207 PolarHBondContact O-N 3.46Å; Q207-G209 PolarHBondContact O-N 2.93Å
208Q43.4Very low65.4Low164 Ų16475.4 Ų75.477%0.76643%0.427SS*.SBendtrans-60131.9175.1-66.2-179.6-4.700108.4T206T206-Q208 PolarHBondContact O-N 3.12Å
209G41.6Very low65.8Low74 Ų7475.7 Ų75.776%0.76343%0.426SS*.  trans104.436.6167.700000117.9Q207Q207-G209 PolarHBondContact O-N 2.93Å
210T42.4Very low66.2Low84 Ų8475.7 Ų75.752%0.51543%0.426SS..  trans-71.1134.7160.827.30000111
211P41.5Very low66.5Low93 Ų9373.9 Ų73.960%0.60442%0.42SS*.  trans-75151-157.2-1.418.2000112.1V213P211-V213 HydrophobicContact CB-CG2 4.3Å; P211-V213 PolarHBondContact O-N 2.9Å
212N46.5Very low67Low116 Ų11670.1 Ų70.162%0.6241%0.405SS*.SBendtrans-59.710.6-174.8-79.1-27.6000117.4V214 Q258N212-V214 PolarHBondContact O-N 3.39Å; N212-Q258 PolarHBondContact OD1-NE2 2.97Å
213V46Very low67.8Low119 Ų11967.6 Ų67.672%0.72140%0.396SS*.  trans-9726.3-167.2-151.50000113.4P211P211-V213 HydrophobicContact CB-CG2 4.3Å; P211-V213 PolarHBondContact O-N 2.9Å
214V62.1Low69.1Low32 Ų3264.7 Ų64.719%0.19437%0.365CS..SBendtrans-119.8141.5180-170.10000109.8D177 N212 L216 R219D177-V214 WeakPolarHBondContact OD1-CG1 3.48Å; N212-V214 PolarHBondContact O-N 3.39Å; V214-L216 PolarHBondContact O-N 3.28Å; V214-R219 PolarHBondContact O-NH2 3Å
215T73.2Confident70.6Confident63 Ų6360.4 Ų60.439%0.38734%0.343SS..  trans-42.5121.6177.9-48.30000111.9W217 Y218T215-W217 HydrophobicContact CG2-CB 4.16Å; T215-W217 HydrophobicContact CG2-CD2 4.08Å; T215-W217 HydrophobicContact CG2-CE3 4.48Å; T215-W217 HydrophobicContact CG2-CG 3.91Å; T215-Y218 HydrophobicContact CG2-CD2 4.18Å; T215-Y218 HydrophobicContact CG2-CE2 4.03Å
216L89.7Confident72.3Confident23 Ų2360.3 Ų60.312%0.1233%0.333CS..SBendtrans-78-22.9-174.9-64.5173.4000113V214 Y218 R219 S257 Q258 Q261V214-L216 PolarHBondContact O-N 3.28Å; L216-Y218 PolarHBondContact O-N 3.16Å; L216-Y218 VanDerWaalsContact O-N 3.09Å; L216-R219 VanDerWaalsContact CD2-CZ 3.48Å; L216-R219 WeakPolarHBondContact O-CB 3.49Å; L216-R219 PolarHBondContact O-N 2.86Å; L216-S257 VanDerWaalsContact CD1-C 3.45Å; L216-Q258 HydrophobicContact CD2-CG 4.12Å; L216-Q261 HydrophobicContact CB-CG 4.42Å
217W95.1Very high73.9Confident74 Ų7459.7 Ų59.728%0.2833%0.33SS..THydrogen-bonded Turntrans-63.1-26-161.2-55.7-7.8000114.5T215 P251 L253 P254 G255 Q261T215-W217 HydrophobicContact CG2-CB 4.16Å; T215-W217 HydrophobicContact CG2-CD2 4.08Å; T215-W217 HydrophobicContact CG2-CE3 4.48Å; T215-W217 HydrophobicContact CG2-CG 3.91Å; W217-P251 HydrophobicContact CE3-CB 3.85Å; W217-P251 HydrophobicContact CE3-CG 4.24Å; W217-P251 HydrophobicContact CH2-CB 4.19Å; W217-P251 HydrophobicContact CH2-CG 4Å; W217-P251 HydrophobicContact CZ3-CB 3.56Å; W217-P251 HydrophobicContact CZ3-CG 3.47Å; W217-P251 VanDerWaalsContact CZ3-CG 3.47Å; W217-L253 WeakPolarHBondContact CA-O 3.34Å; W217-L253 WeakPolarHBondContact CB-O 3.41Å; W217-P254 HydrophobicContact CD2-CB 4.14Å; W217-P254 HydrophobicContact CH2-CB 4.23Å; W217-P254 HydrophobicContact CZ2-CB 3.81Å; W217-G255 PolarHBondContact NE1-O 3.48Å; W217-G255 VanDerWaalsContact NE1-O 3.15Å; W217-Q261 PolarHBondContact O-NE2 2.92Å
218Y95.9Very high75.3Confident20 Ų2061.2 Ų61.28%0.07833%0.329CS..THydrogen-bonded Turntrans-106.40.1-177.8-48.9-81.8000112.8L178 K179 M180 T215 L216 C241 I242 E245L178-Y218 WeakPolarHBondContact O-CB 3.43Å; K179-Y218 HydrophobicContact CB-CD2 3.4Å; K179-Y218 HydrophobicContact CB-CE2 3.43Å; K179-Y218 VanDerWaalsContact CB-CE2 3.43Å; K179-Y218 HydrophobicContact CB-CG 4.1Å; M180-Y218 HydrophobicContact CG-CE1 4.36Å; M180-Y218 VanDerWaalsContact CG-OH 3.29Å; M180-Y218 WeakPolarHBondContact CG-OH 3.39Å; T215-Y218 HydrophobicContact CG2-CD2 4.18Å; T215-Y218 HydrophobicContact CG2-CE2 4.03Å; L216-Y218 PolarHBondContact O-N 3.16Å; L216-Y218 VanDerWaalsContact O-N 3.09Å; Y218-C241 HydrophobicContact CD1-CB 3.69Å; Y218-C241 HydrophobicContact CE1-CB 4.32Å; Y218-I242 HydrophobicContact CD1-CD1 4.48Å; Y218-I242 HydrophobicContact CD1-CG1 3.84Å; Y218-I242 HydrophobicContact CE1-CG1 3.7Å; Y218-E245 VanDerWaalsContact CE1-OE2 3.29Å; Y218-E245 WeakPolarHBondContact CE1-OE2 3.42Å; Y218-E245 VanDerWaalsContact CZ-OE2 3.32Å; Y218-E245 PolarHBondContact OH-OE2 3.09Å
219R94Very high77Confident39 Ų3960.4 Ų60.415%0.14733%0.329CS..  trans-69.8136.1-178.5-68.3-173.6-172.5-177.26.2110V214 L216 L224 W237 M265V214-R219 PolarHBondContact O-NH2 3Å; L216-R219 VanDerWaalsContact CD2-CZ 3.48Å; L216-R219 WeakPolarHBondContact O-CB 3.49Å; L216-R219 PolarHBondContact O-N 2.86Å; R219-L224 HydrophobicContact CB-CD2 4.06Å; R219-L224 HydrophobicContact CB-CG 4.16Å; R219-W237 PolarHBondContact O-NE1 2.86Å; R219-M265 WeakPolarHBondContact O-CE 3.19Å
220A94.7Very high79.1Confident0 Ų058.8 Ų58.80%030%0.303CS..  trans-73.6154.8175.400000111.8E222 I223 L224 I234 W237A220-E222 VanDerWaalsContact C-N 3.26Å; A220-E222 VanDerWaalsContact CB-CD 3.47Å; A220-E222 HydrophobicContact CB-CG 4.34Å; A220-E222 VanDerWaalsContact CB-OE2 3.29Å; A220-E222 WeakPolarHBondContact CB-OE2 3.37Å; A220-E222 PolarHBondContact O-N 2.47Å; A220-I223 HydrophobicContact CB-CD1 4.47Å; A220-I223 HydrophobicContact CB-CG1 4.48Å; A220-I223 WeakPolarHBondContact O-CB 3.38Å; A220-I223 PolarHBondContact O-N 2.92Å; A220-L224 PolarHBondContact O-N 3.19Å; A220-I234 HydrophobicContact CB-CB 4.09Å; A220-I234 HydrophobicContact CB-CG2 4.04Å; A220-W237 HydrophobicContact CB-CB 3.76Å; A220-W237 HydrophobicContact CB-CD2 4.32Å; A220-W237 HydrophobicContact CB-CG 3.76Å
221P94.3Very high81.4Confident4 Ų456 Ų563%0.02629%0.287CS..Hα-helixtrans-58.6-37-178.522.7-33.5000112.3I223 L224 L225 W237 M265 W277 Y320P221-I223 VanDerWaalsContact C-N 3.25Å; P221-I223 PolarHBondContact O-N 2.97Å; P221-L224 PolarHBondContact O-N 3.46Å; P221-L224 VanDerWaalsContact O-N 3.16Å; P221-L225 VanDerWaalsContact O-CB 3.31Å; P221-L225 WeakPolarHBondContact O-CB 3.44Å; P221-L225 VanDerWaalsContact O-CG 3.26Å; P221-L225 WeakPolarHBondContact O-CG 3.33Å; P221-L225 PolarHBondContact O-N 2.85Å; P221-W237 HydrophobicContact CG-CE3 4.15Å; P221-W237 HydrophobicContact CG-CH2 4.06Å; P221-W237 HydrophobicContact CG-CZ3 3.85Å; P221-M265 HydrophobicContact CB-SD 4.12Å; P221-W277 HydrophobicContact CB-CZ3 4.22Å; P221-Y320 HydrophobicContact CB-CD1 4Å; P221-Y320 HydrophobicContact CB-CE1 4.17Å; P221-Y320 HydrophobicContact CG-CD1 3.86Å; P221-Y320 HydrophobicContact CG-CE1 4.31Å
222E92.7Very high83.9Confident0 Ų053.2 Ų53.20%027%0.269CS..Hα-helixtrans-65.1-24.5176.665.5-89.8-149.900114.3A220 E226 S227 L230 I234 W277 P322 R325A220-E222 VanDerWaalsContact C-N 3.26Å; A220-E222 VanDerWaalsContact CB-CD 3.47Å; A220-E222 HydrophobicContact CB-CG 4.34Å; A220-E222 VanDerWaalsContact CB-OE2 3.29Å; A220-E222 WeakPolarHBondContact CB-OE2 3.37Å; A220-E222 PolarHBondContact O-N 2.47Å; E222-E226 PolarHBondContact O-N 3.47Å; E222-S227 WeakPolarHBondContact O-CB 3.23Å; E222-S227 PolarHBondContact O-N 3.35Å; E222-L230 HydrophobicContact CG-CD2 4.25Å; E222-I234 HydrophobicContact CG-CG2 3.94Å; E222-I234 VanDerWaalsContact OE1-CG2 3.3Å; E222-I234 WeakPolarHBondContact OE1-CG2 3.36Å; E222-W277 HydrophobicContact CB-CH2 3.81Å; E222-W277 HydrophobicContact CB-CZ2 4.01Å; E222-P322 HydrophobicContact CB-CG 3.87Å; E222-P322 VanDerWaalsContact CD-CG 3.49Å; E222-P322 HydrophobicContact CG-CG 3.82Å; E222-R325 IonicContact OE1-CZ 2.77Å; E222-R325 IonicContact OE1-NH1 3.27Å; E222-R325 PolarHBondContact OE1-NH1 3.02Å; E222-R325 IonicContact OE1-NH2 2.84Å; E222-R325 PolarHBondContact OE1-NH2 3.5Å; E222-R325 IonicContact OE2-CZ 3.12Å; E222-R325 IonicContact OE2-NH1 2.89Å; E222-R325 PolarHBondContact OE2-NH1 2.98Å; E222-R325 IonicContact OE2-NH2 2.63Å; E222-R325 PolarHBondContact OE2-NH2 2.62Å
223I91.3Very high86.2Confident51 Ų5148 Ų4826%0.26224%0.241SC..Hα-helixtrans-75.8-46.1171.9-62.3177.1000109.5A220 P221 L225 E226 L230 I234A220-I223 HydrophobicContact CB-CD1 4.47Å; A220-I223 HydrophobicContact CB-CG1 4.48Å; A220-I223 WeakPolarHBondContact O-CB 3.38Å; A220-I223 PolarHBondContact O-N 2.92Å; P221-I223 VanDerWaalsContact C-N 3.25Å; P221-I223 PolarHBondContact O-N 2.97Å; I223-L225 VanDerWaalsContact C-N 3.29Å; I223-L225 PolarHBondContact O-N 3.3Å; I223-E226 PolarHBondContact O-N 3.36Å; I223-L230 HydrophobicContact CG1-CD2 3.96Å; I223-I234 HydrophobicContact CD1-CB 3.96Å; I223-I234 HydrophobicContact CD1-CD1 4.1Å; I223-I234 HydrophobicContact CD1-CG2 3.91Å; I223-I234 HydrophobicContact CG1-CG2 3.96Å
224L91.4Very high88.5Confident3 Ų342.5 Ų42.52%0.01621%0.208CC..Hα-helixtrans-68.5-30-178.6-62.8175.7000112.6R219 A220 P221 E226 Q258 Q261 I262 M265R219-L224 HydrophobicContact CB-CD2 4.06Å; R219-L224 HydrophobicContact CB-CG 4.16Å; A220-L224 PolarHBondContact O-N 3.19Å; P221-L224 PolarHBondContact O-N 3.46Å; P221-L224 VanDerWaalsContact O-N 3.16Å; L224-E226 VanDerWaalsContact C-N 3.3Å; L224-Q258 HydrophobicContact CD2-CB 4.49Å; L224-Q258 HydrophobicContact CD2-CG 4.41Å; L224-Q261 HydrophobicContact CD1-CB 4.05Å; L224-Q261 HydrophobicContact CD1-CG 3.57Å; L224-I262 HydrophobicContact CB-CD1 4.07Å; L224-I262 HydrophobicContact CB-CG1 3.96Å; L224-I262 HydrophobicContact CD1-CG1 3.92Å; L224-M265 HydrophobicContact CD1-CE 3.41Å; L224-M265 VanDerWaalsContact CD1-CE 3.41Å; L224-M265 HydrophobicContact CD1-SD 3.95Å
225L91Very high90.2Very high5 Ų541 Ų413%0.02620%0.199CC..THydrogen-bonded Turntrans-90.89.1176.9-60.4179.8000113.3P221 I223 S227 I262 W277 L280 L283 P284 A285 L286 F289P221-L225 VanDerWaalsContact O-CB 3.31Å; P221-L225 WeakPolarHBondContact O-CB 3.44Å; P221-L225 VanDerWaalsContact O-CG 3.26Å; P221-L225 WeakPolarHBondContact O-CG 3.33Å; P221-L225 PolarHBondContact O-N 2.85Å; I223-L225 VanDerWaalsContact C-N 3.29Å; I223-L225 PolarHBondContact O-N 3.3Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.25Å; L225-I262 HydrophobicContact CD2-CD1 3.93Å; L225-W277 HydrophobicContact CD1-CH2 4.05Å; L225-W277 HydrophobicContact CD1-CZ3 3.67Å; L225-L280 HydrophobicContact CD1-CD1 3.94Å; L225-L283 HydrophobicContact CB-CB 4.23Å; L225-L283 HydrophobicContact CB-CD1 3.66Å; L225-L283 HydrophobicContact CB-CG 4.5Å; L225-L283 HydrophobicContact CD1-CD1 3.7Å; L225-L283 HydrophobicContact CG-CD1 4.34Å; L225-P284 WeakPolarHBondContact O-CD 3.44Å; L225-A285 HydrophobicContact CB-CB 4.46Å; L225-A285 HydrophobicContact CD2-CB 4.26Å; L225-L286 HydrophobicContact CD2-CD2 4.02Å; L225-L286 HydrophobicContact CD2-CG 4.1Å; L225-F289 HydrophobicContact CD2-CZ 3.85Å
226E88.2Confident91.4Very high107 Ų10738.1 Ų38.150%0.518%0.181SC..THydrogen-bonded Turntrans59.737.9174.5-55.8-177171.600114.3E222 I223 L224 R228 P284 A285E222-E226 PolarHBondContact O-N 3.47Å; I223-E226 PolarHBondContact O-N 3.36Å; L224-E226 VanDerWaalsContact C-N 3.3Å; E226-R228 PolarHBondContact O-N 3.28Å; E226-P284 HydrophobicContact CB-CB 4.07Å; E226-P284 HydrophobicContact CB-CG 4.1Å; E226-P284 VanDerWaalsContact O-CD 3.31Å; E226-P284 WeakPolarHBondContact O-CD 3.39Å; E226-P284 WeakPolarHBondContact O-CG 3.38Å; E226-A285 HydrophobicContact CG-CB 4.26Å
227S87Confident91.8Very high25 Ų2537 Ų3718%0.17518%0.175CC..  trans-58.7134.1170.5179.70000110.5E222 L225 L229E222-S227 WeakPolarHBondContact O-CB 3.23Å; E222-S227 PolarHBondContact O-N 3.35Å; L225-S227 VanDerWaalsContact C-N 3.34Å; L225-S227 PolarHBondContact O-N 3.25Å; S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact OG-N 3.28Å; S227-L229 PolarHBondContact OG-O 2.77Å; S227-L229 VanDerWaalsContact OG-O 3.08Å
228R79.7Confident91.9Very high189 Ų18933.7 Ų33.771%0.71316%0.163SC*.SBendtrans-72.5-27.1174.4-65.2-176.9-177.4170.1-0.9112.5E226E226-R228 PolarHBondContact O-N 3.28Å
229L79.8Confident92.1Very high147 Ų14733 Ų3377%0.7716%0.161SC*.  trans-99.9102.6-177.4-61.2174.6000108S227S227-L229 VanDerWaalsContact C-N 3.3Å; S227-L229 PolarHBondContact OG-N 3.28Å; S227-L229 PolarHBondContact OG-O 2.77Å; S227-L229 VanDerWaalsContact OG-O 3.08Å
230L85Confident92.3Very high41 Ų4131.1 Ų31.122%0.21515%0.154CC..  trans-101.4137.8171.8-58.7-176.9000109.2F202 T206 E222 I223 I234F202-L230 WeakPolarHBondContact CE2-O 3.35Å; T206-L230 HydrophobicContact CG2-CD1 3.98Å; E222-L230 HydrophobicContact CG-CD2 4.25Å; I223-L230 HydrophobicContact CG1-CD2 3.96Å; L230-I234 HydrophobicContact CD2-CG2 4.45Å
