A0A087XTK6_POEFO Loading...

Dehydrogenase/reductase (SDR family) member 4

AlphaFold DB , UniProt , Accession A0A087XTK6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 273 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.2Very low40.8Very low235 Ų235177.1 Ų177.1100%1.15886%0.862SS**  066.20-160.9-178.8-15700109.6
2F36.4Very low40.7Very low212 Ų212173.9 Ų173.993%0.9385%0.852SS**  trans-134.599.2175-85.1-82.2000108.4
3R39.3Very low40.7Very low256 Ų256169.5 Ų169.597%0.96685%0.845SS**  trans-109.8120.6173.1-90-175166.3-171.1-3108.4
4G42Very low41.3Very low68 Ų68166.1 Ų166.170%0.70184%0.838SS**  trans76.891.7131.300000118.5
5L42.3Very low41.6Very low188 Ų188164.3 Ų164.398%0.98483%0.831SS**  trans-133.389140.6-103.2104000109
6S42.6Very low42.1Very low122 Ų122160.6 Ų160.685%0.85382%0.819SS**  trans-131.688.8161540000107.7
7R43.3Very low42.2Very low228 Ų228161.2 Ų161.286%0.8682%0.818SS**  trans-137.3126.2172-125.3-175.7177.5-178.6-1.1109.8
8F40.7Very low42.7Very low139 Ų139159.7 Ų159.761%0.6180%0.801SS**  trans78.976.8164.2-75.9-90000118.7R10F8-R10 HydrophobicContact CD1-CB 4.44Å; F8-R10 HydrophobicContact CD1-CG 4.12Å; F8-R10 HydrophobicContact CE1-CG 4.11Å
9L38.2Very low42.9Very low169 Ų169163.4 Ų163.489%0.88580%0.804SS**  trans-112.381.8133-74.5168.7000107.7T11L9-T11 VanDerWaalsContact C-N 3.33Å; L9-T11 PolarHBondContact O-N 2.85Å
10R39.5Very low43Very low209 Ų209164.4 Ų164.479%0.78981%0.809SS**  trans-78.794.2157.9-83.3-169.4177.6-166.6-2.9106F8 N12F8-R10 HydrophobicContact CD1-CB 4.44Å; F8-R10 HydrophobicContact CD1-CG 4.12Å; F8-R10 HydrophobicContact CE1-CG 4.11Å; R10-N12 PolarHBondContact O-N 2.94Å
11T43.8Very low43.4Very low122 Ų122159 Ų15975%0.74879%0.788SS**  trans-66.7109163.543.50000107.1L9L9-T11 VanDerWaalsContact C-N 3.33Å; L9-T11 PolarHBondContact O-N 2.85Å
12N39.4Very low44.1Very low139 Ų139156.1 Ų156.174%0.74377%0.771SS**  trans-63.1126.2161.1-87.8-19.5000106.8R10 V14R10-N12 PolarHBondContact O-N 2.94Å; N12-V14 PolarHBondContact O-N 3.25Å
13P40.6Very low46Very low116 Ų116147.7 Ų147.775%0.75374%0.738SS**  trans-65.211116826.4-28.9000106.7N15P13-N15 PolarHBondContact O-N 3.16Å
14V48.9Very low48.4Very low123 Ų123137.8 Ų137.875%0.74571%0.708SS**  trans-66.489.9168.6175.70000106.1N12 V16N12-V14 PolarHBondContact O-N 3.25Å; V14-V16 HydrophobicContact CG1-CB 4.18Å; V14-V16 HydrophobicContact CG1-CG2 3.36Å; V14-V16 PolarHBondContact O-N 3.09Å
15N46Very low51Low138 Ų138134.8 Ų134.874%0.73868%0.676SS**  trans-77.772.7174.6-159.24.6000108.2P13 Q17P13-N15 PolarHBondContact O-N 3.16Å; N15-Q17 VanDerWaalsContact C-N 3.34Å; N15-Q17 PolarHBondContact O-N 3.32Å
16V49.1Very low53.6Low105 Ų105131.3 Ų131.364%0.63666%0.658SS**  trans-91.680.9169.2174.20000106.3V14 R18V14-V16 HydrophobicContact CG1-CB 4.18Å; V14-V16 HydrophobicContact CG1-CG2 3.36Å; V14-V16 PolarHBondContact O-N 3.09Å; V16-R18 HydrophobicContact CG1-CB 3.78Å; V16-R18 PolarHBondContact O-N 2.95Å
17Q44.3Very low56.1Low172 Ų172127.6 Ų127.680%0.80464%0.639SS**  trans-67.376.2151.5-88-179.2-17.700107N15 R19N15-Q17 VanDerWaalsContact C-N 3.34Å; N15-Q17 PolarHBondContact O-N 3.32Å; Q17-R19 PolarHBondContact O-N 3.34Å
18R50.6Low58.8Low134 Ų134120.7 Ų120.751%0.50662%0.616SS.*  trans-65.895.7160.7-171.7173.9170.6-176.3-6104.2V16 M20 D253 S256V16-R18 HydrophobicContact CG1-CB 3.78Å; V16-R18 PolarHBondContact O-N 2.95Å; R18-M20 PolarHBondContact O-N 3.47Å; R18-M20 VanDerWaalsContact O-N 3.09Å; R18-D253 PolarHBondContact NH2-O 3.11Å; R18-S256 PolarHBondContact NH1-OG 2.88Å
19R47.4Very low61.5Low229 Ų229114.4 Ų114.486%0.86459%0.589SS**  trans-44.9124.4161-85.5-178170-176-3.1104.8Q17 S21Q17-R19 PolarHBondContact O-N 3.34Å; R19-S21 PolarHBondContact O-N 3.42Å
20M44.9Very low64.4Low183 Ų183106.3 Ų106.390%0.90155%0.546SS*.  trans-62.188.1170.6-64.9-150.6-51.600106R18 H22R18-M20 PolarHBondContact O-N 3.47Å; R18-M20 VanDerWaalsContact O-N 3.09Å; M20-H22 PolarHBondContact O-N 3.37Å
21S51.1Low67.2Low52 Ų5296.4 Ų96.436%0.36451%0.509SS..  trans-61127.1177.850.40000105.2R19 S23R19-S21 PolarHBondContact O-N 3.42Å; S21-S23 PolarHBondContact O-N 3.49Å
22H56.8Low69.9Low174 Ų17490.6 Ų90.681%0.80647%0.474SS*.  trans-46.4139.2163-70.2-8.5000108.3M20 S24M20-H22 PolarHBondContact O-N 3.37Å; H22-S24 PolarHBondContact O-N 3.06Å
23S75.2Confident72.7Confident35 Ų3584 Ų8425%0.24544%0.438CS..SBendtrans-56.636.6-178.362.50000115.9S21 R50 D254S21-S23 PolarHBondContact O-N 3.49Å; S23-R50 VanDerWaalsContact CB-NH1 3.31Å; S23-R50 WeakPolarHBondContact O-CD 3.44Å; S23-R50 PolarHBondContact OG-NH1 2.91Å; S23-D254 WeakPolarHBondContact CB-OD2 3.16Å
24S89.9Confident75.4Confident48 Ų4880.3 Ų80.334%0.33642%0.418SS..  trans-63.7142.6-178.4170.90000110.5H22 D26H22-S24 PolarHBondContact O-N 3.06Å; S24-D26 WeakPolarHBondContact OG-CB 3.41Å; S24-D26 PolarHBondContact OG-N 3.28Å; S24-D26 PolarHBondContact OG-OD2 2.94Å
25L96.9Very high77.8Confident6 Ų674.5 Ų74.53%0.03138%0.382CS..  trans-118.725.6172.8-58.4176.6000109.5G27 K28 L47 R50 G51 A52 I107L25-G27 PolarHBondContact O-N 2.75Å; L25-K28 HydrophobicContact CB-CB 4.31Å; L25-K28 HydrophobicContact CB-CG 4.27Å; L25-K28 VanDerWaalsContact O-CB 3.25Å; L25-K28 WeakPolarHBondContact O-CB 3.31Å; L25-K28 WeakPolarHBondContact O-CG 3.4Å; L25-K28 PolarHBondContact O-N 2.92Å; L25-L47 HydrophobicContact CD1-CB 4.41Å; L25-L47 HydrophobicContact CD1-CD2 3.43Å; L25-L47 VanDerWaalsContact CD1-CD2 3.43Å; L25-R50 HydrophobicContact CB-CB 4.25Å; L25-R50 HydrophobicContact CD1-CB 4.06Å; L25-R50 HydrophobicContact CG-CB 4.01Å; L25-R50 PolarHBondContact N-O 2.86Å; L25-G51 CarbonylContact O-C 3.54Å; L25-A52 HydrophobicContact CB-CB 3.91Å; L25-A52 HydrophobicContact CD1-CB 4.43Å; L25-A52 WeakPolarHBondContact O-CA 3.49Å; L25-A52 PolarHBondContact O-N 3.22Å; L25-I107 HydrophobicContact CD1-CD1 4.28Å; L25-I107 HydrophobicContact CD2-CD1 4.36Å
26D96.2Very high80.3Confident114 Ų11469.1 Ų69.161%0.6135%0.354SS*.THydrogen-bonded Turntrans-55.7135.6176.4-71.1-42.8000110.7S24 K28 G51S24-D26 WeakPolarHBondContact OG-CB 3.41Å; S24-D26 PolarHBondContact OG-N 3.28Å; S24-D26 PolarHBondContact OG-OD2 2.94Å; D26-K28 PolarHBondContact O-N 3.41Å; D26-G51 VanDerWaalsContact OD1-CA 3.29Å; D26-G51 WeakPolarHBondContact OD1-CA 3.35Å