231S90.1Very high92.4Very high25 Ų2531.2 Ų31.218%0.17516%0.155CC..  trans-128.5-179.4179.873.20000112.1F202 A233 I234F202-S231 VanDerWaalsContact CE2-CA 3.49Å; S231-A233 PolarHBondContact O-N 2.88Å; S231-A233 VanDerWaalsContact O-N 3.12Å; S231-A233 VanDerWaalsContact OG-CB 3.24Å; S231-A233 WeakPolarHBondContact OG-CB 3.08Å; S231-A233 PolarHBondContact OG-N 3.12Å; S231-I234 WeakPolarHBondContact O-CG1 3.39Å; S231-I234 PolarHBondContact O-N 3.28Å
232T93.8Very high92.6Very high35 Ų3531 Ų3122%0.21515%0.154CC..THydrogen-bonded Turntrans-56.9-19.817250.70000113.1H169 V174 I234 D235H169-T232 HydrophobicContact CB-CG2 3.85Å; H169-T232 PolarHBondContact CE1-O 3.46Å; V174-T232 HydrophobicContact CG2-CG2 3.95Å; T232-I234 PolarHBondContact O-N 3.43Å; T232-D235 PolarHBondContact O-N 3.39Å; T232-D235 VanDerWaalsContact O-N 3.12Å
233A95.3Very high92.9Very high5 Ų531.3 Ų31.34%0.04116%0.156CC..Hα-helixtrans-58.7-26.9178.300000113.4S231 D235 I236 W237 P322 R325S231-A233 PolarHBondContact O-N 2.88Å; S231-A233 VanDerWaalsContact O-N 3.12Å; S231-A233 VanDerWaalsContact OG-CB 3.24Å; S231-A233 WeakPolarHBondContact OG-CB 3.08Å; S231-A233 PolarHBondContact OG-N 3.12Å; A233-D235 VanDerWaalsContact C-N 3.31Å; A233-D235 PolarHBondContact O-N 2.85Å; A233-I236 PolarHBondContact O-N 2.96Å; A233-W237 PolarHBondContact O-N 2.95Å; A233-P322 HydrophobicContact CB-CB 3.86Å; A233-P322 WeakPolarHBondContact CB-O 3.45Å; A233-R325 VanDerWaalsContact C-NH1 3.3Å; A233-R325 HydrophobicContact CB-CB 4.28Å; A233-R325 WeakPolarHBondContact O-CD 3.13Å; A233-R325 PolarHBondContact O-NH1 3.34Å
234I95.3Very high93.2Very high5 Ų528.9 Ų28.93%0.02614%0.143CC..Hα-helixtrans-65.8-35.8178.171-173.9000111.8V174 R176 A220 E222 I223 L230 S231 T232 I236 W237 A238V174-I234 HydrophobicContact CG1-CD1 3.68Å; V174-I234 HydrophobicContact CG1-CG1 3.76Å; R176-I234 HydrophobicContact CB-CD1 4.01Å; R176-I234 HydrophobicContact CG-CD1 3.91Å; A220-I234 HydrophobicContact CB-CB 4.09Å; A220-I234 HydrophobicContact CB-CG2 4.04Å; E222-I234 HydrophobicContact CG-CG2 3.94Å; E222-I234 VanDerWaalsContact OE1-CG2 3.3Å; E222-I234 WeakPolarHBondContact OE1-CG2 3.36Å; I223-I234 HydrophobicContact CD1-CB 3.96Å; I223-I234 HydrophobicContact CD1-CD1 4.1Å; I223-I234 HydrophobicContact CD1-CG2 3.91Å; I223-I234 HydrophobicContact CG1-CG2 3.96Å; L230-I234 HydrophobicContact CD2-CG2 4.45Å; S231-I234 WeakPolarHBondContact O-CG1 3.39Å; S231-I234 PolarHBondContact O-N 3.28Å; T232-I234 PolarHBondContact O-N 3.43Å; I234-I236 VanDerWaalsContact C-N 3.33Å; I234-W237 PolarHBondContact O-N 2.67Å; I234-A238 PolarHBondContact O-N 3.07Å; I234-A238 VanDerWaalsContact O-N 3.15Å
235D97Very high93.5Very high1 Ų129.6 Ų29.61%0.00515%0.146CC..Hα-helixtrans-72.1-32.8178.2-64.7-25.8000110.5L165 H169 V174 H175 R176 T232 A233 A238 A239L165-D235 HydrophobicContact CD1-CB 4.22Å; L165-D235 HydrophobicContact CD2-CB 3.87Å; H169-D235 IonicContact CD2-OD2 2.96Å; H169-D235 IonicContact CE1-OD2 2.79Å; H169-D235 IonicContact NE2-OD2 3.95Å; H169-D235 PolarHBondContact NE2-OD2 2.94Å; V174-D235 WeakPolarHBondContact CG1-OD2 3.29Å; H175-D235 PolarHBondContact N-OD1 3.06Å; H175-D235 PolarHBondContact N-OD2 3.32Å; R176-D235 PolarHBondContact N-OD1 3.13Å; T232-D235 PolarHBondContact O-N 3.39Å; T232-D235 VanDerWaalsContact O-N 3.12Å; A233-D235 VanDerWaalsContact C-N 3.31Å; A233-D235 PolarHBondContact O-N 2.85Å; D235-A238 PolarHBondContact O-N 3.05Å; D235-A239 WeakPolarHBondContact O-CB 3.28Å; D235-A239 PolarHBondContact O-N 3.45Å
236I98.5Very high93.8Very high1 Ų129.4 Ų29.41%0.00515%0.145CC..Hα-helixtrans-67.4-41.7176.2-54.5-58.4000110.9L165 A233 I234 A238 A239 G240 M317 R325 A326 A328L165-I236 HydrophobicContact CD1-CD1 4.29Å; A233-I236 PolarHBondContact O-N 2.96Å; I234-I236 VanDerWaalsContact C-N 3.33Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.02Å; I236-A239 PolarHBondContact O-N 2.89Å; I236-G240 PolarHBondContact O-N 3.45Å; I236-M317 HydrophobicContact CG2-CB 4.15Å; I236-M317 HydrophobicContact CG2-CE 4.16Å; I236-M317 HydrophobicContact CG2-CG 4.04Å; I236-M317 WeakPolarHBondContact O-CE 3.32Å; I236-R325 HydrophobicContact CG2-CG 4.46Å; I236-A326 WeakPolarHBondContact CG1-O 3.19Å; I236-A326 WeakPolarHBondContact CG2-O 3.4Å; I236-A328 HydrophobicContact CD1-CB 3.77Å
237W98.1Very high94.1Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-58.2-49.2173.4-178.9-79.5000111.1R219 A220 P221 A233 I234 A239 G240 C241 M265 F269 F318R219-W237 PolarHBondContact O-NE1 2.86Å; A220-W237 HydrophobicContact CB-CB 3.76Å; A220-W237 HydrophobicContact CB-CD2 4.32Å; A220-W237 HydrophobicContact CB-CG 3.76Å; P221-W237 HydrophobicContact CG-CE3 4.15Å; P221-W237 HydrophobicContact CG-CH2 4.06Å; P221-W237 HydrophobicContact CG-CZ3 3.85Å; A233-W237 PolarHBondContact O-N 2.95Å; I234-W237 PolarHBondContact O-N 2.67Å; W237-A239 VanDerWaalsContact C-N 3.32Å; W237-A239 PolarHBondContact O-N 3.25Å; W237-G240 WeakPolarHBondContact O-CA 3.4Å; W237-G240 PolarHBondContact O-N 3.21Å; W237-C241 PolarHBondContact O-N 3.43Å; W237-M265 HydrophobicContact CH2-SD 4.37Å; W237-M265 HydrophobicContact CZ2-CE 3.7Å; W237-M265 HydrophobicContact CZ2-CG 4Å; W237-M265 HydrophobicContact CZ2-SD 3.82Å; W237-F269 AromaticContact CH2-CD2 3.78Å; W237-F269 HydrophobicContact CH2-CD2 3.78Å; W237-F269 AromaticContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CZ 4.26Å; W237-F269 HydrophobicContact CZ2-CD2 4.26Å; W237-F269 AromaticContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CZ 4.31Å; W237-F318 AromaticContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CE1 4.36Å; W237-F318 AromaticContact CE2-CD1 3.98Å; W237-F318 HydrophobicContact CE3-CB 4.5Å; W237-F318 AromaticContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CH2-CB 4.43Å; W237-F318 AromaticContact CH2-CD1 4Å; W237-F318 HydrophobicContact CH2-CD1 4Å; W237-F318 HydrophobicContact CZ2-CD1 4.04Å; W237-F318 HydrophobicContact CZ3-CB 4.04Å; W237-F318 AromaticContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CG 4.47Å
238A97.7Very high94.5Very high4 Ų427.6 Ų27.63%0.03314%0.136CC..Hα-helixtrans-59.9-41.7177.800000112.2L178 I234 D235 I236 G240 C241 I242L178-A238 HydrophobicContact CB-CB 3.82Å; L178-A238 HydrophobicContact CD2-CB 4.13Å; L178-A238 HydrophobicContact CG-CB 4.45Å; I234-A238 PolarHBondContact O-N 3.07Å; I234-A238 VanDerWaalsContact O-N 3.15Å; D235-A238 PolarHBondContact O-N 3.05Å; I236-A238 VanDerWaalsContact C-N 3.34Å; I236-A238 PolarHBondContact O-N 3.02Å; A238-G240 VanDerWaalsContact C-N 3.29Å; A238-G240 PolarHBondContact O-N 3.28Å; A238-C241 WeakPolarHBondContact O-CB 3.14Å; A238-C241 PolarHBondContact O-N 3.34Å; A238-I242 WeakPolarHBondContact O-CG1 3.37Å; A238-I242 PolarHBondContact O-N 2.76Å
239A98.6Very high95.3Very high5 Ų521 Ų214%0.04111%0.114CC..Hα-helixtrans-62.8-35.9174.500000112.2I161 L165 L178 D235 I236 W237 I242 L243 M317I161-A239 HydrophobicContact CG2-CB 4.13Å; L165-A239 HydrophobicContact CD1-CB 3.84Å; L178-A239 HydrophobicContact CD2-CB 3.99Å; D235-A239 WeakPolarHBondContact O-CB 3.28Å; D235-A239 PolarHBondContact O-N 3.45Å; I236-A239 PolarHBondContact O-N 2.89Å; W237-A239 VanDerWaalsContact C-N 3.32Å; W237-A239 PolarHBondContact O-N 3.25Å; A239-I242 PolarHBondContact O-N 3.43Å; A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 PolarHBondContact O-N 3.01Å; A239-M317 HydrophobicContact CB-CE 3.77Å
240G98.4Very high96Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-63.6-46.3173.600000111.5I236 W237 A238 I242 L243 C244 M317 F318I236-G240 PolarHBondContact O-N 3.45Å; W237-G240 WeakPolarHBondContact O-CA 3.4Å; W237-G240 PolarHBondContact O-N 3.21Å; A238-G240 VanDerWaalsContact C-N 3.29Å; A238-G240 PolarHBondContact O-N 3.28Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 3.47Å; G240-L243 PolarHBondContact O-N 3.03Å; G240-C244 PolarHBondContact O-N 2.86Å; G240-C244 PolarHBondContact O-SG 2.8Å; G240-M317 VanDerWaalsContact N-CE 3.25Å; G240-F318 WeakPolarHBondContact O-CZ 3.43Å
241C98.3Very high96.4Very high2 Ų220.5 Ų20.51%0.01411%0.109CC..Hα-helixtrans-58-42.7174.5-71.30000111.9Y218 W237 A238 C244 E245Y218-C241 HydrophobicContact CD1-CB 3.69Å; Y218-C241 HydrophobicContact CE1-CB 4.32Å; W237-C241 PolarHBondContact O-N 3.43Å; A238-C241 WeakPolarHBondContact O-CB 3.14Å; A238-C241 PolarHBondContact O-N 3.34Å; C241-C244 WeakPolarHBondContact O-CB 3.48Å; C241-C244 PolarHBondContact O-N 3.22Å; C241-E245 WeakPolarHBondContact O-CB 3.49Å; C241-E245 PolarHBondContact O-N 2.84Å
242I98.2Very high96.7Very high0 Ų020.3 Ų20.30%011%0.105CC..Hα-helixtrans-64.4-44.9177.2-71.4165.2000111.3I161 L178 M180 L183 Y218 A238 A239 G240 C244 E245 L246I161-I242 HydrophobicContact CD1-CG2 3.77Å; L178-I242 HydrophobicContact CD2-CD1 4.04Å; L178-I242 HydrophobicContact CG-CD1 3.84Å; M180-I242 HydrophobicContact CG-CG1 4.43Å; M180-I242 HydrophobicContact SD-CB 4.26Å; M180-I242 HydrophobicContact SD-CG1 4.09Å; M180-I242 HydrophobicContact SD-CG2 3.6Å; M180-I242 VanDerWaalsContact SD-CG2 3.6Å; L183-I242 HydrophobicContact CD1-CD1 3.82Å; L183-I242 HydrophobicContact CD1-CG2 3.87Å; Y218-I242 HydrophobicContact CD1-CD1 4.48Å; Y218-I242 HydrophobicContact CD1-CG1 3.84Å; Y218-I242 HydrophobicContact CE1-CG1 3.7Å; A238-I242 WeakPolarHBondContact O-CG1 3.37Å; A238-I242 PolarHBondContact O-N 2.76Å; A239-I242 PolarHBondContact O-N 3.43Å; G240-I242 VanDerWaalsContact C-N 3.3Å; G240-I242 PolarHBondContact O-N 3.47Å; I242-C244 VanDerWaalsContact C-N 3.34Å; I242-C244 PolarHBondContact O-N 3.43Å; I242-E245 PolarHBondContact O-N 3.33Å; I242-L246 HydrophobicContact CG2-CD1 4.11Å; I242-L246 HydrophobicContact CG2-CG 4.47Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.32Å
243L98.2Very high96.8Very high7 Ų718.8 Ų18.84%0.03710%0.095CC..Hα-helixtrans-59.8-45.3175.517455.6000111.2T154 A158 A239 G240 E245 L246 L247 L313 L314 M317T154-L243 HydrophobicContact CG2-CD1 3.54Å; A158-L243 HydrophobicContact CB-CD1 4.03Å; A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 PolarHBondContact O-N 3.01Å; G240-L243 PolarHBondContact O-N 3.03Å; L243-E245 VanDerWaalsContact C-N 3.34Å; L243-E245 PolarHBondContact O-N 2.93Å; L243-L246 PolarHBondContact O-N 2.98Å; L243-L247 HydrophobicContact CD1-CD1 4.04Å; L243-L247 HydrophobicContact CD1-CG 4.14Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.31Å; L243-L247 PolarHBondContact O-N 3.36Å; L243-L313 HydrophobicContact CD2-CD2 3.95Å; L243-L314 HydrophobicContact CD2-CD2 3.73Å; L243-L314 HydrophobicContact CG-CD2 4.04Å; L243-M317 HydrophobicContact CD2-SD 4.36Å
244C98Very high96.8Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-58.8-44.2174.3-76.90000112.4G240 C241 I242 L247 L248 F252 F303 F318G240-C244 PolarHBondContact O-N 2.86Å; G240-C244 PolarHBondContact O-SG 2.8Å; C241-C244 WeakPolarHBondContact O-CB 3.48Å; C241-C244 PolarHBondContact O-N 3.22Å; I242-C244 VanDerWaalsContact C-N 3.34Å; I242-C244 PolarHBondContact O-N 3.43Å; C244-L247 PolarHBondContact O-N 2.86Å; C244-L248 WeakPolarHBondContact O-CB 3.14Å; C244-L248 VanDerWaalsContact O-CG 3.31Å; C244-L248 WeakPolarHBondContact O-CG 3.11Å; C244-L248 PolarHBondContact O-N 3.24Å; C244-F252 HydrophobicContact CB-CB 3.79Å; C244-F252 HydrophobicContact CB-CD1 3.43Å; C244-F252 VanDerWaalsContact CB-CD1 3.43Å; C244-F252 HydrophobicContact CB-CD2 3.91Å; C244-F252 HydrophobicContact CB-CE1 3.9Å; C244-F252 HydrophobicContact CB-CE2 4.34Å; C244-F252 HydrophobicContact CB-CG 3.43Å; C244-F252 VanDerWaalsContact CB-CG 3.43Å; C244-F252 HydrophobicContact CB-CZ 4.34Å; C244-F252 VanDerWaalsContact SG-CE1 3.6Å; C244-F303 HydrophobicContact CB-CE1 4.4Å; C244-F303 HydrophobicContact CB-CE2 4.33Å; C244-F303 HydrophobicContact CB-CZ 3.58Å; C244-F303 WeakPolarHBondContact SG-CZ 3.12Å; C244-F318 VanDerWaalsContact SG-CE2 3.59Å
245E97.1Very high96.8Very high17 Ų1720.7 Ų20.78%0.07911%0.108CC..Hα-helixtrans-66.2-38.3179.5176.8163.9-170.600112.4M142 M180 Y218 C241 I242 L243 H249 K250M142-E245 HydrophobicContact CE-CG 4.48Å; M142-E245 WeakPolarHBondContact CE-O 3.36Å; M180-E245 HydrophobicContact CG-CG 4.49Å; Y218-E245 VanDerWaalsContact CE1-OE2 3.29Å; Y218-E245 WeakPolarHBondContact CE1-OE2 3.42Å; Y218-E245 VanDerWaalsContact CZ-OE2 3.32Å; Y218-E245 PolarHBondContact OH-OE2 3.09Å; C241-E245 WeakPolarHBondContact O-CB 3.49Å; C241-E245 PolarHBondContact O-N 2.84Å; I242-E245 PolarHBondContact O-N 3.33Å; L243-E245 VanDerWaalsContact C-N 3.34Å; L243-E245 PolarHBondContact O-N 2.93Å; E245-H249 WeakPolarHBondContact O-CA 3.35Å; E245-H249 PolarHBondContact O-N 3.31Å; E245-K250 WeakPolarHBondContact CA-O 2.93Å; E245-K250 WeakPolarHBondContact CG-O 3.34Å; E245-K250 PolarHBondContact O-N 3.2Å