27G95.8Very high82.6Confident44 Ų4468.1 Ų68.145%0.45435%0.346SS..THydrogen-bonded Turntrans71.9-0.3-17700000115.5L25 R154L25-G27 PolarHBondContact O-N 2.75Å; G27-R154 PolarHBondContact O-NH2 3.12Å
28K98.5Very high85.2Confident83 Ų8360.6 Ų60.636%0.36131%0.314SS..  trans-85.9145.8173.5-55.9-61.2-176.8179.20111.7L25 D26 A52 H53 D106 I107L25-K28 HydrophobicContact CB-CB 4.31Å; L25-K28 HydrophobicContact CB-CG 4.27Å; L25-K28 VanDerWaalsContact O-CB 3.25Å; L25-K28 WeakPolarHBondContact O-CB 3.31Å; L25-K28 WeakPolarHBondContact O-CG 3.4Å; L25-K28 PolarHBondContact O-N 2.92Å; D26-K28 PolarHBondContact O-N 3.41Å; K28-A52 CarbonylContact O-C 3.54Å; K28-A52 WeakPolarHBondContact O-CA 3.48Å; K28-H53 PolarHBondContact O-N 3.32Å; K28-D106 WeakPolarHBondContact CA-OD2 3.16Å; K28-D106 HydrophobicContact CB-CB 4.16Å; K28-D106 HydrophobicContact CD-CB 3.81Å; K28-I107 HydrophobicContact CB-CD1 4.27Å
29V98.9Very high87.5Confident7 Ų755.4 Ų55.44%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-111.8126.4173.1-176.30000110H53 V55 T98 C102 G104 D106 I107V29-H53 WeakPolarHBondContact CA-O 3.24Å; V29-H53 HydrophobicContact CG2-CB 4.48Å; V29-V55 HydrophobicContact CG1-CG2 4.32Å; V29-T98 HydrophobicContact CG1-CG2 3.59Å; V29-C102 HydrophobicContact CB-CB 4.36Å; V29-C102 HydrophobicContact CG1-CB 3.6Å; V29-C102 HydrophobicContact CG2-CB 3.8Å; V29-G104 VanDerWaalsContact CB-O 3.31Å; V29-G104 WeakPolarHBondContact CB-O 3.3Å; V29-G104 VanDerWaalsContact CG1-O 3.26Å; V29-G104 WeakPolarHBondContact CG1-O 3.49Å; V29-D106 PolarHBondContact N-OD2 2.86Å; V29-D106 PolarHBondContact O-N 3.48Å; V29-I107 PolarHBondContact O-N 3Å
30A98.9Very high89.9Confident0 Ų044.6 Ų44.60%026%0.255CS..EExtended strand (participates in β ladder)trans-123.1117.2-174.700000112.8L47 A52 H53 V54 V55 I107A30-L47 HydrophobicContact CB-CD1 3.98Å; A30-A52 HydrophobicContact CB-CB 4.44Å; A30-H53 PolarHBondContact N-O 3.08Å; A30-V54 HydrophobicContact CB-CG1 4.38Å; A30-V54 CarbonylContact O-C 3.51Å; A30-V54 WeakPolarHBondContact O-CA 3.45Å; A30-V55 PolarHBondContact O-N 3.41Å; A30-I107 CarbonylContact C-O 3.58Å; A30-I107 WeakPolarHBondContact CA-O 3.35Å; A30-I107 HydrophobicContact CB-CB 3.71Å; A30-I107 HydrophobicContact CB-CD1 4.16Å; A30-I107 HydrophobicContact CB-CG1 4.49Å; A30-I107 HydrophobicContact CB-CG2 3.99Å
31I98.9Very high92.5Very high1 Ų136.9 Ų36.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-84.1127.3168.2-63.1177000108.7T33 V55 L94 V95 T98 I105 I107 L108 V109 V147I31-T33 HydrophobicContact CG2-CG2 4.39Å; I31-V55 HydrophobicContact CG1-CB 4.27Å; I31-L94 HydrophobicContact CG2-CD1 4.32Å; I31-L94 HydrophobicContact CG2-CD2 3.8Å; I31-L94 HydrophobicContact CG2-CG 4.18Å; I31-V95 HydrophobicContact CD1-CG2 4.5Å; I31-T98 HydrophobicContact CD1-CG2 4Å; I31-T98 WeakPolarHBondContact CD1-OG1 3.44Å; I31-T98 HydrophobicContact CG1-CG2 3.9Å; I31-I105 HydrophobicContact CD1-CD1 3.7Å; I31-I105 HydrophobicContact CD1-CG1 4.07Å; I31-I105 HydrophobicContact CD1-CG2 4.19Å; I31-I105 HydrophobicContact CG1-CG2 4.47Å; I31-I107 PolarHBondContact N-O 3.11Å; I31-L108 HydrophobicContact CB-CD1 4.28Å; I31-L108 HydrophobicContact CG2-CD1 4.09Å; I31-V109 PolarHBondContact O-N 3.19Å; I31-V147 HydrophobicContact CD1-CG1 4.29Å
32V98.9Very high94.7Very high0 Ų034.6 Ų34.60%020%0.202CC..EExtended strand (participates in β ladder)trans-122.5120.1172.1-168.30000108.8S35 G40 A43 A44 L47 V55 S57 V109V32-S35 WeakPolarHBondContact O-CB 3.49Å; V32-S35 PolarHBondContact O-OG 2.66Å; V32-G40 WeakPolarHBondContact CG1-O 3.49Å; V32-A43 HydrophobicContact CG1-CB 4.26Å; V32-A44 HydrophobicContact CG2-CB 4.28Å; V32-L47 HydrophobicContact CG2-CD1 3.87Å; V32-V55 PolarHBondContact N-O 2.8Å; V32-S57 PolarHBondContact O-OG 3.14Å; V32-V109 HydrophobicContact CB-CB 4.34Å; V32-V109 HydrophobicContact CG1-CB 3.94Å; V32-V109 HydrophobicContact CG1-CG1 4.03Å; V32-V109 HydrophobicContact CG2-CB 4.17Å; V32-V109 HydrophobicContact CG2-CG2 4.27Å
33T98.8Very high96.7Very high0 Ų026.3 Ų26.30%016%0.164CC..SBendtrans-87.9147.2-179.564.40000112.8I31 S35 V85 L94 V109 N111 A112 L143I31-T33 HydrophobicContact CG2-CG2 4.39Å; T33-S35 PolarHBondContact O-N 3.44Å; T33-V85 HydrophobicContact CG2-CG1 3.97Å; T33-L94 HydrophobicContact CG2-CD2 4.24Å; T33-V109 PolarHBondContact N-O 3.1Å; T33-N111 WeakPolarHBondContact O-CB 3.36Å; T33-N111 PolarHBondContact O-ND2 2.88Å; T33-N111 PolarHBondContact OG1-N 3.27Å; T33-A112 PolarHBondContact OG1-N 3.21Å; T33-A112 VanDerWaalsContact OG1-N 3.14Å; T33-L143 HydrophobicContact CG2-CD1 3.79Å
34A97.9Very high97.9Very high39 Ų3924.7 Ų24.732%0.32215%0.152SC..SBendtrans5053.3-174.800000112.5S57 N111 A112A34-S57 CarbonylContact C-O 3.59Å; A34-S57 VanDerWaalsContact CA-O 3.24Å; A34-S57 WeakPolarHBondContact CA-O 3.37Å; A34-S57 PolarHBondContact N-O 3.14Å; A34-S57 VanDerWaalsContact N-O 3.12Å; A34-N111 PolarHBondContact O-ND2 2.91Å; A34-A112 HydrophobicContact CB-CB 3.73Å
35S98.4Very high98.3Very high0 Ų023.4 Ų23.40%014%0.141CC..  trans-115.523.6-163.850.70000114.5V32 T33 G40 L41 V56 S57V32-S35 WeakPolarHBondContact O-CB 3.49Å; V32-S35 PolarHBondContact O-OG 2.66Å; T33-S35 PolarHBondContact O-N 3.44Å; S35-G40 WeakPolarHBondContact CB-O 3.23Å; S35-L41 WeakPolarHBondContact O-CA 3.29Å; S35-V56 WeakPolarHBondContact OG-CA 3.4Å; S35-V56 VanDerWaalsContact OG-CB 3.31Å; S35-V56 WeakPolarHBondContact OG-CB 3.31Å; S35-S57 PolarHBondContact N-O 2.74Å; S35-S57 PolarHBondContact OG-N 3.02Å
36T98.2Very high98.4Very high25 Ų2524 Ų2415%0.15315%0.147CC..SBendtrans-96.8-2.7176.960.80000113.5S58 N63 V64 A67T36-S58 WeakPolarHBondContact OG1-CB 3.48Å; T36-N63 WeakPolarHBondContact CB-O 3.11Å; T36-N63 HydrophobicContact CG2-CB 4.26Å; T36-N63 WeakPolarHBondContact CG2-O 3.23Å; T36-V64 HydrophobicContact CG2-CB 4.47Å; T36-V64 HydrophobicContact CG2-CG2 4.06Å; T36-A67 HydrophobicContact CG2-CB 3.83Å
37D97.8Very high98.5Very high85 Ų8518.6 Ų18.646%0.45512%0.118SC..SBendtrans-159.3166.5178-167.311.2000109.7L41D37-L41 PolarHBondContact O-N 3.02Å