246L96.8Very high96.5Very high1 Ų127.9 Ų27.91%0.00514%0.141CC..Hα-helixtrans-63.9-41.9172.3-71.4171.3000112M142 F149 T154 L157 M180 I242 L243M142-L246 HydrophobicContact CE-CD2 4.35Å; M142-L246 HydrophobicContact SD-CD2 3.9Å; F149-L246 HydrophobicContact CD2-CD2 3.85Å; F149-L246 HydrophobicContact CE2-CD2 4.1Å; T154-L246 HydrophobicContact CG2-CB 3.62Å; T154-L246 HydrophobicContact CG2-CD1 4.29Å; L157-L246 HydrophobicContact CB-CD1 4.1Å; L157-L246 HydrophobicContact CD1-CD1 4.15Å; L157-L246 HydrophobicContact CD1-CD2 4.02Å; M180-L246 HydrophobicContact CE-CD2 3.79Å; M180-L246 HydrophobicContact CE-CG 4.29Å; I242-L246 HydrophobicContact CG2-CD1 4.11Å; I242-L246 HydrophobicContact CG2-CG 4.47Å; I242-L246 WeakPolarHBondContact O-CG 3.32Å; I242-L246 PolarHBondContact O-N 3.32Å; L243-L246 PolarHBondContact O-N 2.98Å
247L96.3Very high96.2Very high48 Ų4830.5 Ų30.525%0.25116%0.16SC..Hα-helixtrans-69.5-36.8178.4-71.5171.8000112.8E151 T154 L243 C244 F303 L306E151-L247 HydrophobicContact CG-CD2 4.47Å; T154-L247 HydrophobicContact CG2-CD2 3.76Å; T154-L247 HydrophobicContact CG2-CG 3.92Å; L243-L247 HydrophobicContact CD1-CD1 4.04Å; L243-L247 HydrophobicContact CD1-CG 4.14Å; L243-L247 HydrophobicContact CG-CD1 4.17Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.31Å; L243-L247 PolarHBondContact O-N 3.36Å; C244-L247 PolarHBondContact O-N 2.86Å; L247-F303 HydrophobicContact CB-CD1 4.33Å; L247-F303 HydrophobicContact CB-CE1 3.83Å; L247-F303 HydrophobicContact CD1-CD1 4.27Å; L247-F303 HydrophobicContact CD1-CE1 4.12Å; L247-L306 HydrophobicContact CD1-CD1 4.09Å; L247-L306 HydrophobicContact CD1-CD2 4.26Å
248L95.4Very high95.8Very high46 Ų4633.3 Ų33.324%0.24117%0.173CC..Hα-helixtrans-87.2-17.5-179-69172.6000113.6C244 K250 F252 I302 F303C244-L248 WeakPolarHBondContact O-CB 3.14Å; C244-L248 VanDerWaalsContact O-CG 3.31Å; C244-L248 WeakPolarHBondContact O-CG 3.11Å; C244-L248 PolarHBondContact O-N 3.24Å; L248-K250 HydrophobicContact CB-CG 3.91Å; L248-K250 PolarHBondContact O-N 3.4Å; L248-F252 HydrophobicContact CD1-CD2 3.7Å; L248-F252 HydrophobicContact CD1-CE2 4.44Å; L248-F252 HydrophobicContact CD1-CG 4.49Å; L248-I302 HydrophobicContact CD1-CG2 4.07Å; L248-I302 HydrophobicContact CD2-CG2 4.06Å; L248-F303 HydrophobicContact CD1-CE1 4.07Å; L248-F303 HydrophobicContact CD1-CZ 3.71Å; L248-F303 HydrophobicContact CD2-CD1 4.36Å; L248-F303 HydrophobicContact CD2-CE1 3.86Å; L248-F303 HydrophobicContact CD2-CZ 4.26Å; L248-F303 HydrophobicContact CG-CE1 3.6Å; L248-F303 HydrophobicContact CG-CZ 3.8Å
249H94.7Very high95.4Very high50 Ų5037.3 Ų37.323%0.23119%0.192CC..THydrogen-bonded Turntrans55.629.9-170.4-159.752000114.2M142 M145 P148 E245M142-H249 HydrophobicContact CE-CB 4.43Å; M142-H249 WeakPolarHBondContact CE-ND1 3.38Å; M142-H249 PolarHBondContact O-CE1 3.06Å; M145-H249 WeakPolarHBondContact CG-CE1 3.37Å; M145-H249 PolarHBondContact SD-CE1 3.28Å; P148-H249 HydrophobicContact CB-CB 3.87Å; P148-H249 HydrophobicContact CG-CB 3.95Å; E245-H249 WeakPolarHBondContact O-CA 3.35Å; E245-H249 PolarHBondContact O-N 3.31Å
250K94.4Very high95.2Very high130 Ų13040.3 Ų40.357%0.56521%0.205SC*.SBendtrans-157.7157.5175.964.6179.8-179.1-177.80109.9E245 L248 F252E245-K250 WeakPolarHBondContact CA-O 2.93Å; E245-K250 WeakPolarHBondContact CG-O 3.34Å; E245-K250 PolarHBondContact O-N 3.2Å; L248-K250 HydrophobicContact CB-CG 3.91Å; L248-K250 PolarHBondContact O-N 3.4Å; K250-F252 PolarHBondContact O-N 2.8Å
251P94.3Very high95Very high49 Ų4940.3 Ų40.332%0.31821%0.205SC..  trans-52.5129.2176.6-29.337.2000112.6W217 P254W217-P251 HydrophobicContact CE3-CB 3.85Å; W217-P251 HydrophobicContact CE3-CG 4.24Å; W217-P251 HydrophobicContact CH2-CB 4.19Å; W217-P251 HydrophobicContact CH2-CG 4Å; W217-P251 HydrophobicContact CZ3-CB 3.56Å; W217-P251 HydrophobicContact CZ3-CG 3.47Å; W217-P251 VanDerWaalsContact CZ3-CG 3.47Å; P251-P254 HydrophobicContact CB-CB 3.93Å; P251-P254 HydrophobicContact CB-CG 4.3Å
252F96.3Very high94.8Very high21 Ų2140.8 Ų40.89%0.09221%0.208CC..SBendtrans-78.2-49-174.7177.3-134.3000113.1C244 L248 K250 T268 F269 L299 I302 F303 F318C244-F252 HydrophobicContact CB-CB 3.79Å; C244-F252 HydrophobicContact CB-CD1 3.43Å; C244-F252 VanDerWaalsContact CB-CD1 3.43Å; C244-F252 HydrophobicContact CB-CD2 3.91Å; C244-F252 HydrophobicContact CB-CE1 3.9Å; C244-F252 HydrophobicContact CB-CE2 4.34Å; C244-F252 HydrophobicContact CB-CG 3.43Å; C244-F252 VanDerWaalsContact CB-CG 3.43Å; C244-F252 HydrophobicContact CB-CZ 4.34Å; C244-F252 VanDerWaalsContact SG-CE1 3.6Å; L248-F252 HydrophobicContact CD1-CD2 3.7Å; L248-F252 HydrophobicContact CD1-CE2 4.44Å; L248-F252 HydrophobicContact CD1-CG 4.49Å; K250-F252 PolarHBondContact O-N 2.8Å; F252-T268 HydrophobicContact CE2-CG2 4.22Å; F252-T268 HydrophobicContact CZ-CG2 3.73Å; F252-F269 HydrophobicContact CE1-CE1 4.35Å; F252-F269 AromaticContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CZ-CE1 4.27Å; F252-F269 HydrophobicContact CZ-CZ 4.1Å; F252-L299 HydrophobicContact CZ-CD2 3.99Å; F252-I302 HydrophobicContact CE2-CD1 4.12Å; F252-I302 HydrophobicContact CE2-CG2 4.34Å; F252-F303 HydrophobicContact CD2-CE2 4.46Å; F252-F303 HydrophobicContact CD2-CZ 4.33Å; F252-F303 AromaticContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CZ 4.14Å; F252-F303 HydrophobicContact CZ-CE2 4.17Å; F252-F318 HydrophobicContact CD1-CZ 4.24Å; F252-F318 HydrophobicContact CE1-CE1 4.37Å; F252-F318 HydrophobicContact CE1-CE2 4.03Å; F252-F318 AromaticContact CE1-CZ 3.69Å; F252-F318 HydrophobicContact CE1-CZ 3.69Å
253L96.4Very high94.6Very high3 Ų344.1 Ų44.12%0.01622%0.223CC..SBendtrans-127.571.4-179.8-60.6171.5000110.8W217 G255 Q261 L264 M265 F269W217-L253 WeakPolarHBondContact CA-O 3.34Å; W217-L253 WeakPolarHBondContact CB-O 3.41Å; L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 3.47Å; L253-Q261 VanDerWaalsContact CB-NE2 3.32Å; L253-Q261 PolarHBondContact O-NE2 3.33Å; L253-Q261 PolarHBondContact O-OE1 3.18Å; L253-L264 HydrophobicContact CD2-CB 4.03Å; L253-M265 HydrophobicContact CD1-CG 4.26Å; L253-F269 HydrophobicContact CD1-CE2 3.99Å; L253-F269 HydrophobicContact CD1-CZ 4.23Å
254P95.2Very high94.5Very high47 Ų4745.6 Ų45.631%0.30523%0.231SC..  trans-81.961.6-172.934.2-36.7000113.7W217 P251 Q256W217-P254 HydrophobicContact CD2-CB 4.14Å; W217-P254 HydrophobicContact CH2-CB 4.23Å; W217-P254 HydrophobicContact CZ2-CB 3.81Å; P251-P254 HydrophobicContact CB-CB 3.93Å; P251-P254 HydrophobicContact CB-CG 4.3Å; P254-Q256 PolarHBondContact O-NE2 2.83Å
255G94.1Very high94.4Very high3 Ų345.8 Ų45.83%0.03123%0.232CC..  trans-66.8141.8179.400000113.2W217 L253W217-G255 PolarHBondContact NE1-O 3.48Å; W217-G255 VanDerWaalsContact NE1-O 3.15Å; L253-G255 VanDerWaalsContact C-N 3.29Å; L253-G255 PolarHBondContact O-N 3.47Å
256Q91.3Very high94.3Very high151 Ų15145.1 Ų45.171%0.70623%0.229SC*.SBendtrans-96.3-17.9-177.9-59.8-60.3-3500113.1P254 H260P254-Q256 PolarHBondContact O-NE2 2.83Å; Q256-H260 PolarHBondContact N-ND1 2.8Å
257S91.5Very high94.2Very high56 Ų5648 Ų4839%0.39224%0.244SC..SBendtrans-144164.4175.570.80000108.5L216 M259 H260 Q261L216-S257 VanDerWaalsContact CD1-C 3.45Å; S257-M259 PolarHBondContact O-N 3.44Å; S257-H260 PolarHBondContact O-N 3.28Å; S257-H260 WeakPolarHBondContact OG-CB 3.35Å; S257-H260 PolarHBondContact OG-N 2.79Å; S257-Q261 WeakPolarHBondContact O-CB 3.37Å; S257-Q261 PolarHBondContact O-N 3Å
258Q89.9Confident94.1Very high60 Ų6046.3 Ų46.328%0.2824%0.236SC..Hα-helixtrans-57.1-41.8176.2-65.6-174.66.700111.2N212 L216 L224 Q261 I262N212-Q258 PolarHBondContact OD1-NE2 2.97Å; L216-Q258 HydrophobicContact CD2-CG 4.12Å; L224-Q258 HydrophobicContact CD2-CB 4.49Å; L224-Q258 HydrophobicContact CD2-CG 4.41Å; Q258-Q261 WeakPolarHBondContact O-CB 3.15Å; Q258-Q261 PolarHBondContact O-N 3.35Å; Q258-I262 WeakPolarHBondContact O-CG1 3.36Å; Q258-I262 PolarHBondContact O-N 3.15Å
259M90.8Very high94.1Very high88 Ų8844.8 Ų44.843%0.43323%0.228SC..Hα-helixtrans-62.8-47.9177.1-171.959.169.700111.8S257 Q261 I262 Q263 F289S257-M259 PolarHBondContact O-N 3.44Å; M259-Q261 VanDerWaalsContact C-N 3.28Å; M259-Q261 PolarHBondContact O-N 3.24Å; M259-I262 PolarHBondContact O-N 2.92Å; M259-I262 VanDerWaalsContact O-N 3.16Å; M259-Q263 PolarHBondContact O-N 3.29Å; M259-F289 HydrophobicContact CE-CB 3.55Å; M259-F289 HydrophobicContact CE-CD1 3.48Å; M259-F289 VanDerWaalsContact CE-CD1 3.48Å; M259-F289 HydrophobicContact CE-CD2 3.53Å; M259-F289 HydrophobicContact CE-CE1 4.01Å; M259-F289 HydrophobicContact CE-CE2 4.08Å; M259-F289 HydrophobicContact CE-CG 3.22Å; M259-F289 HydrophobicContact CE-CZ 4.31Å; M259-F289 HydrophobicContact SD-CD2 3.75Å; M259-F289 HydrophobicContact SD-CE2 4.05Å; M259-F289 HydrophobicContact SD-CG 4.1Å
260H93.3Very high94.1Very high67 Ų6742.8 Ų42.831%0.3122%0.22SC..Hα-helixtrans-62.6-37.6178-177.4-161.3000111.2Q256 S257 I262 Q263 L264Q256-H260 PolarHBondContact N-ND1 2.8Å; S257-H260 PolarHBondContact O-N 3.28Å; S257-H260 WeakPolarHBondContact OG-CB 3.35Å; S257-H260 PolarHBondContact OG-N 2.79Å; H260-I262 PolarHBondContact O-N 3.03Å; H260-Q263 PolarHBondContact O-N 3.04Å; H260-L264 WeakPolarHBondContact O-CG 3.38Å; H260-L264 PolarHBondContact O-N 3.39Å
261Q94.9Very high94Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-61-44.6174.8-170.768.430.900111.7L216 W217 L224 L253 S257 Q258 M259 Q263 L264 M265L216-Q261 HydrophobicContact CB-CG 4.42Å; W217-Q261 PolarHBondContact O-NE2 2.92Å; L224-Q261 HydrophobicContact CD1-CB 4.05Å; L224-Q261 HydrophobicContact CD1-CG 3.57Å; L253-Q261 VanDerWaalsContact CB-NE2 3.32Å; L253-Q261 PolarHBondContact O-NE2 3.33Å; L253-Q261 PolarHBondContact O-OE1 3.18Å; S257-Q261 WeakPolarHBondContact O-CB 3.37Å; S257-Q261 PolarHBondContact O-N 3Å; Q258-Q261 WeakPolarHBondContact O-CB 3.15Å; Q258-Q261 PolarHBondContact O-N 3.35Å; M259-Q261 VanDerWaalsContact C-N 3.28Å; M259-Q261 PolarHBondContact O-N 3.24Å; Q261-Q263 VanDerWaalsContact C-N 3.34Å; Q261-L264 PolarHBondContact O-N 3.38Å; Q261-M265 HydrophobicContact CG-CE 4.11Å; Q261-M265 WeakPolarHBondContact O-CG 3.37Å; Q261-M265 PolarHBondContact O-N 3.42Å; Q261-M265 VanDerWaalsContact O-N 3.08Å
262I93.8Very high94Very high13 Ų1335.3 Ų35.37%0.06719%0.185CC..Hα-helixtrans-63.2-42.9176.4-67.2170.7000110.6L224 L225 Q258 M259 H260 L264 M265 V266 F289 L291L224-I262 HydrophobicContact CB-CD1 4.07Å; L224-I262 HydrophobicContact CB-CG1 3.96Å; L224-I262 HydrophobicContact CD1-CG1 3.92Å; L225-I262 HydrophobicContact CD2-CD1 3.93Å; Q258-I262 WeakPolarHBondContact O-CG1 3.36Å; Q258-I262 PolarHBondContact O-N 3.15Å; M259-I262 PolarHBondContact O-N 2.92Å; M259-I262 VanDerWaalsContact O-N 3.16Å; H260-I262 PolarHBondContact O-N 3.03Å; I262-L264 PolarHBondContact O-N 3.44Å; I262-M265 WeakPolarHBondContact O-CB 3.17Å; I262-M265 PolarHBondContact O-N 2.77Å; I262-M265 VanDerWaalsContact O-N 3.12Å; I262-V266 HydrophobicContact CG2-CG2 4.38Å; I262-V266 WeakPolarHBondContact O-CG2 3.34Å; I262-V266 PolarHBondContact O-N 3.34Å; I262-F289 HydrophobicContact CD1-CE1 4.39Å; I262-F289 HydrophobicContact CD1-CE2 4.05Å; I262-F289 HydrophobicContact CD1-CZ 3.51Å; I262-F289 HydrophobicContact CG2-CE2 4.33Å; I262-L291 HydrophobicContact CG2-CD2 3.43Å; I262-L291 VanDerWaalsContact CG2-CD2 3.43Å
263Q93.8Very high93.8Very high69 Ų6937.4 Ų37.432%0.32220%0.199SC..Hα-helixtrans-61.1-43.4177.9-168.417410.300111.8M259 H260 Q261 M265 V266 N267 E292M259-Q263 PolarHBondContact O-N 3.29Å; H260-Q263 PolarHBondContact O-N 3.04Å; Q261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-M265 VanDerWaalsContact C-N 3.3Å; Q263-M265 PolarHBondContact O-N 3.36Å; Q263-V266 PolarHBondContact O-N 3.49Å; Q263-N267 WeakPolarHBondContact O-CB 3.16Å; Q263-N267 PolarHBondContact O-N 3.39Å; Q263-N267 PolarHBondContact O-ND2 3.25Å; Q263-E292 WeakPolarHBondContact CG-OE2 3.29Å; Q263-E292 PolarHBondContact NE2-OE1 2.88Å; Q263-E292 PolarHBondContact NE2-OE2 3.34Å