38G98.2Very high98.6Very high13 Ų1316.9 Ų16.913%0.13410%0.1CC..Hα-helixtrans54.1-141.9172.500000114.8G40 L41 A42G38-G40 VanDerWaalsContact C-N 3.28Å; G38-G40 PolarHBondContact O-N 3.42Å; G38-L41 PolarHBondContact O-N 3.4Å; G38-A42 PolarHBondContact O-N 2.93Å
39I98.7Very high98.6Very high26 Ų2619.9 Ų19.913%0.13311%0.113CC..Hα-helixtrans-57-40.3-175.6-67.7170.4000112.1A42 A43 V162 P207 I210 T212 I243 I247I39-A42 PolarHBondContact O-N 2.8Å; I39-A43 WeakPolarHBondContact O-CB 3.28Å; I39-A43 PolarHBondContact O-N 3.36Å; I39-V162 HydrophobicContact CG2-CG1 4.27Å; I39-P207 HydrophobicContact CD1-CB 4.22Å; I39-P207 HydrophobicContact CD1-CG 4Å; I39-I210 HydrophobicContact CD1-CB 4.31Å; I39-I210 HydrophobicContact CD1-CG1 4.18Å; I39-I210 HydrophobicContact CD1-CG2 4.44Å; I39-I210 HydrophobicContact CG1-CG2 4.22Å; I39-T212 HydrophobicContact CG1-CG2 4.25Å; I39-I243 HydrophobicContact CD1-CG1 4.28Å; I39-I243 HydrophobicContact CG1-CB 4.36Å; I39-I243 HydrophobicContact CG1-CG1 4.26Å; I39-I243 HydrophobicContact CG1-CG2 4.48Å; I39-I243 HydrophobicContact CG2-CB 4.07Å; I39-I243 HydrophobicContact CG2-CG2 3.54Å; I39-I247 HydrophobicContact CG2-CD1 4.37Å
40G98.7Very high98.6Very high1 Ų122.9 Ų22.91%0.0112%0.124CC..Hα-helixtrans-65.8-40.5-179.400000112.5V32 S35 G38 A43 A44 N111V32-G40 WeakPolarHBondContact CG1-O 3.49Å; S35-G40 WeakPolarHBondContact CB-O 3.23Å; G38-G40 VanDerWaalsContact C-N 3.28Å; G38-G40 PolarHBondContact O-N 3.42Å; G40-A43 PolarHBondContact O-N 3.43Å; G40-A44 PolarHBondContact O-N 3.18Å; G40-N111 WeakPolarHBondContact CA-ND2 3.41Å
41L98.9Very high98.5Very high22 Ų2223.6 Ų23.612%0.11513%0.131CC..Hα-helixtrans-67-43.2175.1178.860.5000111.3S35 D37 G38 A43 A44 Q45 A67 L70 L71S35-L41 WeakPolarHBondContact O-CA 3.29Å; D37-L41 PolarHBondContact O-N 3.02Å; G38-L41 PolarHBondContact O-N 3.4Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.46Å; L41-A44 PolarHBondContact O-N 3.03Å; L41-Q45 HydrophobicContact CD1-CG 4.5Å; L41-Q45 WeakPolarHBondContact O-CG 3.4Å; L41-Q45 PolarHBondContact O-N 3.34Å; L41-A67 HydrophobicContact CD1-CB 4.31Å; L41-L70 HydrophobicContact CD1-CD2 4.48Å; L41-L70 HydrophobicContact CD2-CD2 3.97Å; L41-L71 HydrophobicContact CD1-CD1 4.3Å; L41-L71 HydrophobicContact CD1-CD2 4.43Å; L41-L71 HydrophobicContact CD1-CG 4.32Å
42A98.9Very high98.5Very high4 Ų423.6 Ų23.63%0.03313%0.131CC..Hα-helixtrans-62.2-38.2176.700000112.5G38 I39 Q45 A46 P240G38-A42 PolarHBondContact O-N 2.93Å; I39-A42 PolarHBondContact O-N 2.8Å; A42-Q45 PolarHBondContact O-N 3.24Å; A42-A46 WeakPolarHBondContact O-CB 3.46Å; A42-A46 PolarHBondContact O-N 2.87Å; A42-P240 VanDerWaalsContact CB-C 3.44Å; A42-P240 HydrophobicContact CB-CB 3.64Å; A42-P240 VanDerWaalsContact CB-O 3.3Å; A42-P240 WeakPolarHBondContact CB-O 3.34Å
43A98.9Very high98.5Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-63.9-45.7172.600000111.7V32 I39 G40 L41 Q45 A46 L47 I247V32-A43 HydrophobicContact CG1-CB 4.26Å; I39-A43 WeakPolarHBondContact O-CB 3.28Å; I39-A43 PolarHBondContact O-N 3.36Å; G40-A43 PolarHBondContact O-N 3.43Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 3.46Å; A43-Q45 VanDerWaalsContact C-N 3.32Å; A43-Q45 PolarHBondContact O-N 3.36Å; A43-A46 PolarHBondContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CB 3.41Å; A43-L47 VanDerWaalsContact O-CG 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 2.91Å; A43-I247 HydrophobicContact CB-CB 4.49Å; A43-I247 HydrophobicContact CB-CD1 3.79Å; A43-I247 HydrophobicContact CB-CG2 4.27Å
44A98.9Very high98.5Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-60.4-41.5175.400000111.8V32 G40 L41 G48 V54 V56 L71V32-A44 HydrophobicContact CG2-CB 4.28Å; G40-A44 PolarHBondContact O-N 3.18Å; L41-A44 PolarHBondContact O-N 3.03Å; A44-G48 PolarHBondContact O-N 2.86Å; A44-V54 HydrophobicContact CB-CB 4.46Å; A44-V54 HydrophobicContact CB-CG2 4.41Å; A44-V54 WeakPolarHBondContact O-CG1 3.41Å; A44-V56 HydrophobicContact CB-CG1 3.73Å; A44-L71 HydrophobicContact CB-CD1 4.26Å
45Q98.9Very high98.5Very high22 Ų2223.2 Ų23.210%0.10312%0.123CC..Hα-helixtrans-62.4-47.2174.1-73.5175.5-40.100112L41 A42 A43 G48 K49 L71 Q74L41-Q45 HydrophobicContact CD1-CG 4.5Å; L41-Q45 WeakPolarHBondContact O-CG 3.4Å; L41-Q45 PolarHBondContact O-N 3.34Å; A42-Q45 PolarHBondContact O-N 3.24Å; A43-Q45 VanDerWaalsContact C-N 3.32Å; A43-Q45 PolarHBondContact O-N 3.36Å; Q45-G48 PolarHBondContact O-N 3.08Å; Q45-K49 WeakPolarHBondContact O-CB 3.25Å; Q45-K49 VanDerWaalsContact O-CG 3.23Å; Q45-K49 WeakPolarHBondContact O-CG 3.3Å; Q45-K49 PolarHBondContact O-N 3Å; Q45-L71 HydrophobicContact CB-CD2 4.32Å; Q45-L71 HydrophobicContact CG-CD2 3.44Å; Q45-L71 VanDerWaalsContact CG-CD2 3.44Å; Q45-Q74 VanDerWaalsContact NE2-NE2 3.13Å
46A98.7Very high98.6Very high18 Ų1823.2 Ų23.215%0.14912%0.123CC..Hα-helixtrans-65.1-41.3-17800000112.5A42 A43 R50 G244 A248A42-A46 WeakPolarHBondContact O-CB 3.46Å; A42-A46 PolarHBondContact O-N 2.87Å; A43-A46 PolarHBondContact O-N 3.16Å; A46-R50 WeakPolarHBondContact O-CG 3.35Å; A46-R50 PolarHBondContact O-N 2.96Å; A46-G244 VanDerWaalsContact CB-C 3.45Å; A46-G244 VanDerWaalsContact CB-O 3.25Å; A46-G244 WeakPolarHBondContact CB-O 3.25Å; A46-A248 HydrophobicContact CB-CB 3.82Å
47L98.8Very high98.6Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-66.3-46.2175-68.1167.5000111.3L25 A30 V32 A43 R50 G51 A52 V54 I107 V109 A248 C251L25-L47 HydrophobicContact CD1-CB 4.41Å; L25-L47 HydrophobicContact CD1-CD2 3.43Å; L25-L47 VanDerWaalsContact CD1-CD2 3.43Å; A30-L47 HydrophobicContact CB-CD1 3.98Å; V32-L47 HydrophobicContact CG2-CD1 3.87Å; A43-L47 WeakPolarHBondContact O-CB 3.41Å; A43-L47 VanDerWaalsContact O-CG 3.24Å; A43-L47 WeakPolarHBondContact O-CG 3.44Å; A43-L47 PolarHBondContact O-N 2.91Å; L47-R50 PolarHBondContact O-N 3.22Å; L47-R50 VanDerWaalsContact O-N 3.13Å; L47-G51 PolarHBondContact O-N 2.88Å; L47-A52 HydrophobicContact CB-CB 4.26Å; L47-A52 WeakPolarHBondContact O-CB 3.31Å; L47-A52 PolarHBondContact O-N 3.08Å; L47-V54 HydrophobicContact CB-CG1 3.9Å; L47-I107 HydrophobicContact CD2-CD1 4.27Å; L47-V109 HydrophobicContact CD1-CG2 3.93Å; L47-A248 HydrophobicContact CD2-CB 4.11Å; L47-A248 HydrophobicContact CG-CB 4.48Å; L47-C251 HydrophobicContact CD2-CB 4.01Å