264L95.5Very high93.6Very high38 Ų3841.1 Ų41.120%0.19922%0.216CC..Hα-helixtrans-59.4-41173.3-70.5172.1000111.9L253 H260 Q261 I262 T268L253-L264 HydrophobicContact CD2-CB 4.03Å; H260-L264 WeakPolarHBondContact O-CG 3.38Å; H260-L264 PolarHBondContact O-N 3.39Å; Q261-L264 PolarHBondContact O-N 3.38Å; I262-L264 PolarHBondContact O-N 3.44Å; L264-T268 VanDerWaalsContact O-CB 3.3Å; L264-T268 WeakPolarHBondContact O-CB 3.43Å; L264-T268 PolarHBondContact O-N 3.32Å; L264-T268 VanDerWaalsContact O-N 3.08Å; L264-T268 PolarHBondContact O-OG1 3.42Å
265M95.8Very high93.5Very high4 Ų443 Ų432%0.0224%0.237CC..Hα-helixtrans-63-48.6175.5-67.6177.4179.400111.7R219 P221 L224 W237 L253 Q261 I262 Q263 N267 T268 F269 Y320R219-M265 WeakPolarHBondContact O-CE 3.19Å; P221-M265 HydrophobicContact CB-SD 4.12Å; L224-M265 HydrophobicContact CD1-CE 3.41Å; L224-M265 VanDerWaalsContact CD1-CE 3.41Å; L224-M265 HydrophobicContact CD1-SD 3.95Å; W237-M265 HydrophobicContact CH2-SD 4.37Å; W237-M265 HydrophobicContact CZ2-CE 3.7Å; W237-M265 HydrophobicContact CZ2-CG 4Å; W237-M265 HydrophobicContact CZ2-SD 3.82Å; L253-M265 HydrophobicContact CD1-CG 4.26Å; Q261-M265 HydrophobicContact CG-CE 4.11Å; Q261-M265 WeakPolarHBondContact O-CG 3.37Å; Q261-M265 PolarHBondContact O-N 3.42Å; Q261-M265 VanDerWaalsContact O-N 3.08Å; I262-M265 WeakPolarHBondContact O-CB 3.17Å; I262-M265 PolarHBondContact O-N 2.77Å; I262-M265 VanDerWaalsContact O-N 3.12Å; Q263-M265 VanDerWaalsContact C-N 3.3Å; Q263-M265 PolarHBondContact O-N 3.36Å; M265-N267 VanDerWaalsContact C-N 3.35Å; M265-N267 PolarHBondContact O-N 3.25Å; M265-T268 PolarHBondContact O-N 2.88Å; M265-T268 VanDerWaalsContact O-N 3.15Å; M265-F269 HydrophobicContact CB-CD2 4.13Å; M265-F269 HydrophobicContact CB-CE2 4.38Å; M265-F269 HydrophobicContact CG-CE2 4.39Å; M265-F269 VanDerWaalsContact O-CD2 3.24Å; M265-F269 WeakPolarHBondContact O-CD2 3.46Å; M265-F269 PolarHBondContact O-N 2.92Å; M265-Y320 PolarHBondContact O-OH 2.84Å
266V95.1Very high93.4Very high4 Ų446.6 Ų46.62%0.02425%0.254CS..Hα-helixtrans-60.7-45.3179.8169.10000110.7I262 Q263 T268 G270 T271 L291 E292 Q294I262-V266 HydrophobicContact CG2-CG2 4.38Å; I262-V266 WeakPolarHBondContact O-CG2 3.34Å; I262-V266 PolarHBondContact O-N 3.34Å; Q263-V266 PolarHBondContact O-N 3.49Å; V266-T268 PolarHBondContact O-N 3Å; V266-G270 CarbonylContact O-C 3.44Å; V266-G270 WeakPolarHBondContact O-CA 3.34Å; V266-G270 PolarHBondContact O-N 3.33Å; V266-T271 WeakPolarHBondContact CG1-OG1 3.35Å; V266-L291 HydrophobicContact CG2-CD2 4.1Å; V266-E292 HydrophobicContact CG1-CB 4.46Å; V266-E292 WeakPolarHBondContact CG1-O 3.31Å; V266-Q294 HydrophobicContact CG1-CB 3.81Å; V266-Q294 WeakPolarHBondContact O-CG 3.25Å
267N94.3Very high93.6Very high61 Ų6140.1 Ų40.133%0.32622%0.223SC..Hα-helixtrans-62.2-30.8177.6-70.7-15.8000112.9Q263 M265 T298Q263-N267 WeakPolarHBondContact O-CB 3.16Å; Q263-N267 PolarHBondContact O-N 3.39Å; Q263-N267 PolarHBondContact O-ND2 3.25Å; M265-N267 VanDerWaalsContact C-N 3.35Å; M265-N267 PolarHBondContact O-N 3.25Å; N267-T298 PolarHBondContact O-OG1 3.49Å; N267-T298 VanDerWaalsContact O-OG1 3.04Å
268T95.3Very high93.7Very high13 Ų1341.2 Ų41.28%0.0823%0.229CC..Hα-helixtrans-86.5-46.6-177-56.30000112.6F252 L264 M265 V266 T298 I302F252-T268 HydrophobicContact CE2-CG2 4.22Å; F252-T268 HydrophobicContact CZ-CG2 3.73Å; L264-T268 VanDerWaalsContact O-CB 3.3Å; L264-T268 WeakPolarHBondContact O-CB 3.43Å; L264-T268 PolarHBondContact O-N 3.32Å; L264-T268 VanDerWaalsContact O-N 3.08Å; L264-T268 PolarHBondContact O-OG1 3.42Å; M265-T268 PolarHBondContact O-N 2.88Å; M265-T268 VanDerWaalsContact O-N 3.15Å; V266-T268 PolarHBondContact O-N 3Å; T268-T298 VanDerWaalsContact CA-OG1 3.28Å; T268-T298 WeakPolarHBondContact CA-OG1 3.34Å; T268-T298 PolarHBondContact O-N 3.47Å; T268-T298 PolarHBondContact O-OG1 2.73Å; T268-T298 VanDerWaalsContact O-OG1 3.04Å; T268-I302 HydrophobicContact CG2-CD1 3.78Å
269F95.3Very high93.8Very high14 Ų1439.4 Ų39.46%0.06123%0.226CC..Hα-helixtrans-107.1-10.1-169.2-51.4-61.3000113.9W237 F252 L253 M265 N297 L299 F318 Y320W237-F269 AromaticContact CH2-CD2 3.78Å; W237-F269 HydrophobicContact CH2-CD2 3.78Å; W237-F269 AromaticContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CE2 3.51Å; W237-F269 HydrophobicContact CH2-CZ 4.26Å; W237-F269 HydrophobicContact CZ2-CD2 4.26Å; W237-F269 AromaticContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CE2 3.6Å; W237-F269 HydrophobicContact CZ2-CZ 4.31Å; F252-F269 HydrophobicContact CE1-CE1 4.35Å; F252-F269 AromaticContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CE1-CZ 3.83Å; F252-F269 HydrophobicContact CZ-CE1 4.27Å; F252-F269 HydrophobicContact CZ-CZ 4.1Å; L253-F269 HydrophobicContact CD1-CE2 3.99Å; L253-F269 HydrophobicContact CD1-CZ 4.23Å; M265-F269 HydrophobicContact CB-CD2 4.13Å; M265-F269 HydrophobicContact CB-CE2 4.38Å; M265-F269 HydrophobicContact CG-CE2 4.39Å; M265-F269 VanDerWaalsContact O-CD2 3.24Å; M265-F269 WeakPolarHBondContact O-CD2 3.46Å; M265-F269 PolarHBondContact O-N 2.92Å; F269-N297 PolarHBondContact O-ND2 2.77Å; F269-L299 HydrophobicContact CD1-CD1 3.75Å; F269-L299 HydrophobicContact CD1-CG 4Å; F269-L299 HydrophobicContact CE1-CD1 3.74Å; F269-L299 HydrophobicContact CE1-CD2 4.04Å; F269-L299 HydrophobicContact CE1-CG 3.87Å; F269-F318 HydrophobicContact CD1-CB 4.05Å; F269-F318 HydrophobicContact CD1-CG 4.34Å; F269-F318 HydrophobicContact CE1-CB 3.72Å; F269-F318 HydrophobicContact CE1-CD1 4.06Å; F269-F318 AromaticContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CE2 4.11Å; F269-F318 AromaticContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE2-CD1 4.27Å; F269-F318 HydrophobicContact CE2-CG 4.45Å; F269-F318 HydrophobicContact CZ-CB 4.02Å; F269-F318 AromaticContact CZ-CD1 3.6Å; F269-F318 HydrophobicContact CZ-CD1 3.6Å; F269-F318 AromaticContact CZ-CD2 3.88Å; F269-F318 HydrophobicContact CZ-CD2 3.88Å; F269-F318 AromaticContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE2 4.19Å; F269-F318 AromaticContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CZ 4.19Å; F269-Y320 HydrophobicContact CB-CE2 3.9Å
270G94.4Very high93.8Very high7 Ų735.7 Ų35.77%0.07221%0.208CC..  trans89.8162.5-170.200000112.3V266 Q294 Y320V266-G270 CarbonylContact O-C 3.44Å; V266-G270 WeakPolarHBondContact O-CA 3.34Å; V266-G270 PolarHBondContact O-N 3.33Å; G270-Q294 CarbonylContact C-O 3.33Å; G270-Q294 VanDerWaalsContact CA-O 3.23Å; G270-Q294 WeakPolarHBondContact CA-O 3.39Å; G270-Y320 WeakPolarHBondContact O-CE2 3.48Å; G270-Y320 PolarHBondContact O-OH 2.99Å
271T93.7Very high93.6Very high16 Ų1636.2 Ų36.210%0.09822%0.219CC..  trans-72.3124.9-179.9-50.70000110.5V266 L291 E292 Q294V266-T271 WeakPolarHBondContact CG1-OG1 3.35Å; T271-L291 HydrophobicContact CG2-CB 3.9Å; T271-L291 HydrophobicContact CG2-CD1 4.25Å; T271-E292 WeakPolarHBondContact CG2-O 3.44Å; T271-E292 PolarHBondContact OG1-O 2.86Å; T271-Q294 PolarHBondContact N-O 3.47Å; T271-Q294 PolarHBondContact OG1-N 2.85Å; T271-Q294 PolarHBondContact OG1-O 3.1Å
272P92.8Very high93.4Very high7 Ų744 Ų445%0.04525%0.253CS..  trans-65.9141.517328-33.8000110.3L280 L291 Y320P272-L280 HydrophobicContact CB-CD1 4.35Å; P272-L280 HydrophobicContact CB-CD2 3.93Å; P272-L280 HydrophobicContact CG-CD1 4.21Å; P272-L280 HydrophobicContact CG-CD2 4.09Å; P272-L280 WeakPolarHBondContact O-CD2 3.44Å; P272-L291 HydrophobicContact CG-CD1 3.76Å; P272-Y320 HydrophobicContact CB-CD1 3.95Å; P272-Y320 HydrophobicContact CB-CD2 3.88Å; P272-Y320 HydrophobicContact CB-CE1 4.21Å; P272-Y320 HydrophobicContact CB-CE2 4.14Å; P272-Y320 HydrophobicContact CB-CG 3.78Å; P272-Y320 HydrophobicContact CG-CD1 4.08Å; P272-Y320 HydrophobicContact CG-CE1 3.95Å; P272-Y320 HydrophobicContact CG-CE2 4.44Å; P272-Y320 HydrophobicContact CG-CG 4.4Å
273T92.2Very high93.2Very high65 Ų6544.2 Ų44.240%0.39925%0.254SS..  trans-121.5166.7175.765.30000110A275 I276 W277T273-A275 PolarHBondContact O-N 3.31Å; T273-I276 PolarHBondContact O-N 3.15Å; T273-W277 PolarHBondContact O-N 3.27Å
274E93.2Very high93Very high80 Ų8042.9 Ų42.937%0.37425%0.251SS..THydrogen-bonded Turntrans-57.3-28.3173.4-77-64.2152.400113.2W277 P278 G279 L280 S281E274-W277 CarbonylContact O-C 3.49Å; E274-P278 WeakPolarHBondContact O-CA 3.39Å; E274-G279 PolarHBondContact OE2-N 2.76Å; E274-L280 PolarHBondContact OE1-N 3.43Å; E274-S281 WeakPolarHBondContact OE1-CA 3.15Å; E274-S281 WeakPolarHBondContact OE1-CB 3.43Å; E274-S281 PolarHBondContact OE1-N 3.23Å; E274-S281 PolarHBondContact OE1-OG 2.86Å
275A93.1Very high92.5Very high88 Ų8841.5 Ų41.573%0.72725%0.246SC*.THydrogen-bonded Turntrans-68.5-37.3175.200000112T273T273-A275 PolarHBondContact O-N 3.31Å
276I92.4Very high92.1Very high78 Ų7843 Ų4340%0.425%0.253SS..THydrogen-bonded Turntrans-79.3-47.1-179.5-63.2170.6000110.2T273 Y320T273-I276 PolarHBondContact O-N 3.15Å; I276-Y320 HydrophobicContact CG2-CD2 4.4Å
277W94.3Very high91.6Very high15 Ų1552.4 Ų52.46%0.05729%0.288CS..SBendtrans-12991.3-178.6-174.83.3000110.5P221 E222 L225 T273 E274 G279 L280 L283 Y320 D321 P322P221-W277 HydrophobicContact CB-CZ3 4.22Å; E222-W277 HydrophobicContact CB-CH2 3.81Å; E222-W277 HydrophobicContact CB-CZ2 4.01Å; L225-W277 HydrophobicContact CD1-CH2 4.05Å; L225-W277 HydrophobicContact CD1-CZ3 3.67Å; T273-W277 PolarHBondContact O-N 3.27Å; E274-W277 CarbonylContact O-C 3.49Å; W277-G279 PolarHBondContact O-N 2.76Å; W277-L280 HydrophobicContact CB-CB 4.42Å; W277-L280 HydrophobicContact CD2-CD1 4.16Å; W277-L280 HydrophobicContact CE3-CD1 3.58Å; W277-L280 HydrophobicContact CG-CB 4.48Å; W277-L280 HydrophobicContact CZ3-CD1 3.94Å; W277-L280 VanDerWaalsContact O-CB 3.26Å; W277-L280 WeakPolarHBondContact O-CB 3.33Å; W277-L280 PolarHBondContact O-N 2.72Å; W277-L280 VanDerWaalsContact O-N 3.12Å; W277-L283 HydrophobicContact CE3-CD1 4.49Å; W277-L283 HydrophobicContact CH2-CD1 3.39Å; W277-L283 HydrophobicContact CZ2-CD1 3.56Å; W277-L283 HydrophobicContact CZ2-CD2 4.43Å; W277-L283 HydrophobicContact CZ3-CD1 3.91Å; W277-Y320 HydrophobicContact CE3-CD1 4.49Å; W277-D321 HydrophobicContact CB-CB 4.25Å; W277-D321 HydrophobicContact CG-CB 4.17Å; W277-P322 HydrophobicContact CZ2-CG 4.31Å
278P93.8Very high91.1Very high78 Ų7854.8 Ų54.851%0.50631%0.31SS..THydrogen-bonded Turntrans-59.2126.3177.3-25.535.4000111.8E274E274-P278 WeakPolarHBondContact O-CA 3.39Å
279G91.5Very high90.6Very high22 Ų2256.1 Ų56.123%0.22732%0.315CS..THydrogen-bonded Turntrans92.16.3-17700000114.9E274 W277 S281 K282E274-G279 PolarHBondContact OE2-N 2.76Å; W277-G279 PolarHBondContact O-N 2.76Å; G279-S281 VanDerWaalsContact C-N 3.35Å; G279-S281 PolarHBondContact O-N 2.81Å; G279-K282 WeakPolarHBondContact O-CB 3.26Å; G279-K282 PolarHBondContact O-N 2.76Å
280L92Very high90.1Very high11 Ų1161 Ų616%0.05835%0.35CS..G310 helixtrans-49.5-52175.3176.670.9000112.1L225 P272 E274 W277 K282 L283 L286L225-L280 HydrophobicContact CD1-CD1 3.94Å; P272-L280 HydrophobicContact CB-CD1 4.35Å; P272-L280 HydrophobicContact CB-CD2 3.93Å; P272-L280 HydrophobicContact CG-CD1 4.21Å; P272-L280 HydrophobicContact CG-CD2 4.09Å; P272-L280 WeakPolarHBondContact O-CD2 3.44Å; E274-L280 PolarHBondContact OE1-N 3.43Å; W277-L280 HydrophobicContact CB-CB 4.42Å; W277-L280 HydrophobicContact CD2-CD1 4.16Å; W277-L280 HydrophobicContact CE3-CD1 3.58Å; W277-L280 HydrophobicContact CG-CB 4.48Å; W277-L280 HydrophobicContact CZ3-CD1 3.94Å; W277-L280 VanDerWaalsContact O-CB 3.26Å; W277-L280 WeakPolarHBondContact O-CB 3.33Å; W277-L280 PolarHBondContact O-N 2.72Å; W277-L280 VanDerWaalsContact O-N 3.12Å; L280-K282 PolarHBondContact O-N 3.48Å; L280-L283 HydrophobicContact CD1-CD1 4.02Å; L280-L283 VanDerWaalsContact O-CB 3.25Å; L280-L283 WeakPolarHBondContact O-CB 3.29Å; L280-L283 VanDerWaalsContact O-CG 3.27Å; L280-L283 WeakPolarHBondContact O-CG 3.36Å; L280-L283 PolarHBondContact O-N 3.22Å; L280-L286 HydrophobicContact CD1-CD1 3.74Å; L280-L286 HydrophobicContact CG-CD1 3.73Å; L280-L286 WeakPolarHBondContact O-CD1 3.49Å
281S89.2Confident89.7Confident78 Ų7862.1 Ų62.155%0.54536%0.355SS..G310 helixtrans-57.6-19.6178.453.90000114.4E274 G279E274-S281 WeakPolarHBondContact OE1-CA 3.15Å; E274-S281 WeakPolarHBondContact OE1-CB 3.43Å; E274-S281 PolarHBondContact OE1-N 3.23Å; E274-S281 PolarHBondContact OE1-OG 2.86Å; G279-S281 VanDerWaalsContact C-N 3.35Å; G279-S281 PolarHBondContact O-N 2.81Å