48G98.6Very high98.5Very high8 Ų818.6 Ų18.68%0.08210%0.098CC..Hα-helixtrans-63.8-40.8179.800000113.7A44 Q45 R50 G51A44-G48 PolarHBondContact O-N 2.86Å; Q45-G48 PolarHBondContact O-N 3.08Å; G48-R50 PolarHBondContact O-N 2.85Å; G48-G51 PolarHBondContact O-N 3Å
49K98.2Very high98.5Very high147 Ų14726.4 Ų26.464%0.63912%0.123SC*.Hα-helixtrans-62.5-21.7174.4-76.8174.5-178.3178.30113.3Q45 I76Q45-K49 WeakPolarHBondContact O-CB 3.25Å; Q45-K49 VanDerWaalsContact O-CG 3.23Å; Q45-K49 WeakPolarHBondContact O-CG 3.3Å; Q45-K49 PolarHBondContact O-N 3Å; K49-I76 HydrophobicContact CG-CD1 4.19Å
50R97.8Very high98.4Very high69 Ų6933.1 Ų33.126%0.2615%0.147SC..THydrogen-bonded Turntrans-92.25.2173.4-64.6-179.2-174.1-150.5-0.2112.8S23 L25 A46 L47 G48 A248S23-R50 VanDerWaalsContact CB-NH1 3.31Å; S23-R50 WeakPolarHBondContact O-CD 3.44Å; S23-R50 PolarHBondContact OG-NH1 2.91Å; L25-R50 HydrophobicContact CB-CB 4.25Å; L25-R50 HydrophobicContact CD1-CB 4.06Å; L25-R50 HydrophobicContact CG-CB 4.01Å; L25-R50 PolarHBondContact N-O 2.86Å; A46-R50 WeakPolarHBondContact O-CG 3.35Å; A46-R50 PolarHBondContact O-N 2.96Å; L47-R50 PolarHBondContact O-N 3.22Å; L47-R50 VanDerWaalsContact O-N 3.13Å; G48-R50 PolarHBondContact O-N 2.85Å; R50-A248 PolarHBondContact NH1-O 3.37Å
51G97.7Very high98.4Very high16 Ų1637.4 Ų37.417%0.16517%0.167CC..THydrogen-bonded Turntrans104.8-6.3172.600000115.8L25 D26 L47 G48 R77L25-G51 CarbonylContact O-C 3.54Å; D26-G51 VanDerWaalsContact OD1-CA 3.29Å; D26-G51 WeakPolarHBondContact OD1-CA 3.35Å; L47-G51 PolarHBondContact O-N 2.88Å; G48-G51 PolarHBondContact O-N 3Å; G51-R77 PolarHBondContact O-NH2 2.93Å
52A98.6Very high98.4Very high0 Ų039.2 Ų39.20%019%0.185CC..  trans-65.5143.5178.700000111.4L25 K28 A30 L47 V54L25-A52 HydrophobicContact CB-CB 3.91Å; L25-A52 HydrophobicContact CD1-CB 4.43Å; L25-A52 WeakPolarHBondContact O-CA 3.49Å; L25-A52 PolarHBondContact O-N 3.22Å; K28-A52 CarbonylContact O-C 3.54Å; K28-A52 WeakPolarHBondContact O-CA 3.48Å; A30-A52 HydrophobicContact CB-CB 4.44Å; L47-A52 HydrophobicContact CB-CB 4.26Å; L47-A52 WeakPolarHBondContact O-CB 3.31Å; L47-A52 PolarHBondContact O-N 3.08Å; A52-V54 HydrophobicContact CB-CG1 4.36Å; A52-V54 PolarHBondContact O-N 3.04Å
53H98.8Very high98.4Very high32 Ų3241.6 Ų41.615%0.14820%0.197CC..EExtended strand (participates in β ladder)trans-78.3115.1161.2-168.5143.7000107.9K28 V29 A30 R77 T79K28-H53 PolarHBondContact O-N 3.32Å; V29-H53 WeakPolarHBondContact CA-O 3.24Å; V29-H53 HydrophobicContact CG2-CB 4.48Å; A30-H53 PolarHBondContact N-O 3.08Å; H53-R77 WeakPolarHBondContact CA-O 3.42Å; H53-R77 HydrophobicContact CB-CB 4.2Å; H53-T79 PolarHBondContact NE2-OG1 2.9Å
54V98.9Very high98.4Very high0 Ų041.6 Ų41.60%020%0.197CC..EExtended strand (participates in β ladder)trans-97.3132.5-177.4-61.90000111.7A30 A44 L47 A52 L71 I76 R77 V78 T79A30-V54 HydrophobicContact CB-CG1 4.38Å; A30-V54 CarbonylContact O-C 3.51Å; A30-V54 WeakPolarHBondContact O-CA 3.45Å; A44-V54 HydrophobicContact CB-CB 4.46Å; A44-V54 HydrophobicContact CB-CG2 4.41Å; A44-V54 WeakPolarHBondContact O-CG1 3.41Å; L47-V54 HydrophobicContact CB-CG1 3.9Å; A52-V54 HydrophobicContact CB-CG1 4.36Å; A52-V54 PolarHBondContact O-N 3.04Å; V54-L71 HydrophobicContact CG2-CD1 4.21Å; V54-I76 HydrophobicContact CG2-CG2 3.67Å; V54-R77 PolarHBondContact N-O 3.14Å; V54-V78 HydrophobicContact CG2-CB 3.95Å; V54-V78 HydrophobicContact CG2-CG2 4.01Å; V54-V78 VanDerWaalsContact O-CA 3.24Å; V54-V78 WeakPolarHBondContact O-CA 3.41Å; V54-T79 PolarHBondContact O-N 2.98Å
55V98.9Very high98.3Very high0 Ų045.7 Ų45.70%022%0.219CC..EExtended strand (participates in β ladder)trans-104.2109.6170.8-173.60000108.4V29 A30 I31 V32 T79 L94 T98V29-V55 HydrophobicContact CG1-CG2 4.32Å; A30-V55 PolarHBondContact O-N 3.41Å; I31-V55 HydrophobicContact CG1-CB 4.27Å; V32-V55 PolarHBondContact N-O 2.8Å; V55-T79 CarbonylContact C-O 3.58Å; V55-T79 VanDerWaalsContact CA-O 3.3Å; V55-T79 WeakPolarHBondContact CA-O 3.37Å; V55-L94 HydrophobicContact CG1-CD1 3.94Å; V55-T98 HydrophobicContact CG2-CG2 3.71Å
56V98.9Very high98.3Very high0 Ų051.9 Ų51.90%025%0.246CC..EExtended strand (participates in β ladder)trans-96147.3-179.5-630000111.5S35 A44 V68 L71 V78 T79 G80 T81S35-V56 WeakPolarHBondContact OG-CA 3.4Å; S35-V56 VanDerWaalsContact OG-CB 3.31Å; S35-V56 WeakPolarHBondContact OG-CB 3.31Å; A44-V56 HydrophobicContact CB-CG1 3.73Å; V56-V68 HydrophobicContact CG2-CG2 3.9Å; V56-L71 HydrophobicContact CG1-CD1 3.61Å; V56-V78 HydrophobicContact CG1-CG2 4.31Å; V56-V78 HydrophobicContact CG2-CG2 3.89Å; V56-T79 PolarHBondContact N-O 3.28Å; V56-G80 WeakPolarHBondContact O-CA 3.31Å; V56-T81 PolarHBondContact O-N 3.17Å; V56-T81 VanDerWaalsContact O-N 3.08Å
57S98.5Very high98.3Very high0 Ų051.1 Ų51.10%024%0.239CC..EExtended strand (participates in β ladder)trans-146.8147.9178.964.10000113.7V32 A34 S35 T81V32-S57 PolarHBondContact O-OG 3.14Å; A34-S57 CarbonylContact C-O 3.59Å; A34-S57 VanDerWaalsContact CA-O 3.24Å; A34-S57 WeakPolarHBondContact CA-O 3.37Å; A34-S57 PolarHBondContact N-O 3.14Å; A34-S57 VanDerWaalsContact N-O 3.12Å; S35-S57 PolarHBondContact N-O 2.74Å; S35-S57 PolarHBondContact OG-N 3.02Å; S57-T81 WeakPolarHBondContact CA-O 3.22Å; S57-T81 VanDerWaalsContact CB-O 3.26Å; S57-T81 WeakPolarHBondContact CB-O 3.39Å
58S97.1Very high98.3Very high12 Ų1252.2 Ų52.28%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-151.7-179.416681.60000110.1T36 R60 V64 T82 C83T36-S58 WeakPolarHBondContact OG1-CB 3.48Å; S58-R60 VanDerWaalsContact C-N 3.32Å; S58-R60 PolarHBondContact O-N 3.47Å; S58-R60 PolarHBondContact OG-N 2.96Å; S58-R60 PolarHBondContact OG-O 2.89Å; S58-V64 WeakPolarHBondContact OG-CG2 3.39Å; S58-T82 CarbonylContact O-C 3.57Å; S58-T82 WeakPolarHBondContact O-CA 3.33Å; S58-C83 CarbonylContact C-O 3.58Å; S58-C83 PolarHBondContact O-N 3.32Å
59R96.8Very high98.4Very high177 Ų17754.7 Ų54.767%0.66827%0.265SS*.SBendtrans-78.6-12.6179.5-64.2175-69.7164.1-2.7114.1N84R59-N84 HydrophobicContact CG-CB 4.05Å