282K90.4Very high89.4Confident164 Ų16466 Ų6671%0.71337%0.372SS*.G310 helixtrans-85.8-10.2178.9-58.6-179.7-177.8175.10112.7G279 L280G279-K282 WeakPolarHBondContact O-CB 3.26Å; G279-K282 PolarHBondContact O-N 2.76Å; L280-K282 PolarHBondContact O-N 3.48Å
283L89.6Confident89.1Confident17 Ų1773.5 Ų73.59%0.08941%0.406CS..SBendtrans-67.3135.8-178.3-65.8176.6000111.2L225 W277 L280 A285 L286L225-L283 HydrophobicContact CB-CB 4.23Å; L225-L283 HydrophobicContact CB-CD1 3.66Å; L225-L283 HydrophobicContact CB-CG 4.5Å; L225-L283 HydrophobicContact CD1-CD1 3.7Å; L225-L283 HydrophobicContact CG-CD1 4.34Å; W277-L283 HydrophobicContact CE3-CD1 4.49Å; W277-L283 HydrophobicContact CH2-CD1 3.39Å; W277-L283 HydrophobicContact CZ2-CD1 3.56Å; W277-L283 HydrophobicContact CZ2-CD2 4.43Å; W277-L283 HydrophobicContact CZ3-CD1 3.91Å; L280-L283 HydrophobicContact CD1-CD1 4.02Å; L280-L283 VanDerWaalsContact O-CB 3.25Å; L280-L283 WeakPolarHBondContact O-CB 3.29Å; L280-L283 VanDerWaalsContact O-CG 3.27Å; L280-L283 WeakPolarHBondContact O-CG 3.36Å; L280-L283 PolarHBondContact O-N 3.22Å; L283-A285 VanDerWaalsContact C-N 3.35Å; L283-A285 PolarHBondContact O-N 2.89Å; L283-L286 PolarHBondContact O-N 2.83Å
284P88.9Confident88.9Confident40 Ų4071.9 Ų71.926%0.2639%0.394SS..G310 helixtrans-58.1-41.6-171.8-25.534000114.3L225 E226 L286 R287L225-P284 WeakPolarHBondContact O-CD 3.44Å; E226-P284 HydrophobicContact CB-CB 4.07Å; E226-P284 HydrophobicContact CB-CG 4.1Å; E226-P284 VanDerWaalsContact O-CD 3.31Å; E226-P284 WeakPolarHBondContact O-CD 3.39Å; E226-P284 WeakPolarHBondContact O-CG 3.38Å; P284-L286 VanDerWaalsContact C-N 3.3Å; P284-L286 PolarHBondContact O-N 3.24Å; P284-R287 WeakPolarHBondContact O-CB 3.4Å; P284-R287 WeakPolarHBondContact O-CG 3.49Å; P284-R287 PolarHBondContact O-N 3.37Å; P284-R287 VanDerWaalsContact O-N 3.16Å
285A85.6Confident88.4Confident9 Ų973.8 Ų73.87%0.07441%0.413CS..G310 helixtrans-65-33.1-173.700000113L225 E226 L283 R287 S288 F289L225-A285 HydrophobicContact CB-CB 4.46Å; L225-A285 HydrophobicContact CD2-CB 4.26Å; E226-A285 HydrophobicContact CG-CB 4.26Å; L283-A285 VanDerWaalsContact C-N 3.35Å; L283-A285 PolarHBondContact O-N 2.89Å; A285-R287 PolarHBondContact O-N 3.32Å; A285-R287 VanDerWaalsContact O-N 3.14Å; A285-S288 PolarHBondContact O-N 3.26Å; A285-F289 HydrophobicContact CB-CE1 3.83Å; A285-F289 HydrophobicContact CB-CZ 4.33Å; A285-F289 WeakPolarHBondContact O-CD1 3.24Å; A285-F289 WeakPolarHBondContact O-CE1 3.31Å
286L87Confident88Confident35 Ų3576.1 Ų76.118%0.18340%0.404CS..G310 helixtrans-71.9-3.7179.7-68.2178.2000113.8L225 L280 L283 P284 S288 F289 L291L225-L286 HydrophobicContact CD2-CD2 4.02Å; L225-L286 HydrophobicContact CD2-CG 4.1Å; L280-L286 HydrophobicContact CD1-CD1 3.74Å; L280-L286 HydrophobicContact CG-CD1 3.73Å; L280-L286 WeakPolarHBondContact O-CD1 3.49Å; L283-L286 PolarHBondContact O-N 2.83Å; P284-L286 VanDerWaalsContact C-N 3.3Å; P284-L286 PolarHBondContact O-N 3.24Å; L286-S288 VanDerWaalsContact C-N 3.27Å; L286-F289 HydrophobicContact CD2-CD2 4.44Å; L286-F289 HydrophobicContact CD2-CE2 3.85Å; L286-F289 HydrophobicContact CD2-CZ 4.01Å; L286-L291 HydrophobicContact CD2-CD1 4.03Å; L286-L291 HydrophobicContact CD2-CD2 4.1Å; L286-L291 HydrophobicContact CD2-CG 3.76Å
287R84.8Confident87.8Confident202 Ų20275.5 Ų75.576%0.76240%0.402SS*.G310 helixtrans-75.4-20.7168.5-60.2178.8-178-173.2-1.8112.3P284 A285P284-R287 WeakPolarHBondContact O-CB 3.4Å; P284-R287 WeakPolarHBondContact O-CG 3.49Å; P284-R287 PolarHBondContact O-N 3.37Å; P284-R287 VanDerWaalsContact O-N 3.16Å; A285-R287 PolarHBondContact O-N 3.32Å; A285-R287 VanDerWaalsContact O-N 3.14Å
288S83.5Confident87.7Confident111 Ų11175.8 Ų75.878%0.77641%0.405SS*.THydrogen-bonded Turntrans-104.1-16.8-173.7-59.50000113.6A285 L286A285-S288 PolarHBondContact O-N 3.26Å; L286-S288 VanDerWaalsContact C-N 3.27Å
289F85.2Confident87.6Confident42 Ų4272.1 Ų72.118%0.18438%0.381CS..  trans-154161.1177.967-85.9000111.8L225 M259 I262 A285 L286 L291L225-F289 HydrophobicContact CD2-CZ 3.85Å; M259-F289 HydrophobicContact CE-CB 3.55Å; M259-F289 HydrophobicContact CE-CD1 3.48Å; M259-F289 VanDerWaalsContact CE-CD1 3.48Å; M259-F289 HydrophobicContact CE-CD2 3.53Å; M259-F289 HydrophobicContact CE-CE1 4.01Å; M259-F289 HydrophobicContact CE-CE2 4.08Å; M259-F289 HydrophobicContact CE-CG 3.22Å; M259-F289 HydrophobicContact CE-CZ 4.31Å; M259-F289 HydrophobicContact SD-CD2 3.75Å; M259-F289 HydrophobicContact SD-CE2 4.05Å; M259-F289 HydrophobicContact SD-CG 4.1Å; I262-F289 HydrophobicContact CD1-CE1 4.39Å; I262-F289 HydrophobicContact CD1-CE2 4.05Å; I262-F289 HydrophobicContact CD1-CZ 3.51Å; I262-F289 HydrophobicContact CG2-CE2 4.33Å; A285-F289 HydrophobicContact CB-CE1 3.83Å; A285-F289 HydrophobicContact CB-CZ 4.33Å; A285-F289 WeakPolarHBondContact O-CD1 3.24Å; A285-F289 WeakPolarHBondContact O-CE1 3.31Å; L286-F289 HydrophobicContact CD2-CD2 4.44Å; L286-F289 HydrophobicContact CD2-CE2 3.85Å; L286-F289 HydrophobicContact CD2-CZ 4.01Å; F289-L291 HydrophobicContact CE2-CD2 3.87Å
290S84.2Confident87.7Confident115 Ų11578.2 Ų78.280%0.80440%0.402SS*.PPolyproline II helixtrans-103.8147.3173.3-63.80000110.8
291L86.9Confident87.7Confident31 Ų3182.5 Ų82.516%0.16243%0.428CS..PPolyproline II helixtrans-78.4141.1174.2-62.5170000110.1I262 V266 T271 P272 L286 F289I262-L291 HydrophobicContact CG2-CD2 3.43Å; I262-L291 VanDerWaalsContact CG2-CD2 3.43Å; V266-L291 HydrophobicContact CG2-CD2 4.1Å; T271-L291 HydrophobicContact CG2-CB 3.9Å; T271-L291 HydrophobicContact CG2-CD1 4.25Å; P272-L291 HydrophobicContact CG-CD1 3.76Å; L286-L291 HydrophobicContact CD2-CD1 4.03Å; L286-L291 HydrophobicContact CD2-CD2 4.1Å; L286-L291 HydrophobicContact CD2-CG 3.76Å; F289-L291 HydrophobicContact CE2-CD2 3.87Å
292E87.5Confident88Confident98 Ų9881.6 Ų81.646%0.45842%0.417SS..PPolyproline II helixtrans-61.4153.3168.8-66.5-175.9166.500110.5Q263 V266 T271Q263-E292 WeakPolarHBondContact CG-OE2 3.29Å; Q263-E292 PolarHBondContact NE2-OE1 2.88Å; Q263-E292 PolarHBondContact NE2-OE2 3.34Å; V266-E292 HydrophobicContact CG1-CB 4.46Å; V266-E292 WeakPolarHBondContact CG1-O 3.31Å; T271-E292 WeakPolarHBondContact CG2-O 3.44Å; T271-E292 PolarHBondContact OG1-O 2.86Å
293Q86.7Confident88.2Confident165 Ų16574.2 Ų74.277%0.77138%0.384SS*.  trans-91.4113.5178.3-66.3-63.3-37.200109.6
294Q88.1Confident88.4Confident30 Ų3079 Ų7914%0.1442%0.415CS..  trans-133.5104.3173.3178.567.5-50.600108.1V266 G270 T271 Y296V266-Q294 HydrophobicContact CG1-CB 3.81Å; V266-Q294 WeakPolarHBondContact O-CG 3.25Å; G270-Q294 CarbonylContact C-O 3.33Å; G270-Q294 VanDerWaalsContact CA-O 3.23Å; G270-Q294 WeakPolarHBondContact CA-O 3.39Å; T271-Q294 PolarHBondContact N-O 3.47Å; T271-Q294 PolarHBondContact OG1-N 2.85Å; T271-Q294 PolarHBondContact OG1-O 3.1Å; Q294-Y296 VanDerWaalsContact C-N 3.34Å; Q294-Y296 PolarHBondContact O-N 2.67Å
295P82Confident88.5Confident120 Ų12082.5 Ų82.578%0.77944%0.44SS*.  trans-80-12.7-169.626.2-29000114.2
296Y84.6Confident89Confident138 Ų13882.9 Ų82.954%0.54144%0.441SS..SBendtrans-125.1151.3-173.753.7-95.6000113.4Q294 T298Q294-Y296 VanDerWaalsContact C-N 3.34Å; Q294-Y296 PolarHBondContact O-N 2.67Å; Y296-T298 HydrophobicContact CD2-CG2 3.56Å; Y296-T298 HydrophobicContact CE2-CG2 3.49Å; Y296-T298 VanDerWaalsContact CE2-CG2 3.49Å
297N88.7Confident89.4Confident64 Ų6482.8 Ų82.834%0.34244%0.443SS..  trans-87.3128.8173.7-172.1-56.8000110F269 L299F269-N297 PolarHBondContact O-ND2 2.77Å; N297-L299 WeakPolarHBondContact OD1-CB 3.45Å; N297-L299 PolarHBondContact OD1-N 3.23Å
298T91.3Very high90Very high22 Ų2277 Ų7714%0.13544%0.438CS..  trans-104.18.2-175.660.40000113.3N267 T268 Y296 K300 T301 I302N267-T298 PolarHBondContact O-OG1 3.49Å; N267-T298 VanDerWaalsContact O-OG1 3.04Å; T268-T298 VanDerWaalsContact CA-OG1 3.28Å; T268-T298 WeakPolarHBondContact CA-OG1 3.34Å; T268-T298 PolarHBondContact O-N 3.47Å; T268-T298 PolarHBondContact O-OG1 2.73Å; T268-T298 VanDerWaalsContact O-OG1 3.04Å; Y296-T298 HydrophobicContact CD2-CG2 3.56Å; Y296-T298 HydrophobicContact CE2-CG2 3.49Å; Y296-T298 VanDerWaalsContact CE2-CG2 3.49Å; T298-K300 VanDerWaalsContact C-N 3.27Å; T298-K300 PolarHBondContact O-N 3.04Å; T298-T301 WeakPolarHBondContact CB-OG1 3.13Å; T298-T301 PolarHBondContact O-N 2.97Å; T298-T301 PolarHBondContact O-OG1 2.91Å; T298-I302 WeakPolarHBondContact O-CG1 3.49Å; T298-I302 PolarHBondContact O-N 3.17Å; T298-I302 VanDerWaalsContact O-N 3.08Å
299L92.5Very high90.7Very high0 Ų074 Ų740%041%0.413CS..Hα-helixtrans-53.6-43.6177-87.6163.7000112.4F252 F269 N297 T301 I302 F303 L311 L314 F318F252-L299 HydrophobicContact CZ-CD2 3.99Å; F269-L299 HydrophobicContact CD1-CD1 3.75Å; F269-L299 HydrophobicContact CD1-CG 4Å; F269-L299 HydrophobicContact CE1-CD1 3.74Å; F269-L299 HydrophobicContact CE1-CD2 4.04Å; F269-L299 HydrophobicContact CE1-CG 3.87Å; N297-L299 WeakPolarHBondContact OD1-CB 3.45Å; N297-L299 PolarHBondContact OD1-N 3.23Å; L299-T301 VanDerWaalsContact C-N 3.26Å; L299-T301 PolarHBondContact O-N 3.39Å; L299-I302 PolarHBondContact O-N 3.12Å; L299-I302 VanDerWaalsContact O-N 3.14Å; L299-F303 HydrophobicContact CD2-CD2 3.81Å; L299-F303 HydrophobicContact CD2-CE2 3.72Å; L299-F303 WeakPolarHBondContact O-CD2 3.1Å; L299-F303 PolarHBondContact O-N 3.16Å; L299-L311 HydrophobicContact CB-CD2 4.36Å; L299-L314 HydrophobicContact CD2-CD1 4.26Å; L299-F318 HydrophobicContact CD1-CD2 4.18Å; L299-F318 HydrophobicContact CD2-CD2 4.48Å; L299-F318 HydrophobicContact CD2-CE2 4.46Å
300K92.9Very high91.3Very high151 Ų15172 Ų7266%0.65741%0.405SS*.Hα-helixtrans-63.2-31.6179.2-174.2176.6-179.6-176.20112.7T298 L311T298-K300 VanDerWaalsContact C-N 3.27Å; T298-K300 PolarHBondContact O-N 3.04Å; K300-L311 HydrophobicContact CB-CD1 4.2Å; K300-L311 HydrophobicContact CG-CD1 3.96Å
301T92.9Very high91.9Very high100 Ų10067.3 Ų67.361%0.61337%0.371SS*.Hα-helixtrans-78.7-25.9177.459.10000112.1T298 L299 T304T298-T301 WeakPolarHBondContact CB-OG1 3.13Å; T298-T301 PolarHBondContact O-N 2.97Å; T298-T301 PolarHBondContact O-OG1 2.91Å; L299-T301 VanDerWaalsContact C-N 3.26Å; L299-T301 PolarHBondContact O-N 3.39Å; T301-T304 WeakPolarHBondContact O-CG2 3.39Å
302I94.7Very high92.4Very high59 Ų5972.8 Ų72.830%0.30339%0.393SS..Hα-helixtrans-78.2-44175-62.6168000110.6L248 F252 T268 T298 L299L248-I302 HydrophobicContact CD1-CG2 4.07Å; L248-I302 HydrophobicContact CD2-CG2 4.06Å; F252-I302 HydrophobicContact CE2-CD1 4.12Å; F252-I302 HydrophobicContact CE2-CG2 4.34Å; T268-I302 HydrophobicContact CG2-CD1 3.78Å; T298-I302 WeakPolarHBondContact O-CG1 3.49Å; T298-I302 PolarHBondContact O-N 3.17Å; T298-I302 VanDerWaalsContact O-N 3.08Å; L299-I302 PolarHBondContact O-N 3.12Å; L299-I302 VanDerWaalsContact O-N 3.14Å
303F95.1Very high92.9Very high9 Ų968.2 Ų68.24%0.03937%0.372CS..  trans-105.962.2-175.7-65.2-79.6000111.5C244 L247 L248 F252 L299 S305 L306 L311 L314C244-F303 HydrophobicContact CB-CE1 4.4Å; C244-F303 HydrophobicContact CB-CE2 4.33Å; C244-F303 HydrophobicContact CB-CZ 3.58Å; C244-F303 WeakPolarHBondContact SG-CZ 3.12Å; L247-F303 HydrophobicContact CB-CD1 4.33Å; L247-F303 HydrophobicContact CB-CE1 3.83Å; L247-F303 HydrophobicContact CD1-CD1 4.27Å; L247-F303 HydrophobicContact CD1-CE1 4.12Å; L248-F303 HydrophobicContact CD1-CE1 4.07Å; L248-F303 HydrophobicContact CD1-CZ 3.71Å; L248-F303 HydrophobicContact CD2-CD1 4.36Å; L248-F303 HydrophobicContact CD2-CE1 3.86Å; L248-F303 HydrophobicContact CD2-CZ 4.26Å; L248-F303 HydrophobicContact CG-CE1 3.6Å; L248-F303 HydrophobicContact CG-CZ 3.8Å; F252-F303 HydrophobicContact CD2-CE2 4.46Å; F252-F303 HydrophobicContact CD2-CZ 4.33Å; F252-F303 AromaticContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CE2 3.83Å; F252-F303 HydrophobicContact CE2-CZ 4.14Å; F252-F303 HydrophobicContact CZ-CE2 4.17Å; L299-F303 HydrophobicContact CD2-CD2 3.81Å; L299-F303 HydrophobicContact CD2-CE2 3.72Å; L299-F303 WeakPolarHBondContact O-CD2 3.1Å; L299-F303 PolarHBondContact O-N 3.16Å; F303-S305 VanDerWaalsContact C-N 3.3Å; F303-S305 PolarHBondContact O-N 2.91Å; F303-L306 HydrophobicContact CB-CB 3.77Å; F303-L306 HydrophobicContact CB-CD2 4.07Å; F303-L306 HydrophobicContact CD1-CD2 4.48Å; F303-L306 HydrophobicContact CG-CD2 4.32Å; F303-L306 PolarHBondContact O-N 3.14Å; F303-L311 HydrophobicContact CB-CD2 4.13Å; F303-L314 HydrophobicContact CD2-CD1 3.95Å; F303-L314 HydrophobicContact CE2-CD1 4.07Å; F303-L314 HydrophobicContact CG-CD1 4.26Å; F303-L314 HydrophobicContact CZ-CD1 4.45Å