60R97.6Very high98.4Very high168 Ų16850.8 Ų50.863%0.63425%0.251SS*.  trans-125.8122.1-171.8-65.3-176-178175.6-0.6110.2S58 A62 N63 V64S58-R60 VanDerWaalsContact C-N 3.32Å; S58-R60 PolarHBondContact O-N 3.47Å; S58-R60 PolarHBondContact OG-N 2.96Å; S58-R60 PolarHBondContact OG-O 2.89Å; R60-A62 VanDerWaalsContact C-N 3.32Å; R60-A62 PolarHBondContact O-N 3.14Å; R60-N63 HydrophobicContact CB-CB 4.4Å; R60-N63 WeakPolarHBondContact O-CB 3.31Å; R60-N63 PolarHBondContact O-N 3.01Å; R60-V64 PolarHBondContact O-N 2.67Å
61Q98.1Very high98.4Very high91 Ų9147.5 Ų47.543%0.42524%0.239SC..Hα-helixtrans-55.3-46.1-178-170.860.850.700112.1N63 V64 D65 T82Q61-N63 PolarHBondContact O-N 3.33Å; Q61-N63 VanDerWaalsContact O-N 3.08Å; Q61-V64 CarbonylContact O-C 3.45Å; Q61-V64 WeakPolarHBondContact O-CA 3.3Å; Q61-V64 VanDerWaalsContact O-CB 3.31Å; Q61-V64 WeakPolarHBondContact O-CB 3.26Å; Q61-V64 PolarHBondContact O-N 3.09Å; Q61-D65 PolarHBondContact NE2-OD1 3.26Å; Q61-D65 VanDerWaalsContact O-CG 3.26Å; Q61-D65 PolarHBondContact O-N 2.89Å; Q61-T82 HydrophobicContact CB-CG2 4.08Å
62A98.4Very high98.5Very high59 Ų5953 Ų5349%0.48826%0.258SS..Hα-helixtrans-57.2-30.7178.600000114.3R60 K66R60-A62 VanDerWaalsContact C-N 3.32Å; R60-A62 PolarHBondContact O-N 3.14Å; A62-K66 VanDerWaalsContact O-CG 3.3Å; A62-K66 WeakPolarHBondContact O-CG 3.41Å; A62-K66 PolarHBondContact O-N 2.89Å
63N98.5Very high98.5Very high54 Ų5457.4 Ų57.429%0.28929%0.289SS..Hα-helixtrans-76.1-37.7174.7-69.6-2.2000111.2T36 R60 Q61 A67T36-N63 WeakPolarHBondContact CB-O 3.11Å; T36-N63 HydrophobicContact CG2-CB 4.26Å; T36-N63 WeakPolarHBondContact CG2-O 3.23Å; R60-N63 HydrophobicContact CB-CB 4.4Å; R60-N63 WeakPolarHBondContact O-CB 3.31Å; R60-N63 PolarHBondContact O-N 3.01Å; Q61-N63 PolarHBondContact O-N 3.33Å; Q61-N63 VanDerWaalsContact O-N 3.08Å; N63-A67 WeakPolarHBondContact O-CB 3.48Å; N63-A67 PolarHBondContact O-N 3.3Å; N63-A67 VanDerWaalsContact O-N 3.08Å
64V98.8Very high98.5Very high1 Ų159.1 Ų59.11%0.00630%0.297CS..Hα-helixtrans-61.2-48.7175177.70000109.9T36 S58 R60 Q61 K66 A67 V68 G80 T82T36-V64 HydrophobicContact CG2-CB 4.47Å; T36-V64 HydrophobicContact CG2-CG2 4.06Å; S58-V64 WeakPolarHBondContact OG-CG2 3.39Å; R60-V64 PolarHBondContact O-N 2.67Å; Q61-V64 CarbonylContact O-C 3.45Å; Q61-V64 WeakPolarHBondContact O-CA 3.3Å; Q61-V64 VanDerWaalsContact O-CB 3.31Å; Q61-V64 WeakPolarHBondContact O-CB 3.26Å; Q61-V64 PolarHBondContact O-N 3.09Å; V64-K66 VanDerWaalsContact C-N 3.33Å; V64-K66 PolarHBondContact O-N 3.4Å; V64-A67 PolarHBondContact O-N 2.63Å; V64-A67 VanDerWaalsContact O-N 3.16Å; V64-V68 HydrophobicContact CG1-CG2 4.21Å; V64-V68 VanDerWaalsContact O-CG2 3.31Å; V64-V68 WeakPolarHBondContact O-CG2 3.38Å; V64-V68 PolarHBondContact O-N 2.86Å; V64-G80 VanDerWaalsContact CG1-CA 3.49Å; V64-T82 HydrophobicContact CG2-CG2 4.48Å
65D98.8Very high98.4Very high85 Ų8564.8 Ų64.846%0.45534%0.337SS..Hα-helixtrans-59.4-44.1-178.8-58.4-27.5000111.8Q61 V68 A69Q61-D65 PolarHBondContact NE2-OD1 3.26Å; Q61-D65 VanDerWaalsContact O-CG 3.26Å; Q61-D65 PolarHBondContact O-N 2.89Å; D65-V68 PolarHBondContact O-N 3.48Å; D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 3.42Å
66K98.8Very high98.4Very high153 Ų15365.2 Ų65.267%0.66534%0.339SS*.Hα-helixtrans-61.2-45.7175.7-74.3176.5-178.2-175.20112.3A62 V64 A69 L70A62-K66 VanDerWaalsContact O-CG 3.3Å; A62-K66 WeakPolarHBondContact O-CG 3.41Å; A62-K66 PolarHBondContact O-N 2.89Å; V64-K66 VanDerWaalsContact C-N 3.33Å; V64-K66 PolarHBondContact O-N 3.4Å; K66-A69 PolarHBondContact O-N 3.13Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 PolarHBondContact O-N 2.93Å
67A98.8Very high98.4Very high2 Ų271.2 Ų71.22%0.01736%0.361CS..Hα-helixtrans-65.7-41.5179.200000111.8T36 L41 N63 V64 L70 L71T36-A67 HydrophobicContact CG2-CB 3.83Å; L41-A67 HydrophobicContact CD1-CB 4.31Å; N63-A67 WeakPolarHBondContact O-CB 3.48Å; N63-A67 PolarHBondContact O-N 3.3Å; N63-A67 VanDerWaalsContact O-N 3.08Å; V64-A67 PolarHBondContact O-N 2.63Å; V64-A67 VanDerWaalsContact O-N 3.16Å; A67-L70 PolarHBondContact O-N 2.87Å; A67-L71 WeakPolarHBondContact O-CB 3.18Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.42Å; A67-L71 PolarHBondContact O-N 2.6Å
68V98.9Very high98.4Very high22 Ų2271.8 Ų71.813%0.13337%0.365CS..Hα-helixtrans-61.1-46.5175169.90000110.8V56 V64 D65 L70 L71 K72 V78V56-V68 HydrophobicContact CG2-CG2 3.9Å; V64-V68 HydrophobicContact CG1-CG2 4.21Å; V64-V68 VanDerWaalsContact O-CG2 3.31Å; V64-V68 WeakPolarHBondContact O-CG2 3.38Å; V64-V68 PolarHBondContact O-N 2.86Å; D65-V68 PolarHBondContact O-N 3.48Å; V68-L70 PolarHBondContact O-N 3.43Å; V68-L71 PolarHBondContact O-N 3.19Å; V68-K72 HydrophobicContact CG1-CD 4.02Å; V68-K72 HydrophobicContact CG1-CG 4.41Å; V68-K72 WeakPolarHBondContact O-CB 3.45Å; V68-K72 VanDerWaalsContact O-CG 3.31Å; V68-K72 WeakPolarHBondContact O-CG 3.34Å; V68-K72 PolarHBondContact O-N 3.02Å; V68-V78 HydrophobicContact CG1-CG1 4.14Å; V68-V78 HydrophobicContact CG2-CG2 4.15Å
69A98.8Very high98.5Very high60 Ų6072 Ų7250%0.49637%0.366SS..Hα-helixtrans-60.4-45.8178.300000112D65 K66 K72 S73D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 3.42Å; K66-A69 PolarHBondContact O-N 3.13Å; A69-K72 PolarHBondContact O-N 2.93Å; A69-S73 PolarHBondContact O-N 2.76Å
70L98.8Very high98.6Very high66 Ų6664.8 Ų64.835%0.34635%0.346SS..Hα-helixtrans-61.4-45.6176.5174.664.9000112.5L41 K66 A67 V68 S73 Q74L41-L70 HydrophobicContact CD1-CD2 4.48Å; L41-L70 HydrophobicContact CD2-CD2 3.97Å; K66-L70 WeakPolarHBondContact O-CB 3.45Å; K66-L70 PolarHBondContact O-N 2.93Å; A67-L70 PolarHBondContact O-N 2.87Å; V68-L70 PolarHBondContact O-N 3.43Å; L70-S73 PolarHBondContact O-N 2.97Å; L70-S73 PolarHBondContact O-OG 2.82Å; L70-Q74 WeakPolarHBondContact O-CG 3.47Å; L70-Q74 PolarHBondContact O-N 2.99Å