304T92.9Very high93.5Very high119 Ų11960.4 Ų60.473%0.7334%0.336SS*.THydrogen-bonded Turntrans-66.5-28.6-174.5570000114T301T301-T304 WeakPolarHBondContact O-CG2 3.39Å
305S91.7Very high93.9Very high112 Ų11262.7 Ų62.778%0.78335%0.346SS*.THydrogen-bonded Turntrans-89.2-9.3177.955.10000113.8F303F303-S305 VanDerWaalsContact C-N 3.3Å; F303-S305 PolarHBondContact O-N 2.91Å
306L95.5Very high94.7Very high17 Ų1758.7 Ų58.79%0.08932%0.321CS..SBendtrans-76.5138.4-177.6-170.465.6000110.3L247 F303 L311 L314 Y336L247-L306 HydrophobicContact CD1-CD1 4.09Å; L247-L306 HydrophobicContact CD1-CD2 4.26Å; F303-L306 HydrophobicContact CB-CB 3.77Å; F303-L306 HydrophobicContact CB-CD2 4.07Å; F303-L306 HydrophobicContact CD1-CD2 4.48Å; F303-L306 HydrophobicContact CG-CD2 4.32Å; F303-L306 PolarHBondContact O-N 3.14Å; L306-L311 HydrophobicContact CB-CG 4.48Å; L306-L311 HydrophobicContact CD2-CD2 4.25Å; L306-L311 HydrophobicContact CD2-CG 4.19Å; L306-L311 HydrophobicContact CG-CG 4.49Å; L306-L314 HydrophobicContact CD2-CD1 3.54Å; L306-L314 HydrophobicContact CD2-CG 4.22Å; L306-Y336 HydrophobicContact CD1-CE2 3.67Å
307S96.7Very high95.3Very high33 Ų3352.3 Ų52.323%0.23130%0.296CS..  trans-60.7161.1177.173.50000112.2N309 G310 L311 E339S307-N309 PolarHBondContact O-N 3.49Å; S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.14Å; S307-G310 PolarHBondContact OG-N 2.81Å; S307-L311 PolarHBondContact O-N 3.47Å; S307-E339 WeakPolarHBondContact CB-OE1 3.33Å; S307-E339 PolarHBondContact OG-OE1 3.29Å
308A96.9Very high95.7Very high81 Ų8149.7 Ų49.767%0.66928%0.282SS*.Hα-helixtrans-59.1-35.2174.400000112.4K312A308-K312 WeakPolarHBondContact O-CB 3.46Å; A308-K312 PolarHBondContact O-N 2.84Å
309N97.7Very high96Very high47 Ų4750.6 Ų50.625%0.25129%0.287SS..Hα-helixtrans-73-34.9177.1-69.8-45.9000112.1S307 K312 L313 V335 E339S307-N309 PolarHBondContact O-N 3.49Å; N309-K312 WeakPolarHBondContact O-CB 3.28Å; N309-K312 PolarHBondContact O-N 2.79Å; N309-L313 PolarHBondContact O-N 2.71Å; N309-V335 HydrophobicContact CB-CB 4.36Å; N309-E339 PolarHBondContact ND2-OE2 3.44Å
310G97.6Very high96.2Very high1 Ų151.3 Ų51.31%0.0129%0.29CS..Hα-helixtrans-64-46.417200000111.9S307 K312 L313 L314S307-G310 PolarHBondContact O-N 3.47Å; S307-G310 VanDerWaalsContact O-N 3.14Å; S307-G310 PolarHBondContact OG-N 2.81Å; G310-K312 VanDerWaalsContact C-N 3.31Å; G310-K312 PolarHBondContact O-N 3.06Å; G310-L313 WeakPolarHBondContact O-CB 3.12Å; G310-L313 PolarHBondContact O-N 2.75Å; G310-L314 PolarHBondContact O-N 2.95Å
311L97.4Very high96.2Very high17 Ų1745 Ų459%0.08926%0.263CS..Hα-helixtrans-59.8-41.8173.2-77.8170.5000111.8L299 K300 F303 L306 S307 L313 L314 H315L299-L311 HydrophobicContact CB-CD2 4.36Å; K300-L311 HydrophobicContact CB-CD1 4.2Å; K300-L311 HydrophobicContact CG-CD1 3.96Å; F303-L311 HydrophobicContact CB-CD2 4.13Å; L306-L311 HydrophobicContact CB-CG 4.48Å; L306-L311 HydrophobicContact CD2-CD2 4.25Å; L306-L311 HydrophobicContact CD2-CG 4.19Å; L306-L311 HydrophobicContact CG-CG 4.49Å; S307-L311 PolarHBondContact O-N 3.47Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 2.95Å; L311-L314 PolarHBondContact O-N 2.82Å; L311-H315 PolarHBondContact O-CD2 3.37Å; L311-H315 PolarHBondContact O-N 3.36Å
312K97.4Very high96.3Very high145 Ų14541.2 Ų41.263%0.6324%0.241SC*.Hα-helixtrans-59.9-41.7175.8-174.2178.5-179.6179.30112.1A308 N309 G310 H315 S316A308-K312 WeakPolarHBondContact O-CB 3.46Å; A308-K312 PolarHBondContact O-N 2.84Å; N309-K312 WeakPolarHBondContact O-CB 3.28Å; N309-K312 PolarHBondContact O-N 2.79Å; G310-K312 VanDerWaalsContact C-N 3.31Å; G310-K312 PolarHBondContact O-N 3.06Å; K312-H315 PolarHBondContact O-N 2.89Å; K312-S316 PolarHBondContact O-N 2.93Å; K312-S316 VanDerWaalsContact O-N 3.08Å
313L98.4Very high96.3Very high3 Ų342.9 Ų42.92%0.01626%0.264CS..Hα-helixtrans-59.7-51.6173.3174.461.4000110.6L243 N309 G310 L311 H315 S316 M317 C331 Y336 F337L243-L313 HydrophobicContact CD2-CD2 3.95Å; N309-L313 PolarHBondContact O-N 2.71Å; G310-L313 WeakPolarHBondContact O-CB 3.12Å; G310-L313 PolarHBondContact O-N 2.75Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-L313 PolarHBondContact O-N 2.95Å; L313-H315 VanDerWaalsContact C-N 3.35Å; L313-H315 PolarHBondContact O-N 2.94Å; L313-S316 WeakPolarHBondContact O-CB 3.45Å; L313-S316 PolarHBondContact O-N 3.17Å; L313-S316 PolarHBondContact O-OG 2.76Å; L313-M317 HydrophobicContact CD1-CG 4.19Å; L313-M317 HydrophobicContact CD1-SD 3.96Å; L313-M317 HydrophobicContact CG-SD 3.99Å; L313-M317 WeakPolarHBondContact O-CG 3.07Å; L313-M317 PolarHBondContact O-N 3.12Å; L313-M317 VanDerWaalsContact O-N 3.08Å; L313-C331 HydrophobicContact CD1-CB 3.97Å; L313-Y336 HydrophobicContact CD2-CD1 3.63Å; L313-Y336 HydrophobicContact CD2-CE1 4.36Å; L313-Y336 HydrophobicContact CD2-CG 4.35Å; L313-F337 HydrophobicContact CD2-CE1 4.46Å; L313-F337 HydrophobicContact CD2-CE2 3.78Å; L313-F337 HydrophobicContact CD2-CZ 3.63Å
314L98.1Very high96.3Very high0 Ų048.3 Ų48.30%029%0.287CS..Hα-helixtrans-58.1-45.5179-65.3-176.5000111.9L243 L299 F303 L306 G310 L311 S316 M317 F318L243-L314 HydrophobicContact CD2-CD2 3.73Å; L243-L314 HydrophobicContact CG-CD2 4.04Å; L299-L314 HydrophobicContact CD2-CD1 4.26Å; F303-L314 HydrophobicContact CD2-CD1 3.95Å; F303-L314 HydrophobicContact CE2-CD1 4.07Å; F303-L314 HydrophobicContact CG-CD1 4.26Å; F303-L314 HydrophobicContact CZ-CD1 4.45Å; L306-L314 HydrophobicContact CD2-CD1 3.54Å; L306-L314 HydrophobicContact CD2-CG 4.22Å; G310-L314 PolarHBondContact O-N 2.95Å; L311-L314 PolarHBondContact O-N 2.82Å; L314-S316 VanDerWaalsContact C-N 3.25Å; L314-S316 PolarHBondContact O-N 2.87Å; L314-M317 PolarHBondContact O-N 2.87Å; L314-M317 VanDerWaalsContact O-N 3.08Å; L314-F318 HydrophobicContact CB-CD2 4.23Å; L314-F318 HydrophobicContact CB-CE2 4.27Å; L314-F318 HydrophobicContact CD2-CE2 4.18Å; L314-F318 WeakPolarHBondContact O-CD2 3.35Å; L314-F318 PolarHBondContact O-N 2.87Å
315H97.1Very high96.5Very high78 Ų7843.1 Ų43.136%0.36125%0.254SS..Hα-helixtrans-57.6-38.9175.9-73.6-53.7000112.5L311 K312 L313 M317 F318 V319L311-H315 PolarHBondContact O-CD2 3.37Å; L311-H315 PolarHBondContact O-N 3.36Å; K312-H315 PolarHBondContact O-N 2.89Å; L313-H315 VanDerWaalsContact C-N 3.35Å; L313-H315 PolarHBondContact O-N 2.94Å; H315-M317 VanDerWaalsContact C-N 3.33Å; H315-F318 PolarHBondContact O-N 3.4Å; H315-V319 WeakPolarHBondContact O-CG2 3.43Å; H315-V319 PolarHBondContact O-N 2.98Å
316S97.8Very high96.8Very high37 Ų3738.4 Ų38.426%0.25922%0.222SC..Hα-helixtrans-69.8-29.4177.9790000113.4K312 L313 L314 A326K312-S316 PolarHBondContact O-N 2.93Å; K312-S316 VanDerWaalsContact O-N 3.08Å; L313-S316 WeakPolarHBondContact O-CB 3.45Å; L313-S316 PolarHBondContact O-N 3.17Å; L313-S316 PolarHBondContact O-OG 2.76Å; L314-S316 VanDerWaalsContact C-N 3.25Å; L314-S316 PolarHBondContact O-N 2.87Å; S316-A326 WeakPolarHBondContact O-CB 3.39Å; S316-A326 PolarHBondContact O-N 2.75Å
317M98.5Very high97Very high3 Ų340.5 Ų40.52%0.01524%0.236CC..Hα-helixtrans-81.4-28177.2-63.1177.984.700112.4L162 I236 A239 G240 L243 L313 L314 H315 R325L162-M317 HydrophobicContact CD2-CE 4.23Å; I236-M317 HydrophobicContact CG2-CB 4.15Å; I236-M317 HydrophobicContact CG2-CE 4.16Å; I236-M317 HydrophobicContact CG2-CG 4.04Å; I236-M317 WeakPolarHBondContact O-CE 3.32Å; A239-M317 HydrophobicContact CB-CE 3.77Å; G240-M317 VanDerWaalsContact N-CE 3.25Å; L243-M317 HydrophobicContact CD2-SD 4.36Å; L313-M317 HydrophobicContact CD1-CG 4.19Å; L313-M317 HydrophobicContact CD1-SD 3.96Å; L313-M317 HydrophobicContact CG-SD 3.99Å; L313-M317 WeakPolarHBondContact O-CG 3.07Å; L313-M317 PolarHBondContact O-N 3.12Å; L313-M317 VanDerWaalsContact O-N 3.08Å; L314-M317 PolarHBondContact O-N 2.87Å; L314-M317 VanDerWaalsContact O-N 3.08Å; H315-M317 VanDerWaalsContact C-N 3.33Å; M317-R325 WeakPolarHBondContact O-CD 3.49Å; M317-R325 WeakPolarHBondContact O-CG 3.49Å
318F97.8Very high97.1Very high9 Ų939 Ų394%0.03923%0.225CC..SBendtrans-102.423.9-178.8-62.8-58.5000114.3W237 G240 C244 F252 F269 L299 L314 H315 Y320W237-F318 AromaticContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CD1 3.88Å; W237-F318 HydrophobicContact CD2-CE1 4.36Å; W237-F318 AromaticContact CE2-CD1 3.98Å; W237-F318 HydrophobicContact CE3-CB 4.5Å; W237-F318 AromaticContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CE3-CD1 3.82Å; W237-F318 HydrophobicContact CH2-CB 4.43Å; W237-F318 AromaticContact CH2-CD1 4Å; W237-F318 HydrophobicContact CH2-CD1 4Å; W237-F318 HydrophobicContact CZ2-CD1 4.04Å; W237-F318 HydrophobicContact CZ3-CB 4.04Å; W237-F318 AromaticContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CD1 3.89Å; W237-F318 HydrophobicContact CZ3-CG 4.47Å; G240-F318 WeakPolarHBondContact O-CZ 3.43Å; C244-F318 VanDerWaalsContact SG-CE2 3.59Å; F252-F318 HydrophobicContact CD1-CZ 4.24Å; F252-F318 HydrophobicContact CE1-CE1 4.37Å; F252-F318 HydrophobicContact CE1-CE2 4.03Å; F252-F318 AromaticContact CE1-CZ 3.69Å; F252-F318 HydrophobicContact CE1-CZ 3.69Å; F269-F318 HydrophobicContact CD1-CB 4.05Å; F269-F318 HydrophobicContact CD1-CG 4.34Å; F269-F318 HydrophobicContact CE1-CB 3.72Å; F269-F318 HydrophobicContact CE1-CD1 4.06Å; F269-F318 AromaticContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CD2 3.55Å; F269-F318 HydrophobicContact CE1-CE2 4.11Å; F269-F318 AromaticContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE1-CG 3.51Å; F269-F318 HydrophobicContact CE2-CD1 4.27Å; F269-F318 HydrophobicContact CE2-CG 4.45Å; F269-F318 HydrophobicContact CZ-CB 4.02Å; F269-F318 AromaticContact CZ-CD1 3.6Å; F269-F318 HydrophobicContact CZ-CD1 3.6Å; F269-F318 AromaticContact CZ-CD2 3.88Å; F269-F318 HydrophobicContact CZ-CD2 3.88Å; F269-F318 AromaticContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE1 3.93Å; F269-F318 HydrophobicContact CZ-CE2 4.19Å; F269-F318 AromaticContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CG 3.57Å; F269-F318 HydrophobicContact CZ-CZ 4.19Å; L299-F318 HydrophobicContact CD1-CD2 4.18Å; L299-F318 HydrophobicContact CD2-CD2 4.48Å; L299-F318 HydrophobicContact CD2-CE2 4.46Å; L314-F318 HydrophobicContact CB-CD2 4.23Å; L314-F318 HydrophobicContact CB-CE2 4.27Å; L314-F318 HydrophobicContact CD2-CE2 4.18Å; L314-F318 WeakPolarHBondContact O-CD2 3.35Å; L314-F318 PolarHBondContact O-N 2.87Å; H315-F318 PolarHBondContact O-N 3.4Å; F318-Y320 PolarHBondContact O-N 2.84Å
319V96.8Very high97.1Very high41 Ų4136.9 Ų36.925%0.24821%0.208CC..  trans-64.4127170.4179.50000109.3H315 D321 K324 R325H315-V319 WeakPolarHBondContact O-CG2 3.43Å; H315-V319 PolarHBondContact O-N 2.98Å; V319-D321 HydrophobicContact CG1-CB 4.43Å; V319-K324 HydrophobicContact CG1-CB 3.91Å; V319-R325 HydrophobicContact CB-CB 4.15Å; V319-R325 HydrophobicContact CB-CG 4.36Å; V319-R325 PolarHBondContact O-NE 3.02Å; V319-R325 PolarHBondContact O-NH2 3.01Å; V319-R325 VanDerWaalsContact O-NH2 3.07Å
320Y95.7Very high97.2Very high15 Ų1540.2 Ų40.26%0.05922%0.221CC..SBendtrans-59.3-52180-84.6-71.6000112.4P221 M265 F269 G270 P272 I276 W277 F318 P322 R325P221-Y320 HydrophobicContact CB-CD1 4Å; P221-Y320 HydrophobicContact CB-CE1 4.17Å; P221-Y320 HydrophobicContact CG-CD1 3.86Å; P221-Y320 HydrophobicContact CG-CE1 4.31Å; M265-Y320 PolarHBondContact O-OH 2.84Å; F269-Y320 HydrophobicContact CB-CE2 3.9Å; G270-Y320 WeakPolarHBondContact O-CE2 3.48Å; G270-Y320 PolarHBondContact O-OH 2.99Å; P272-Y320 HydrophobicContact CB-CD1 3.95Å; P272-Y320 HydrophobicContact CB-CD2 3.88Å; P272-Y320 HydrophobicContact CB-CE1 4.21Å; P272-Y320 HydrophobicContact CB-CE2 4.14Å; P272-Y320 HydrophobicContact CB-CG 3.78Å; P272-Y320 HydrophobicContact CG-CD1 4.08Å; P272-Y320 HydrophobicContact CG-CE1 3.95Å; P272-Y320 HydrophobicContact CG-CE2 4.44Å; P272-Y320 HydrophobicContact CG-CG 4.4Å; I276-Y320 HydrophobicContact CG2-CD2 4.4Å; W277-Y320 HydrophobicContact CE3-CD1 4.49Å; F318-Y320 PolarHBondContact O-N 2.84Å; Y320-P322 WeakPolarHBondContact O-CD 3.37Å; Y320-R325 PolarHBondContact O-NH2 2.8Å; Y320-R325 VanDerWaalsContact O-NH2 3.12Å
321D94.6Very high97.2Very high18 Ų1840.2 Ų40.210%0.09622%0.221CC..SBendtrans-65.3112.2178-176.4-9.3000110.8W277 V319 A323 K324 R325W277-D321 HydrophobicContact CB-CB 4.25Å; W277-D321 HydrophobicContact CG-CB 4.17Å; V319-D321 HydrophobicContact CG1-CB 4.43Å; D321-A323 PolarHBondContact O-N 3.26Å; D321-A323 VanDerWaalsContact O-N 3.15Å; D321-A323 WeakPolarHBondContact OD1-CB 3.35Å; D321-A323 PolarHBondContact OD1-N 3.29Å; D321-K324 HydrophobicContact CB-CB 4.23Å; D321-K324 HydrophobicContact CB-CD 4.2Å; D321-K324 HydrophobicContact CB-CG 4.29Å; D321-K324 PolarHBondContact O-N 2.92Å; D321-K324 WeakPolarHBondContact OD2-CD 3.34Å; D321-K324 VanDerWaalsContact OD2-CE 3.27Å; D321-K324 WeakPolarHBondContact OD2-CE 3.29Å; D321-K324 IonicContact OD2-NZ 2.71Å; D321-R325 PolarHBondContact O-N 3.48Å
322P94.3Very high97.3Very high22 Ų2240.5 Ų40.514%0.14322%0.223CC..THydrogen-bonded Turntrans-62.3-23.4-178.1-21.134000113.4E222 A233 W277 Y320 K324E222-P322 HydrophobicContact CB-CG 3.87Å; E222-P322 VanDerWaalsContact CD-CG 3.49Å; E222-P322 HydrophobicContact CG-CG 3.82Å; A233-P322 HydrophobicContact CB-CB 3.86Å; A233-P322 WeakPolarHBondContact CB-O 3.45Å; W277-P322 HydrophobicContact CZ2-CG 4.31Å; Y320-P322 WeakPolarHBondContact O-CD 3.37Å; P322-K324 VanDerWaalsContact C-N 3.34Å
323A93.7Very high97.3Very high94 Ų9438.9 Ų38.978%0.77722%0.221SC*.THydrogen-bonded Turntrans-76.8-22.117800000112.8D321D321-A323 PolarHBondContact O-N 3.26Å; D321-A323 VanDerWaalsContact O-N 3.15Å; D321-A323 WeakPolarHBondContact OD1-CB 3.35Å; D321-A323 PolarHBondContact OD1-N 3.29Å
324K96.2Very high97.3Very high123 Ų12339.7 Ų39.754%0.53523%0.227SC..THydrogen-bonded Turntrans-102.9-11.5178.4-63.2177.7-170.7166.60113.1V319 D321 P322V319-K324 HydrophobicContact CG1-CB 3.91Å; D321-K324 HydrophobicContact CB-CB 4.23Å; D321-K324 HydrophobicContact CB-CD 4.2Å; D321-K324 HydrophobicContact CB-CG 4.29Å; D321-K324 PolarHBondContact O-N 2.92Å; D321-K324 WeakPolarHBondContact OD2-CD 3.34Å; D321-K324 VanDerWaalsContact OD2-CE 3.27Å; D321-K324 WeakPolarHBondContact OD2-CE 3.29Å; D321-K324 IonicContact OD2-NZ 2.71Å; P322-K324 VanDerWaalsContact C-N 3.34Å
325R97.6Very high97.3Very high10 Ų1043.3 Ų43.34%0.03825%0.249CC..SBendtrans-63.5139.9177.4-165.3179.3-61.6150.17.7110.6E222 A233 I236 M317 V319 Y320 D321E222-R325 IonicContact OE1-CZ 2.77Å; E222-R325 IonicContact OE1-NH1 3.27Å; E222-R325 PolarHBondContact OE1-NH1 3.02Å; E222-R325 IonicContact OE1-NH2 2.84Å; E222-R325 PolarHBondContact OE1-NH2 3.5Å; E222-R325 IonicContact OE2-CZ 3.12Å; E222-R325 IonicContact OE2-NH1 2.89Å; E222-R325 PolarHBondContact OE2-NH1 2.98Å; E222-R325 IonicContact OE2-NH2 2.63Å; E222-R325 PolarHBondContact OE2-NH2 2.62Å; A233-R325 VanDerWaalsContact C-NH1 3.3Å; A233-R325 HydrophobicContact CB-CB 4.28Å; A233-R325 WeakPolarHBondContact O-CD 3.13Å; A233-R325 PolarHBondContact O-NH1 3.34Å; I236-R325 HydrophobicContact CG2-CG 4.46Å; M317-R325 WeakPolarHBondContact O-CD 3.49Å; M317-R325 WeakPolarHBondContact O-CG 3.49Å; V319-R325 HydrophobicContact CB-CB 4.15Å; V319-R325 HydrophobicContact CB-CG 4.36Å; V319-R325 PolarHBondContact O-NE 3.02Å; V319-R325 PolarHBondContact O-NH2 3.01Å; V319-R325 VanDerWaalsContact O-NH2 3.07Å; Y320-R325 PolarHBondContact O-NH2 2.8Å; Y320-R325 VanDerWaalsContact O-NH2 3.12Å; D321-R325 PolarHBondContact O-N 3.48Å
326A98.1Very high97.3Very high12 Ų1239.6 Ų39.610%0.09923%0.232CC..PPolyproline II helixtrans-59.4144.9-178.800000111.5I236 S316 Q330I236-A326 WeakPolarHBondContact CG1-O 3.19Å; I236-A326 WeakPolarHBondContact CG2-O 3.4Å; S316-A326 WeakPolarHBondContact O-CB 3.39Å; S316-A326 PolarHBondContact O-N 2.75Å; A326-Q330 HydrophobicContact CB-CB 4.31Å
327T98.3Very high97.3Very high62 Ų6238.4 Ų38.438%0.3822%0.222SC..PPolyproline II helixtrans-80.8163.5170.162.10000110.8A329 Q330 C331T327-A329 PolarHBondContact O-N 2.97Å; T327-Q330 PolarHBondContact O-N 3.32Å; T327-Q330 VanDerWaalsContact O-N 3.15Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.33Å; T327-Q330 PolarHBondContact OG1-N 3.32Å; T327-Q330 PolarHBondContact OG1-OE1 3.11Å; T327-C331 PolarHBondContact O-N 3.25Å; T327-C331 PolarHBondContact O-SG 3.36Å
328A98.5Very high97.3Very high2 Ų244.5 Ų44.52%0.01725%0.248CC..Hα-helixtrans-56.6-37.9174.700000112.3L165 K166 I236 C331 L332L165-A328 HydrophobicContact CB-CB 3.98Å; K166-A328 HydrophobicContact CB-CB 3.88Å; I236-A328 HydrophobicContact CD1-CB 3.77Å; A328-C331 PolarHBondContact O-N 3.1Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.21Å
329A98.3Very high97.2Very high36 Ų3645.6 Ų45.630%0.29825%0.254SS..Hα-helixtrans-63.7-46.4176.200000112.3K166 T327 C331 L332 D333K166-A329 HydrophobicContact CD-CB 4.22Å; T327-A329 PolarHBondContact O-N 2.97Å; A329-C331 VanDerWaalsContact C-N 3.3Å; A329-C331 PolarHBondContact O-N 2.89Å; A329-L332 PolarHBondContact O-N 2.76Å; A329-D333 PolarHBondContact O-N 3.03Å
330Q98.4Very high97.2Very high116 Ų11647.9 Ų47.954%0.54227%0.269SS..Hα-helixtrans-64.2-35.9176.6-72.4165.3-40.500112.3A326 T327 D333A326-Q330 HydrophobicContact CB-CB 4.31Å; T327-Q330 PolarHBondContact O-N 3.32Å; T327-Q330 VanDerWaalsContact O-N 3.15Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.33Å; T327-Q330 PolarHBondContact OG1-N 3.32Å; T327-Q330 PolarHBondContact OG1-OE1 3.11Å; Q330-D333 PolarHBondContact O-N 3.36Å
331C98.7Very high97.2Very high1 Ų149.8 Ų49.81%0.00728%0.283CS..Hα-helixtrans-63.7-43.9175.3-64.60000111.3L162 L313 T327 A328 A329 D333 S334 F337L162-C331 HydrophobicContact CD1-CB 3.71Å; L162-C331 HydrophobicContact CD2-CB 3.7Å; L162-C331 HydrophobicContact CG-CB 4.32Å; L313-C331 HydrophobicContact CD1-CB 3.97Å; T327-C331 PolarHBondContact O-N 3.25Å; T327-C331 PolarHBondContact O-SG 3.36Å; A328-C331 PolarHBondContact O-N 3.1Å; A329-C331 VanDerWaalsContact C-N 3.3Å; A329-C331 PolarHBondContact O-N 2.89Å; C331-D333 PolarHBondContact O-N 2.97Å; C331-S334 WeakPolarHBondContact O-CB 3.45Å; C331-S334 PolarHBondContact O-N 2.85Å; C331-S334 VanDerWaalsContact O-N 3.09Å; C331-F337 VanDerWaalsContact O-CE2 3.3Å; C331-F337 WeakPolarHBondContact O-CE2 3.11Å
332L98.3Very high97.3Very high24 Ų2455.5 Ų55.513%0.12630%0.304CS..Hα-helixtrans-60.6-33177.2-74.3164.7000113L159 L162 E163 K166 A328 A329 S334L159-L332 HydrophobicContact CD2-CD2 3.71Å; L162-L332 HydrophobicContact CB-CD1 4.41Å; L162-L332 HydrophobicContact CB-CD2 3.6Å; L162-L332 HydrophobicContact CB-CG 3.77Å; L162-L332 HydrophobicContact CD1-CD2 4.41Å; E163-L332 HydrophobicContact CG-CD1 4.29Å; E163-L332 HydrophobicContact CG-CD2 3.93Å; K166-L332 HydrophobicContact CB-CD1 4.06Å; K166-L332 HydrophobicContact CD-CD1 3.5Å; K166-L332 VanDerWaalsContact CD-CD1 3.5Å; K166-L332 HydrophobicContact CG-CD1 4.42Å; A328-L332 WeakPolarHBondContact O-CG 3.39Å; A328-L332 PolarHBondContact O-N 3.21Å; A329-L332 PolarHBondContact O-N 2.76Å; L332-S334 PolarHBondContact O-N 2.98Å
333D97.8Very high97.4Very high111 Ų11156.3 Ų56.359%0.59431%0.31SS*.THydrogen-bonded Turntrans-77-2.7178.7-70.5-32.6000113.7A329 Q330 C331 V335A329-D333 PolarHBondContact O-N 3.03Å; Q330-D333 PolarHBondContact O-N 3.36Å; C331-D333 PolarHBondContact O-N 2.97Å; D333-V335 PolarHBondContact O-N 3.03Å
334S98.3Very high97.5Very high19 Ų1952.9 Ų52.913%0.13328%0.28CS..  trans-56.5136.8-179.7-178.50000112.8C331 L332 Y336 F337C331-S334 WeakPolarHBondContact O-CB 3.45Å; C331-S334 PolarHBondContact O-N 2.85Å; C331-S334 VanDerWaalsContact O-N 3.09Å; L332-S334 PolarHBondContact O-N 2.98Å; S334-Y336 PolarHBondContact O-N 3.37Å; S334-Y336 WeakPolarHBondContact OG-CB 3.34Å; S334-Y336 PolarHBondContact OG-N 2.84Å; S334-F337 PolarHBondContact O-N 2.81Å
335V98Very high97.2Very high76 Ų7654.2 Ų54.246%0.46129%0.286SS..G310 helixtrans-61.4-25.3175.5-176.20000111.6N309 D333 F337 K338 E339N309-V335 HydrophobicContact CB-CB 4.36Å; D333-V335 PolarHBondContact O-N 3.03Å; V335-F337 PolarHBondContact O-N 3.14Å; V335-F337 VanDerWaalsContact O-N 3.16Å; V335-K338 CarbonylContact O-C 3.54Å; V335-K338 WeakPolarHBondContact O-CA 3.3Å; V335-K338 PolarHBondContact O-N 3.42Å; V335-E339 PolarHBondContact O-N 2.83Å
336Y98.3Very high96.9Very high1 Ų155.7 Ų55.70%0.00429%0.293CS..G310 helixtrans-54.2-35.3177177.8-118.2000113.4E151 K155 L306 L313 S334 K338 E339E151-Y336 WeakPolarHBondContact CG-OH 3.38Å; E151-Y336 WeakPolarHBondContact OE1-CE2 3.37Å; E151-Y336 PolarHBondContact OE1-OH 3.12Å; K155-Y336 HydrophobicContact CD-CE1 4.2Å; K155-Y336 WeakPolarHBondContact CE-O 3.45Å; K155-Y336 HydrophobicContact CG-CD1 4.29Å; K155-Y336 HydrophobicContact CG-CE1 3.62Å; K155-Y336 PolarHBondContact NZ-O 3.47Å; L306-Y336 HydrophobicContact CD1-CE2 3.67Å; L313-Y336 HydrophobicContact CD2-CD1 3.63Å; L313-Y336 HydrophobicContact CD2-CE1 4.36Å; L313-Y336 HydrophobicContact CD2-CG 4.35Å; S334-Y336 PolarHBondContact O-N 3.37Å; S334-Y336 WeakPolarHBondContact OG-CB 3.34Å; S334-Y336 PolarHBondContact OG-N 2.84Å; Y336-K338 VanDerWaalsContact C-N 3.28Å; Y336-K338 PolarHBondContact O-N 3.41Å; Y336-E339 WeakPolarHBondContact CD2-OE1 3.38Å; Y336-E339 WeakPolarHBondContact O-CG 3.49Å
337F98Very high96.3Very high12 Ų1260.9 Ų60.95%0.05332%0.319CS..G310 helixtrans-80.7-9.6178.4-60.6-59.9000113.4K155 A158 L159 L162 L313 C331 S334 V335 P343K155-F337 HydrophobicContact CB-CD1 4.14Å; K155-F337 HydrophobicContact CB-CE1 4.39Å; K155-F337 HydrophobicContact CG-CD1 4.09Å; K155-F337 HydrophobicContact CG-CE1 4.32Å; A158-F337 HydrophobicContact CB-CE1 3.98Å; A158-F337 HydrophobicContact CB-CZ 4.13Å; L159-F337 HydrophobicContact CD1-CB 4.44Å; L159-F337 HydrophobicContact CD1-CD1 4.17Å; L159-F337 HydrophobicContact CD1-CG 4.42Å; L159-F337 HydrophobicContact CD2-CB 4.03Å; L159-F337 HydrophobicContact CD2-CD1 3.77Å; L159-F337 HydrophobicContact CD2-CD2 3.69Å; L159-F337 HydrophobicContact CD2-CE1 4.11Å; L159-F337 HydrophobicContact CD2-CE2 4.03Å; L159-F337 HydrophobicContact CD2-CG 3.55Å; L159-F337 HydrophobicContact CD2-CZ 4.23Å; L159-F337 HydrophobicContact CG-CD1 3.7Å; L159-F337 HydrophobicContact CG-CE1 3.96Å; L159-F337 HydrophobicContact CG-CG 4.01Å; L159-F337 HydrophobicContact CG-CZ 4.47Å; L162-F337 HydrophobicContact CD1-CE2 3.82Å; L162-F337 HydrophobicContact CD1-CZ 3.79Å; L313-F337 HydrophobicContact CD2-CE1 4.46Å; L313-F337 HydrophobicContact CD2-CE2 3.78Å; L313-F337 HydrophobicContact CD2-CZ 3.63Å; C331-F337 VanDerWaalsContact O-CE2 3.3Å; C331-F337 WeakPolarHBondContact O-CE2 3.11Å; S334-F337 PolarHBondContact O-N 2.81Å; V335-F337 PolarHBondContact O-N 3.14Å; V335-F337 VanDerWaalsContact O-N 3.16Å; F337-P343 VanDerWaalsContact O-CD 3.31Å; F337-P343 WeakPolarHBondContact O-CD 3.15Å
338K97Very high95.7Very high130 Ų13063.4 Ų63.457%0.56533%0.33SS*.G310 helixtrans-109.35.2-177.2-59.5174.9-175.9165.20112.7V335 Y336 Y342V335-K338 CarbonylContact O-C 3.54Å; V335-K338 WeakPolarHBondContact O-CA 3.3Å; V335-K338 PolarHBondContact O-N 3.42Å; Y336-K338 VanDerWaalsContact C-N 3.28Å; Y336-K338 PolarHBondContact O-N 3.41Å; K338-Y342 VanDerWaalsContact O-CE1 3.28Å; K338-Y342 WeakPolarHBondContact O-CE1 3.48Å
339E96.4Very high95.2Very high33 Ų3363.8 Ų63.815%0.15433%0.331CS..SBendtrans-114.6153.9176.867.5-178.6-175.700111.8K155 S307 N309 V335 Y336 P341K155-E339 PolarHBondContact NZ-O 3.1Å; K155-E339 VanDerWaalsContact NZ-O 3.12Å; S307-E339 WeakPolarHBondContact CB-OE1 3.33Å; S307-E339 PolarHBondContact OG-OE1 3.29Å; N309-E339 PolarHBondContact ND2-OE2 3.44Å; V335-E339 PolarHBondContact O-N 2.83Å; Y336-E339 WeakPolarHBondContact CD2-OE1 3.38Å; Y336-E339 WeakPolarHBondContact O-CG 3.49Å; E339-P341 CarbonylContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-O 3.12Å
340P96.2Very high94.2Very high89 Ų8964 Ų6458%0.57833%0.33SS*.SBendtrans-60.7144.8172.1-21.432.4000112.7Y342P340-Y342 HydrophobicContact CB-CE2 4.38Å; P340-Y342 HydrophobicContact CG-CD2 4.48Å; P340-Y342 HydrophobicContact CG-CE2 3.78Å
341P96.1Very high92.9Very high54 Ų5463.4 Ų63.435%0.35133%0.334SS..SBendcis-67.7131.5-10.528.4-33.2000110.5E151 K155 E339E151-P341 HydrophobicContact CB-CG 3.72Å; E151-P341 HydrophobicContact CG-CG 3.88Å; K155-P341 WeakPolarHBondContact CD-O 3.48Å; K155-P341 WeakPolarHBondContact CE-O 3.4Å; K155-P341 PolarHBondContact NZ-O 3.33Å; E339-P341 CarbonylContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-C 3.32Å; E339-P341 VanDerWaalsContact O-O 3.12Å