71L98.8Very high98.6Very high0 Ų057.8 Ų57.80%032%0.322CS..Hα-helixtrans-67.1-40-179.9-72.4169000110.9L41 A44 Q45 V54 V56 A67 V68 S73 Q74 I76 V78L41-L71 HydrophobicContact CD1-CD1 4.3Å; L41-L71 HydrophobicContact CD1-CD2 4.43Å; L41-L71 HydrophobicContact CD1-CG 4.32Å; A44-L71 HydrophobicContact CB-CD1 4.26Å; Q45-L71 HydrophobicContact CB-CD2 4.32Å; Q45-L71 HydrophobicContact CG-CD2 3.44Å; Q45-L71 VanDerWaalsContact CG-CD2 3.44Å; V54-L71 HydrophobicContact CG2-CD1 4.21Å; V56-L71 HydrophobicContact CG1-CD1 3.61Å; A67-L71 WeakPolarHBondContact O-CB 3.18Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.42Å; A67-L71 PolarHBondContact O-N 2.6Å; V68-L71 PolarHBondContact O-N 3.19Å; L71-S73 PolarHBondContact O-N 2.93Å; L71-Q74 CarbonylContact O-C 3.48Å; L71-Q74 WeakPolarHBondContact O-CB 3.32Å; L71-Q74 PolarHBondContact O-N 3.19Å; L71-Q74 VanDerWaalsContact O-N 3.09Å; L71-I76 HydrophobicContact CB-CB 4.33Å; L71-I76 HydrophobicContact CB-CG2 4.46Å; L71-I76 HydrophobicContact CD2-CD1 3.68Å; L71-I76 HydrophobicContact CD2-CG2 4.46Å; L71-I76 WeakPolarHBondContact O-CB 3.36Å; L71-I76 PolarHBondContact O-N 2.96Å; L71-V78 HydrophobicContact CB-CB 4.04Å; L71-V78 HydrophobicContact CB-CG1 3.79Å; L71-V78 HydrophobicContact CB-CG2 4.21Å; L71-V78 HydrophobicContact CD1-CB 4.32Å; L71-V78 HydrophobicContact CD1-CG2 3.72Å
72K98.7Very high98.6Very high131 Ų13156 Ų5657%0.5732%0.318SS*.Hα-helixtrans-61.9-40.3173.3-74.8-178.4177.6-179.40112.5V68 A69 Q74 S75 V78V68-K72 HydrophobicContact CG1-CD 4.02Å; V68-K72 HydrophobicContact CG1-CG 4.41Å; V68-K72 WeakPolarHBondContact O-CB 3.45Å; V68-K72 VanDerWaalsContact O-CG 3.31Å; V68-K72 WeakPolarHBondContact O-CG 3.34Å; V68-K72 PolarHBondContact O-N 3.02Å; A69-K72 PolarHBondContact O-N 2.93Å; K72-Q74 PolarHBondContact O-N 3.31Å; K72-Q74 VanDerWaalsContact O-N 3.16Å; K72-S75 PolarHBondContact O-N 3.47Å; K72-V78 HydrophobicContact CD-CG1 4.47Å; K72-V78 HydrophobicContact CG-CG1 3.55Å
73S98.6Very high98.6Very high93 Ų9353.4 Ų53.465%0.6530%0.296SS*.Hα-helixtrans-66.7-13.7176.974.70000113.2A69 L70 L71A69-S73 PolarHBondContact O-N 2.76Å; L70-S73 PolarHBondContact O-N 2.97Å; L70-S73 PolarHBondContact O-OG 2.82Å; L71-S73 PolarHBondContact O-N 2.93Å
74Q98.3Very high98.6Very high68 Ų6852.6 Ų52.632%0.31829%0.291SS..THydrogen-bonded Turntrans-97.713.4172.6-63.6177.8-4.800112.5Q45 L70 L71 K72 I76Q45-Q74 VanDerWaalsContact NE2-NE2 3.13Å; L70-Q74 WeakPolarHBondContact O-CG 3.47Å; L70-Q74 PolarHBondContact O-N 2.99Å; L71-Q74 CarbonylContact O-C 3.48Å; L71-Q74 WeakPolarHBondContact O-CB 3.32Å; L71-Q74 PolarHBondContact O-N 3.19Å; L71-Q74 VanDerWaalsContact O-N 3.09Å; K72-Q74 PolarHBondContact O-N 3.31Å; K72-Q74 VanDerWaalsContact O-N 3.16Å; Q74-I76 HydrophobicContact CB-CD1 4.12Å; Q74-I76 HydrophobicContact CB-CG1 4.27Å; Q74-I76 PolarHBondContact O-N 3.12Å
75S98.3Very high98.6Very high118 Ų11852.9 Ų52.983%0.82529%0.293SS*.THydrogen-bonded Turntrans60.125.1-176.8-550000114.1K72K72-S75 PolarHBondContact O-N 3.47Å
76I98.6Very high98.5Very high10 Ų1050.1 Ų50.15%0.05129%0.285CS..  trans-87.9133.5176.6-65.3169.8000109.5K49 V54 L71 Q74 V78K49-I76 HydrophobicContact CG-CD1 4.19Å; V54-I76 HydrophobicContact CG2-CG2 3.67Å; L71-I76 HydrophobicContact CB-CB 4.33Å; L71-I76 HydrophobicContact CB-CG2 4.46Å; L71-I76 HydrophobicContact CD2-CD1 3.68Å; L71-I76 HydrophobicContact CD2-CG2 4.46Å; L71-I76 WeakPolarHBondContact O-CB 3.36Å; L71-I76 PolarHBondContact O-N 2.96Å; Q74-I76 HydrophobicContact CB-CD1 4.12Å; Q74-I76 HydrophobicContact CB-CG1 4.27Å; Q74-I76 PolarHBondContact O-N 3.12Å; I76-V78 PolarHBondContact O-N 2.86Å
77R98.6Very high98.5Very high125 Ų12548.7 Ų48.747%0.47228%0.279SS..  trans-70115.5169.9-66-172.8-64.7160.21109.1G51 H53 V54G51-R77 PolarHBondContact O-NH2 2.93Å; H53-R77 WeakPolarHBondContact CA-O 3.42Å; H53-R77 HydrophobicContact CB-CB 4.2Å; V54-R77 PolarHBondContact N-O 3.14Å
78V98.8Very high98.5Very high13 Ų1349.9 Ų49.98%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-140.5138.4-173.558.80000112.6V54 V56 V68 L71 K72 I76V54-V78 HydrophobicContact CG2-CB 3.95Å; V54-V78 HydrophobicContact CG2-CG2 4.01Å; V54-V78 VanDerWaalsContact O-CA 3.24Å; V54-V78 WeakPolarHBondContact O-CA 3.41Å; V56-V78 HydrophobicContact CG1-CG2 4.31Å; V56-V78 HydrophobicContact CG2-CG2 3.89Å; V68-V78 HydrophobicContact CG1-CG1 4.14Å; V68-V78 HydrophobicContact CG2-CG2 4.15Å; L71-V78 HydrophobicContact CB-CB 4.04Å; L71-V78 HydrophobicContact CB-CG1 3.79Å; L71-V78 HydrophobicContact CB-CG2 4.21Å; L71-V78 HydrophobicContact CD1-CB 4.32Å; L71-V78 HydrophobicContact CD1-CG2 3.72Å; K72-V78 HydrophobicContact CD-CG1 4.47Å; K72-V78 HydrophobicContact CG-CG1 3.55Å; I76-V78 PolarHBondContact O-N 2.86Å
79T98.7Very high98.5Very high17 Ų1755.2 Ų55.210%0.10432%0.315CS..EExtended strand (participates in β ladder)trans-118.1144.4164.8-62.30000108.8H53 V54 V55 V56 L97H53-T79 PolarHBondContact NE2-OG1 2.9Å; V54-T79 PolarHBondContact O-N 2.98Å; V55-T79 CarbonylContact C-O 3.58Å; V55-T79 VanDerWaalsContact CA-O 3.3Å; V55-T79 WeakPolarHBondContact CA-O 3.37Å; V56-T79 PolarHBondContact N-O 3.28Å; T79-L97 HydrophobicContact CG2-CD2 3.53Å
80G98.5Very high98.4Very high24 Ų2453.9 Ų53.925%0.24730%0.299CS..EExtended strand (participates in β ladder)trans-126139.5178.400000111.8V56 V64V56-G80 WeakPolarHBondContact O-CA 3.31Å; V64-G80 VanDerWaalsContact CG1-CA 3.49Å
81T98.6Very high98.4Very high21 Ų2152.1 Ų52.113%0.12929%0.288CS..EExtended strand (participates in β ladder)trans-147155.6171-171.70000111.8V56 S57 L94 L97V56-T81 PolarHBondContact O-N 3.17Å; V56-T81 VanDerWaalsContact O-N 3.08Å; S57-T81 WeakPolarHBondContact CA-O 3.22Å; S57-T81 VanDerWaalsContact CB-O 3.26Å; S57-T81 WeakPolarHBondContact CB-O 3.39Å; T81-L94 HydrophobicContact CG2-CD1 3.43Å; T81-L94 VanDerWaalsContact CG2-CD1 3.43Å; T81-L97 HydrophobicContact CG2-CD1 4.43Å; T81-L97 HydrophobicContact CG2-CD2 4.26Å
82T98.6Very high98.4Very high54 Ų5457.3 Ų57.333%0.33131%0.313SS..EExtended strand (participates in β ladder)trans-73.7136.7171.251.70000111.3S58 Q61 V64S58-T82 CarbonylContact O-C 3.57Å; S58-T82 WeakPolarHBondContact O-CA 3.33Å; Q61-T82 HydrophobicContact CB-CG2 4.08Å; V64-T82 HydrophobicContact CG2-CG2 4.48Å
83C98.6Very high98.4Very high5 Ų556.9 Ų56.93%0.03431%0.311CS..  trans-149.7122.8171.8-175.40000110.2S58 D90 L94S58-C83 CarbonylContact C-O 3.58Å; S58-C83 PolarHBondContact O-N 3.32Å; C83-D90 PolarHBondContact SG-O 3.48Å; C83-D90 VanDerWaalsContact SG-O 3.33Å; C83-L94 HydrophobicContact CB-CB 4.32Å; C83-L94 HydrophobicContact CB-CD2 4.13Å
84N98.3Very high98.5Very high36 Ų3652.5 Ų52.519%0.19328%0.28CS..  trans-94.2104158-177.4-4.3000109.1R59 G86 K87 D90R59-N84 HydrophobicContact CG-CB 4.05Å; N84-G86 PolarHBondContact O-N 3.4Å; N84-G86 PolarHBondContact OD1-N 3.33Å; N84-G86 VanDerWaalsContact OD1-N 3.17Å; N84-K87 HydrophobicContact CB-CD 4.33Å; N84-K87 HydrophobicContact CB-CG 4.31Å; N84-K87 PolarHBondContact O-N 3.07Å; N84-D90 VanDerWaalsContact CB-OD2 3.26Å; N84-D90 WeakPolarHBondContact CB-OD2 3.46Å; N84-D90 PolarHBondContact N-OD2 2.85Å
85V98.1Very high98.5Very high8 Ų849.5 Ų49.55%0.04827%0.266CS..THydrogen-bonded Turntrans-58.8-19.5-177.3-57.10000114.2T33 K87 R91 A112 V135 A139 L143T33-V85 HydrophobicContact CG2-CG1 3.97Å; V85-K87 PolarHBondContact O-N 2.75Å; V85-R91 VanDerWaalsContact O-CD 3.28Å; V85-R91 WeakPolarHBondContact O-CD 3.18Å; V85-R91 PolarHBondContact O-NH1 3.17Å; V85-A112 HydrophobicContact CB-CB 4.41Å; V85-A112 HydrophobicContact CG1-CB 3.92Å; V85-A112 HydrophobicContact CG2-CB 3.62Å; V85-V135 HydrophobicContact CG2-CG1 3.99Å; V85-A139 HydrophobicContact CB-CB 4.04Å; V85-A139 HydrophobicContact CG2-CB 4Å; V85-A139 WeakPolarHBondContact O-CB 3.49Å; V85-L143 HydrophobicContact CB-CD1 4.17Å; V85-L143 HydrophobicContact CG1-CD1 3.86Å
86G97.2Very high98.5Very high27 Ų2748.6 Ų48.628%0.27825%0.249SC..THydrogen-bonded Turntrans-74-8.5173.500000114.4N84N84-G86 PolarHBondContact O-N 3.4Å; N84-G86 PolarHBondContact OD1-N 3.33Å; N84-G86 VanDerWaalsContact OD1-N 3.17Å
87K98.2Very high98.5Very high122 Ų12249.8 Ų49.853%0.5326%0.255SS..SBendtrans-108.2132.7177.9-65.7-174.5173.3-171.10110.4N84 V85 D90 R91N84-K87 HydrophobicContact CB-CD 4.33Å; N84-K87 HydrophobicContact CB-CG 4.31Å; N84-K87 PolarHBondContact O-N 3.07Å; V85-K87 PolarHBondContact O-N 2.75Å; K87-D90 HydrophobicContact CB-CB 4.09Å; K87-R91 WeakPolarHBondContact O-CG 3.26Å; K87-R91 PolarHBondContact O-N 2.9Å; K87-R91 PolarHBondContact O-NE 3.23Å
88G98.2Very high98.5Very high28 Ų2843.8 Ų43.829%0.28923%0.233SC..Hα-helixtrans-56.4-58178.600000113.1D90 R91 E92G88-D90 VanDerWaalsContact C-N 3.29Å; G88-D90 PolarHBondContact O-N 3.37Å; G88-R91 WeakPolarHBondContact O-CB 3.48Å; G88-R91 PolarHBondContact O-N 2.84Å; G88-E92 PolarHBondContact O-N 3.05Å; G88-E92 VanDerWaalsContact O-N 3.13Å
89E98.4Very high98.5Very high133 Ų13344.9 Ų44.962%0.62124%0.239SC*.Hα-helixtrans-57.4-38-177.4-61.1171.9-160.300113.3R91 E92 K93E89-R91 VanDerWaalsContact C-N 3.3Å; E89-R91 PolarHBondContact O-N 3.36Å; E89-E92 PolarHBondContact O-N 3.45Å; E89-K93 WeakPolarHBondContact O-CB 3.24Å; E89-K93 VanDerWaalsContact O-CG 3.25Å; E89-K93 WeakPolarHBondContact O-CG 3.46Å; E89-K93 PolarHBondContact O-N 3.43Å
90D98.6Very high98.5Very high32 Ų3249.3 Ų49.317%0.17126%0.262CS..Hα-helixtrans-66.1-33.8178.2-75.821.8000111.8C83 N84 K87 G88 L94C83-D90 PolarHBondContact SG-O 3.48Å; C83-D90 VanDerWaalsContact SG-O 3.33Å; N84-D90 VanDerWaalsContact CB-OD2 3.26Å; N84-D90 WeakPolarHBondContact CB-OD2 3.46Å; N84-D90 PolarHBondContact N-OD2 2.85Å; K87-D90 HydrophobicContact CB-CB 4.09Å; G88-D90 VanDerWaalsContact C-N 3.29Å; G88-D90 PolarHBondContact O-N 3.37Å; D90-L94 WeakPolarHBondContact O-CB 3.25Å; D90-L94 PolarHBondContact O-N 2.85Å
91R98.7Very high98.5Very high29 Ų2953.8 Ų53.811%0.10928%0.277CS..Hα-helixtrans-71.3-42.2176.1-65.3176.6-70.6-156.79111.2V85 K87 G88 E89 L94 V95 L142 L143 L146V85-R91 VanDerWaalsContact O-CD 3.28Å; V85-R91 WeakPolarHBondContact O-CD 3.18Å; V85-R91 PolarHBondContact O-NH1 3.17Å; K87-R91 WeakPolarHBondContact O-CG 3.26Å; K87-R91 PolarHBondContact O-N 2.9Å; K87-R91 PolarHBondContact O-NE 3.23Å; G88-R91 WeakPolarHBondContact O-CB 3.48Å; G88-R91 PolarHBondContact O-N 2.84Å; E89-R91 VanDerWaalsContact C-N 3.3Å; E89-R91 PolarHBondContact O-N 3.36Å; R91-L94 PolarHBondContact O-N 3.34Å; R91-V95 WeakPolarHBondContact O-CG2 3.36Å; R91-V95 PolarHBondContact O-N 2.83Å; R91-L142 VanDerWaalsContact NH1-CD1 3.31Å; R91-L143 HydrophobicContact CB-CD2 3.75Å; R91-L143 HydrophobicContact CB-CG 4.4Å; R91-L143 HydrophobicContact CG-CD2 3.72Å; R91-L143 HydrophobicContact CG-CG 3.93Å; R91-L146 HydrophobicContact CB-CD1 3.68Å
92E98.8Very high98.4Very high110 Ų11054 Ų5451%0.51428%0.278SS..Hα-helixtrans-62.4-46.1175.9-70.1167.4-167.100111G88 E89 L94 V95 Q96 L146G88-E92 PolarHBondContact O-N 3.05Å; G88-E92 VanDerWaalsContact O-N 3.13Å; E89-E92 PolarHBondContact O-N 3.45Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 2.92Å; E92-V95 PolarHBondContact O-N 3.32Å; E92-Q96 WeakPolarHBondContact O-CB 3.46Å; E92-Q96 PolarHBondContact O-N 3.41Å; E92-L146 HydrophobicContact CG-CD1 4.24Å; E92-L146 HydrophobicContact CG-CD2 4.24Å
93K98.6Very high98.3Very high122 Ų12254.2 Ų54.253%0.5329%0.292SS..Hα-helixtrans-59.3-41.6174.8-73.2169.4-173.3166.50112.5E89 L97E89-K93 WeakPolarHBondContact O-CB 3.24Å; E89-K93 VanDerWaalsContact O-CG 3.25Å; E89-K93 WeakPolarHBondContact O-CG 3.46Å; E89-K93 PolarHBondContact O-N 3.43Å; K93-L97 WeakPolarHBondContact O-CB 3.38Å; K93-L97 PolarHBondContact O-N 3.42Å
94L98.8Very high98.3Very high0 Ų054.2 Ų54.20%029%0.292CS..Hα-helixtrans-60.8-46.7176.1172.763.2000111.7I31 T33 V55 T81 C83 D90 R91 E92 T98 L143I31-L94 HydrophobicContact CG2-CD1 4.32Å; I31-L94 HydrophobicContact CG2-CD2 3.8Å; I31-L94 HydrophobicContact CG2-CG 4.18Å; T33-L94 HydrophobicContact CG2-CD2 4.24Å; V55-L94 HydrophobicContact CG1-CD1 3.94Å; T81-L94 HydrophobicContact CG2-CD1 3.43Å; T81-L94 VanDerWaalsContact CG2-CD1 3.43Å; C83-L94 HydrophobicContact CB-CB 4.32Å; C83-L94 HydrophobicContact CB-CD2 4.13Å; D90-L94 WeakPolarHBondContact O-CB 3.25Å; D90-L94 PolarHBondContact O-N 2.85Å; R91-L94 PolarHBondContact O-N 3.34Å; E92-L94 VanDerWaalsContact C-N 3.34Å; E92-L94 PolarHBondContact O-N 2.92Å; L94-T98 WeakPolarHBondContact O-CB 3.38Å; L94-T98 PolarHBondContact O-N 2.99Å; L94-T98 VanDerWaalsContact O-N 3.14Å; L94-T98 PolarHBondContact O-OG1 2.97Å; L94-L143 HydrophobicContact CD2-CD2 4.49Å