342Y97Very high91.5Very high138 Ų13865.1 Ų65.154%0.54134%0.341SS..PPolyproline II helixtrans-68.1153.4179.4-65-72.5000110.9S152 K338 P340 C344S152-Y342 WeakPolarHBondContact CA-O 3.36Å; S152-Y342 VanDerWaalsContact CB-O 3.27Å; S152-Y342 WeakPolarHBondContact CB-O 3.32Å; S152-Y342 PolarHBondContact OG-O 3.5Å; K338-Y342 VanDerWaalsContact O-CE1 3.28Å; K338-Y342 WeakPolarHBondContact O-CE1 3.48Å; P340-Y342 HydrophobicContact CB-CE2 4.38Å; P340-Y342 HydrophobicContact CG-CD2 4.48Å; P340-Y342 HydrophobicContact CG-CE2 3.78Å; Y342-C344 PolarHBondContact O-N 3.38Å
343P96.7Very high89.6Confident40 Ų4068.7 Ų68.726%0.2637%0.366SS..PPolyproline II helixtrans-54.7131.9170.623.5-33.9000110.6S152 K155 C156 L159 F337S152-P343 WeakPolarHBondContact O-CA 3.45Å; K155-P343 HydrophobicContact CB-CB 3.93Å; C156-P343 HydrophobicContact CB-CB 4.48Å; L159-P343 HydrophobicContact CD1-CB 3.73Å; L159-P343 HydrophobicContact CD1-CG 3.75Å; F337-P343 VanDerWaalsContact O-CD 3.31Å; F337-P343 WeakPolarHBondContact O-CD 3.15Å
344C94.5Very high87.5Confident22 Ų2266.4 Ų66.415%0.14935%0.352CS..PPolyproline II helixtrans-69.2158173.871.50000109.9S152 C156 Y342 L348S152-C344 PolarHBondContact O-N 2.75Å; S152-C344 VanDerWaalsContact O-N 3.13Å; S152-C344 WeakPolarHBondContact OG-CB 3.45Å; S152-C344 PolarHBondContact OG-N 3.23Å; C156-C344 WeakPolarHBondContact CB-O 3.48Å; C156-C344 PolarHBondContact SG-O 2.9Å; C156-C344 VanDerWaalsContact SG-O 3.39Å; Y342-C344 PolarHBondContact O-N 3.38Å; C344-L348 HydrophobicContact CB-CB 4.47Å
345K91.4Very high85.1Confident150 Ų15068.5 Ų68.565%0.65236%0.36SS*.PPolyproline II helixtrans-68.1150.2167.6-64.2-175.6178.2-179.70109.5N347 L348K345-N347 VanDerWaalsContact C-N 3.3Å; K345-N347 WeakPolarHBondContact CB-OD1 3.12Å; K345-N347 PolarHBondContact O-N 3.36Å; K345-L348 HydrophobicContact CB-CD1 4.15Å; K345-L348 HydrophobicContact CB-CG 4.22Å; K345-L348 WeakPolarHBondContact O-CB 3.46Å; K345-L348 PolarHBondContact O-N 2.98Å
346E90.2Very high82.5Confident42 Ų4269.3 Ų69.320%0.19636%0.355CS..G310 helixtrans-58.3-42.2-178.3-64.9168.6-156.600112.3R110 D188 L348 M349R110-E346 IonicContact CZ-OE1 3.83Å; R110-E346 IonicContact CZ-OE2 3.99Å; R110-E346 IonicContact NH1-OE1 3.77Å; R110-E346 PolarHBondContact NH1-OE1 3.39Å; R110-E346 IonicContact NH2-OE1 3.66Å; R110-E346 PolarHBondContact NH2-OE1 3.45Å; R110-E346 IonicContact NH2-OE2 2.72Å; R110-E346 PolarHBondContact NH2-OE2 3.37Å; D188-E346 CarbonylContact O-C 3.57Å; E346-L348 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact O-N 3.08Å; E346-M349 WeakPolarHBondContact O-CB 3.3Å; E346-M349 VanDerWaalsContact O-CG 3.26Å; E346-M349 WeakPolarHBondContact O-CG 3.34Å; E346-M349 PolarHBondContact O-N 2.97Å
347N85Confident79.5Confident121 Ų12174 Ų7465%0.64738%0.38SS*.G310 helixtrans-67.8-7.7177.371.4-30.6000114.4K345K345-N347 VanDerWaalsContact C-N 3.3Å; K345-N347 WeakPolarHBondContact CB-OD1 3.12Å; K345-N347 PolarHBondContact O-N 3.36Å
348L86.5Confident76.7Confident115 Ų11578 Ų7860%0.60240%0.401SS*.G310 helixtrans-99.11.2172.1-58.6176.6000111.9C344 K345 E346C344-L348 HydrophobicContact CB-CB 4.47Å; K345-L348 HydrophobicContact CB-CD1 4.15Å; K345-L348 HydrophobicContact CB-CG 4.22Å; K345-L348 WeakPolarHBondContact O-CB 3.46Å; K345-L348 PolarHBondContact O-N 2.98Å; E346-L348 PolarHBondContact O-N 2.83Å; E346-L348 VanDerWaalsContact O-N 3.08Å
349M87.7Confident74Confident9 Ų980 Ų804%0.04441%0.41CS..SBendtrans-62.5140.8170.1-71.7-65.5-68.700109.4F149 Q153 C156 L157 E346 T351F149-M349 HydrophobicContact CD1-CE 4.18Å; F149-M349 HydrophobicContact CE1-CE 3.67Å; F149-M349 HydrophobicContact CZ-CE 4.36Å; Q153-M349 HydrophobicContact CB-CE 4.23Å; Q153-M349 HydrophobicContact CB-SD 3.83Å; Q153-M349 HydrophobicContact CG-SD 3.84Å; C156-M349 HydrophobicContact CB-SD 4.32Å; L157-M349 HydrophobicContact CD1-CE 3.92Å; L157-M349 HydrophobicContact CD2-CE 3.75Å; L157-M349 HydrophobicContact CG-CE 3.72Å; E346-M349 WeakPolarHBondContact O-CB 3.3Å; E346-M349 VanDerWaalsContact O-CG 3.26Å; E346-M349 WeakPolarHBondContact O-CG 3.34Å; E346-M349 PolarHBondContact O-N 2.97Å; M349-T351 PolarHBondContact O-N 3.28Å
350P77.7Confident71.3Confident42 Ų4286.2 Ų86.227%0.27343%0.432SS..PPolyproline II helixtrans-59.5128.9-17918-25.5000109.5F149 F352F149-P350 HydrophobicContact CD1-CG 4.45Å; F149-P350 HydrophobicContact CE1-CG 4.02Å; P350-F352 HydrophobicContact CB-CE1 4.28Å; P350-F352 HydrophobicContact CB-CE2 3.88Å; P350-F352 HydrophobicContact CB-CZ 3.72Å; P350-F352 HydrophobicContact CG-CE1 4.4Å; P350-F352 HydrophobicContact CG-CE2 3.59Å; P350-F352 HydrophobicContact CG-CZ 3.44Å; P350-F352 VanDerWaalsContact CG-CZ 3.44Å; P350-F352 WeakPolarHBondContact O-CD2 2.92Å; P350-F352 WeakPolarHBondContact O-CE2 3.25Å; P350-F352 PolarHBondContact O-N 3.28Å
351T72.2Confident68.5Low103 Ų10391 Ų9163%0.63244%0.438SS*.PPolyproline II helixtrans-80.6119.3172.9-34.10000108.1M349M349-T351 PolarHBondContact O-N 3.28Å
352F68.3Low65.7Low36 Ų3695.7 Ų95.716%0.15845%0.454CS..  trans-96.9113.4177.9-60.2-84.3000108.6L141 M145 F149 P350 Q354L141-F352 HydrophobicContact CD1-CB 4.01Å; L141-F352 HydrophobicContact CD1-CD1 3.55Å; L141-F352 HydrophobicContact CD1-CD2 3.39Å; L141-F352 HydrophobicContact CD1-CE1 3.74Å; L141-F352 HydrophobicContact CD1-CE2 3.59Å; L141-F352 HydrophobicContact CD1-CG 3.34Å; L141-F352 HydrophobicContact CD1-CZ 3.75Å; L141-F352 HydrophobicContact CD2-CD2 3.87Å; L141-F352 HydrophobicContact CD2-CE2 3.63Å; L141-F352 HydrophobicContact CD2-CZ 4.25Å; L141-F352 HydrophobicContact CG-CD2 4.25Å; L141-F352 HydrophobicContact CG-CE2 4.1Å; L141-F352 HydrophobicContact CG-CZ 4.31Å; M145-F352 HydrophobicContact CB-CE1 4.38Å; M145-F352 HydrophobicContact CE-CZ 4.49Å; F149-F352 HydrophobicContact CE1-CE2 4.18Å; F149-F352 HydrophobicContact CE1-CZ 4.06Å; F149-F352 HydrophobicContact CZ-CE2 4.28Å; F149-F352 HydrophobicContact CZ-CZ 4.26Å; P350-F352 HydrophobicContact CB-CE1 4.28Å; P350-F352 HydrophobicContact CB-CE2 3.88Å; P350-F352 HydrophobicContact CB-CZ 3.72Å; P350-F352 HydrophobicContact CG-CE1 4.4Å; P350-F352 HydrophobicContact CG-CE2 3.59Å; P350-F352 HydrophobicContact CG-CZ 3.44Å; P350-F352 VanDerWaalsContact CG-CZ 3.44Å; P350-F352 WeakPolarHBondContact O-CD2 2.92Å; P350-F352 WeakPolarHBondContact O-CE2 3.25Å; P350-F352 PolarHBondContact O-N 3.28Å; F352-Q354 PolarHBondContact O-N 3.21Å
353P58.5Low63.1Low100 Ų10095.2 Ų95.265%0.64946%0.456SS*.  trans-53.5135.8175.321.7-30.7000108.1H355P353-H355 PolarHBondContact O-CE1 2.68Å; P353-H355 PolarHBondContact O-N 3.08Å; P353-H355 PolarHBondContact O-ND1 2.54Å
354Q53.2Low60.4Low63 Ų6399.3 Ų99.329%0.29447%0.472SS..  trans-52.2103-172.8-69.2-179.40.400111F352 R356 N357F352-Q354 PolarHBondContact O-N 3.21Å; Q354-R356 PolarHBondContact O-N 3.47Å; Q354-N357 PolarHBondContact O-N 2.98Å
355H48.6Very low57.8Low63 Ų63102.4 Ų102.429%0.29249%0.49SS..G310 helixtrans-67.3-1.6-173.3-80.351.9000112.7P353P353-H355 PolarHBondContact O-CE1 2.68Å; P353-H355 PolarHBondContact O-N 3.08Å; P353-H355 PolarHBondContact O-ND1 2.54Å
356R43.1Very low55.3Low93 Ų9398.5 Ų98.535%0.35148%0.482SS..G310 helixtrans-84-16.4-176.6-68.1-178.2174.4175.7-4.1114.6I59 D137 Q354I59-R356 VanDerWaalsContact O-CZ 3.31Å; I59-R356 PolarHBondContact O-NH1 3.22Å; I59-R356 PolarHBondContact O-NH2 3.19Å; D137-R356 IonicContact OD2-NH2 3.65Å; D137-R356 PolarHBondContact OD2-NH2 3.04Å; Q354-R356 PolarHBondContact O-N 3.47Å
357N34.9Very low53Low100 Ų100100.9 Ų100.954%0.53550%0.499SS..G310 helixtrans-84.7-9177.9-74.7-32.6000114.5Q354Q354-N357 PolarHBondContact O-N 2.98Å
358L39.2Very low50.8Low95 Ų9599.2 Ų99.250%0.49750%0.497SS..Hα-helixtrans-73.2-29.5-179.5-86.6147.9000113.5R360 R361 F362L358-R360 VanDerWaalsContact C-N 3.27Å; L358-R360 PolarHBondContact O-N 2.93Å; L358-R361 PolarHBondContact O-N 3.43Å; L358-R361 VanDerWaalsContact O-N 3.1Å; L358-F362 PolarHBondContact O-N 2.8Å
359K40.5Very low48.5Very low173 Ų173102 Ų10275%0.75250%0.504SS*.Hα-helixtrans-59.8-35.1175.3-96.5-177175.2178.90112.7R361 F362 E363K359-R361 VanDerWaalsContact C-N 3.34Å; K359-R361 PolarHBondContact O-N 3.15Å; K359-F362 PolarHBondContact O-N 3.31Å; K359-E363 PolarHBondContact O-N 3.49Å
360R39.7Very low46.1Very low162 Ų162112 Ų11261%0.61154%0.542SS*.Hα-helixtrans-67.7-29.1176.4-82.7-174.9-175.7170.22.1113.8L358 Q364L358-R360 VanDerWaalsContact C-N 3.27Å; L358-R360 PolarHBondContact O-N 2.93Å; R360-Q364 WeakPolarHBondContact O-CB 3.19Å; R360-Q364 WeakPolarHBondContact O-CG 3.47Å; R360-Q364 PolarHBondContact O-N 3.45Å; R360-Q364 VanDerWaalsContact O-N 3.15Å
361R36.6Very low44.3Very low189 Ų189120.7 Ų120.771%0.71357%0.569SS**Hα-helixtrans-74-32178.7-89.2-174.7170.8-175.1-1.9113L358 K359 T365L358-R361 PolarHBondContact O-N 3.43Å; L358-R361 VanDerWaalsContact O-N 3.1Å; K359-R361 VanDerWaalsContact C-N 3.34Å; K359-R361 PolarHBondContact O-N 3.15Å; R361-T365 WeakPolarHBondContact O-CG2 3.36Å; R361-T365 PolarHBondContact O-N 2.78Å; R361-T365 PolarHBondContact O-OG1 3.36Å
362F38.7Very low42.8Very low154 Ų154124.9 Ų124.968%0.67558%0.579SS**Hα-helixtrans-76.3-30.6175.6-82.3-80.7000113.3L358 K359 T365 S366L358-F362 PolarHBondContact O-N 2.8Å; K359-F362 PolarHBondContact O-N 3.31Å; F362-T365 PolarHBondContact O-OG1 3.21Å; F362-S366 PolarHBondContact O-N 3.24Å; F362-S366 PolarHBondContact O-OG 3.42Å
363E41.7Very low41.3Very low128 Ų128134.2 Ų134.260%0.59861%0.613SS**Hα-helixtrans-76.8-31174.9-73.3175.9171.300113K359 S366 T367K359-E363 PolarHBondContact O-N 3.49Å; E363-S366 WeakPolarHBondContact CA-OG 3.46Å; E363-S366 PolarHBondContact O-OG 3.14Å; E363-T367 PolarHBondContact O-N 3.32Å; E363-T367 PolarHBondContact O-OG1 3.31Å
364Q39.2Very low40.2Very low126 Ų126140.6 Ų140.659%0.58962%0.624SS**Hα-helixtrans-77.9-27.9175.7-73.5179.9-11.100113.4R360 T367 S368R360-Q364 WeakPolarHBondContact O-CB 3.19Å; R360-Q364 WeakPolarHBondContact O-CG 3.47Å; R360-Q364 PolarHBondContact O-N 3.45Å; R360-Q364 VanDerWaalsContact O-N 3.15Å; Q364-T367 WeakPolarHBondContact CA-OG1 3.49Å; Q364-T367 PolarHBondContact O-OG1 3.27Å; Q364-S368 PolarHBondContact O-N 2.86Å; Q364-S368 PolarHBondContact O-OG 3.33Å
365T40.1Very low39.5Very low87 Ų87150.3 Ų150.353%0.53467%0.67SS.*Hα-helixtrans-80.6-26.2176.343.80000113.1R361 F362R361-T365 WeakPolarHBondContact O-CG2 3.36Å; R361-T365 PolarHBondContact O-N 2.78Å; R361-T365 PolarHBondContact O-OG1 3.36Å; F362-T365 PolarHBondContact O-OG1 3.21Å
366S39.9Very low39.1Very low67 Ų67154.7 Ų154.747%0.46969%0.688SS.*Hα-helixtrans-79.8-27.3175.150.40000113.5F362 E363F362-S366 PolarHBondContact O-N 3.24Å; F362-S366 PolarHBondContact O-OG 3.42Å; E363-S366 WeakPolarHBondContact CA-OG 3.46Å; E363-S366 PolarHBondContact O-OG 3.14Å
367T41Very low38.9Very low92 Ų92157.9 Ų157.956%0.56471%0.706SS**Hα-helixtrans-78.4-31.3175.2400000113.2E363 Q364E363-T367 PolarHBondContact O-N 3.32Å; E363-T367 PolarHBondContact O-OG1 3.31Å; Q364-T367 WeakPolarHBondContact CA-OG1 3.49Å; Q364-T367 PolarHBondContact O-OG1 3.27Å
368S40.1Very low39.1Very low87 Ų87161.2 Ų161.261%0.60872%0.716SS**Hα-helixtrans-74.1-26.1175.5-650000114.2Q364Q364-S368 PolarHBondContact O-N 2.86Å; Q364-S368 PolarHBondContact O-OG 3.33Å
369K38.1Very low39.1Very low172 Ų172165.1 Ų165.175%0.74873%0.729SS**Hα-helixtrans-80.8-17.7175.7-76.5-174.9177.7-179.50114.3
370R37.2Very low39Very low220 Ų220164.6 Ų164.683%0.8373%0.727SS**Hα-helixtrans-83.2-13.7176.9-86.9-176.8167.2-178.9-2.5114.2
371R38.8Very low38.9Very low224 Ų224164.7 Ų164.785%0.84574%0.735SS**THydrogen-bonded Turntrans-84.7-7.1177.1-97.6-178.3172.9178.1-2.4115.1
372F40.4Very low39.1Very low192 Ų192163 Ų16384%0.84274%0.736SS**THydrogen-bonded Turntrans-107.712.9179.5-106.2-84.2000114.6
373R38.1Very low39.1Very low231 Ų231163.7 Ų163.787%0.87274%0.741SS**SBendtrans-122.719.6178.4-97.5-173.3173.2-171.5-1.9114.4
374R36.1Very low38.9Very low235 Ų235166.7 Ų166.789%0.88775%0.753SS**  trans-138.672168.9-74.2-172173.9-173.4-2.6109
375Q38.3Very low38.9Very low267 Ų267170.4 Ų170.4100%1.24877%0.768SS**  trans-136.80154.4-87.7-170.9-600107.3

Retrieved 375 of 375 residues in 812.8 ms (Link to these results)