95V98.8Very high98.3Very high6 Ų652.5 Ų52.54%0.03628%0.283CS..Hα-helixtrans-65.9-49179.21700000110.7I31 R91 E92 L97 T98 V99 I105 L146 V147I31-V95 HydrophobicContact CD1-CG2 4.5Å; R91-V95 WeakPolarHBondContact O-CG2 3.36Å; R91-V95 PolarHBondContact O-N 2.83Å; E92-V95 PolarHBondContact O-N 3.32Å; V95-L97 PolarHBondContact O-N 3.39Å; V95-T98 WeakPolarHBondContact O-CB 3.17Å; V95-T98 PolarHBondContact O-N 3.36Å; V95-T98 VanDerWaalsContact O-N 3.14Å; V95-V99 WeakPolarHBondContact O-CG2 3.4Å; V95-V99 PolarHBondContact O-N 3.3Å; V95-I105 HydrophobicContact CB-CD1 4.45Å; V95-I105 HydrophobicContact CG1-CD1 3.8Å; V95-I105 HydrophobicContact CG2-CD1 4.5Å; V95-L146 HydrophobicContact CG2-CB 4.03Å; V95-V147 HydrophobicContact CG2-CG1 3.96Å
96Q98.7Very high98.3Very high98 Ų9852.2 Ų52.246%0.45828%0.282SS..Hα-helixtrans-60-48.5-179.2-171.959.150.100111.7E92 T98 V99 D100E92-Q96 WeakPolarHBondContact O-CB 3.46Å; E92-Q96 PolarHBondContact O-N 3.41Å; Q96-T98 VanDerWaalsContact C-N 3.26Å; Q96-T98 PolarHBondContact O-N 3.34Å; Q96-V99 PolarHBondContact O-N 2.9Å; Q96-V99 VanDerWaalsContact O-N 3.14Å; Q96-D100 WeakPolarHBondContact CG-OD2 3.5Å; Q96-D100 VanDerWaalsContact NE2-CG 3.27Å; Q96-D100 PolarHBondContact NE2-OD1 3.4Å; Q96-D100 PolarHBondContact NE2-OD2 3.46Å; Q96-D100 VanDerWaalsContact NE2-OD2 3.11Å; Q96-D100 WeakPolarHBondContact O-CB 3.44Å; Q96-D100 PolarHBondContact O-N 3.16Å
97L98.7Very high98.4Very high35 Ų3551 Ų5118%0.18327%0.269CS..Hα-helixtrans-58.7-38.9176.5179.7148.4000112.2T79 T81 K93 V95 Q101T79-L97 HydrophobicContact CG2-CD2 3.53Å; T81-L97 HydrophobicContact CG2-CD1 4.43Å; T81-L97 HydrophobicContact CG2-CD2 4.26Å; K93-L97 WeakPolarHBondContact O-CB 3.38Å; K93-L97 PolarHBondContact O-N 3.42Å; V95-L97 PolarHBondContact O-N 3.39Å; L97-Q101 HydrophobicContact CG-CG 4.44Å; L97-Q101 WeakPolarHBondContact O-CB 3.33Å; L97-Q101 WeakPolarHBondContact O-CG 3.25Å; L97-Q101 PolarHBondContact O-N 3.46Å
98T98.8Very high98.5Very high0 Ų045.2 Ų45.20%024%0.243CC..Hα-helixtrans-64-45.5177.6-57.70000110.9V29 I31 V55 L94 V95 Q96 C102 I105V29-T98 HydrophobicContact CG1-CG2 3.59Å; I31-T98 HydrophobicContact CD1-CG2 4Å; I31-T98 WeakPolarHBondContact CD1-OG1 3.44Å; I31-T98 HydrophobicContact CG1-CG2 3.9Å; V55-T98 HydrophobicContact CG2-CG2 3.71Å; L94-T98 WeakPolarHBondContact O-CB 3.38Å; L94-T98 PolarHBondContact O-N 2.99Å; L94-T98 VanDerWaalsContact O-N 3.14Å; L94-T98 PolarHBondContact O-OG1 2.97Å; V95-T98 WeakPolarHBondContact O-CB 3.17Å; V95-T98 PolarHBondContact O-N 3.36Å; V95-T98 VanDerWaalsContact O-N 3.14Å; Q96-T98 VanDerWaalsContact C-N 3.26Å; Q96-T98 PolarHBondContact O-N 3.34Å; T98-C102 HydrophobicContact CG2-CB 4.38Å; T98-C102 WeakPolarHBondContact O-CA 3.41Å; T98-C102 WeakPolarHBondContact O-CB 3.38Å; T98-C102 PolarHBondContact O-N 3.46Å; T98-I105 HydrophobicContact CG2-CD1 4.31Å; T98-I105 HydrophobicContact CG2-CG1 3.66Å
99V98.4Very high98.5Very high35 Ų3543.9 Ų43.921%0.21223%0.23CC..Hα-helixtrans-63.9-46.5178.3174.70000110.8V95 Q96 Q101 G103 I105 H150V95-V99 WeakPolarHBondContact O-CG2 3.4Å; V95-V99 PolarHBondContact O-N 3.3Å; Q96-V99 PolarHBondContact O-N 2.9Å; Q96-V99 VanDerWaalsContact O-N 3.14Å; V99-Q101 PolarHBondContact O-N 3.35Å; V99-G103 VanDerWaalsContact O-CA 3.23Å; V99-G103 WeakPolarHBondContact O-CA 3.34Å; V99-G103 PolarHBondContact O-N 2.7Å; V99-I105 HydrophobicContact CG2-CD1 4.09Å; V99-I105 HydrophobicContact CG2-CG1 4.32Å; V99-H150 WeakPolarHBondContact CG2-ND1 3.42Å
100D98.4Very high98.5Very high111 Ų11138 Ų3859%0.59420%0.203SC*.Hα-helixtrans-66.3-40.1-176.3-66.1-21.4000112.6Q96Q96-D100 WeakPolarHBondContact CG-OD2 3.5Å; Q96-D100 VanDerWaalsContact NE2-CG 3.27Å; Q96-D100 PolarHBondContact NE2-OD1 3.4Å; Q96-D100 PolarHBondContact NE2-OD2 3.46Å; Q96-D100 VanDerWaalsContact NE2-OD2 3.11Å; Q96-D100 WeakPolarHBondContact O-CB 3.44Å; Q96-D100 PolarHBondContact O-N 3.16Å
101Q98.3Very high98.5Very high118 Ų11837.5 Ų37.555%0.55120%0.201SC*.Hα-helixtrans-94.5-25.4-175-62.2-171.413.200114L97 V99L97-Q101 HydrophobicContact CG-CG 4.44Å; L97-Q101 WeakPolarHBondContact O-CB 3.33Å; L97-Q101 WeakPolarHBondContact O-CG 3.25Å; L97-Q101 PolarHBondContact O-N 3.46Å; V99-Q101 PolarHBondContact O-N 3.35Å
102C98Very high98.5Very high24 Ų2436.7 Ų36.716%0.16220%0.2CC..Hα-helixtrans-117.1-8.4-172.9-44.70000112.9V29 T98 G104V29-C102 HydrophobicContact CB-CB 4.36Å; V29-C102 HydrophobicContact CG1-CB 3.6Å; V29-C102 HydrophobicContact CG2-CB 3.8Å; T98-C102 HydrophobicContact CG2-CB 4.38Å; T98-C102 WeakPolarHBondContact O-CA 3.41Å; T98-C102 WeakPolarHBondContact O-CB 3.38Å; T98-C102 PolarHBondContact O-N 3.46Å; C102-G104 VanDerWaalsContact C-N 3.33Å; C102-G104 PolarHBondContact O-N 3.27Å
103G96.8Very high98.4Very high59 Ų5932.7 Ų32.761%0.60819%0.186SC*.SBendtrans80.42.3173.900000115.7V99V99-G103 VanDerWaalsContact O-CA 3.23Å; V99-G103 WeakPolarHBondContact O-CA 3.34Å; V99-G103 PolarHBondContact O-N 2.7Å
104G97.3Very high98.3Very high5 Ų528.1 Ų28.15%0.05217%0.168CC..  trans166.9-178.6179.700000113.5V29 C102V29-G104 VanDerWaalsContact CB-O 3.31Å; V29-G104 WeakPolarHBondContact CB-O 3.3Å; V29-G104 VanDerWaalsContact CG1-O 3.26Å; V29-G104 WeakPolarHBondContact CG1-O 3.49Å; C102-G104 VanDerWaalsContact C-N 3.33Å; C102-G104 PolarHBondContact O-N 3.27Å
105I98.8Very high98.2Very high0 Ų030.3 Ų30.30%018%0.18CC..  trans-137.3123.6176.7-58.2168.8000107.7I31 V95 T98 V99 V147 H150 M151I31-I105 HydrophobicContact CD1-CD1 3.7Å; I31-I105 HydrophobicContact CD1-CG1 4.07Å; I31-I105 HydrophobicContact CD1-CG2 4.19Å; I31-I105 HydrophobicContact CG1-CG2 4.47Å; V95-I105 HydrophobicContact CB-CD1 4.45Å; V95-I105 HydrophobicContact CG1-CD1 3.8Å; V95-I105 HydrophobicContact CG2-CD1 4.5Å; T98-I105 HydrophobicContact CG2-CD1 4.31Å; T98-I105 HydrophobicContact CG2-CG1 3.66Å; V99-I105 HydrophobicContact CG2-CD1 4.09Å; V99-I105 HydrophobicContact CG2-CG1 4.32Å; I105-V147 HydrophobicContact CD1-CB 4.43Å; I105-V147 HydrophobicContact CD1-CG1 4.11Å; I105-V147 HydrophobicContact CG2-CB 4.14Å; I105-V147 HydrophobicContact CG2-CG1 4.27Å; I105-H150 HydrophobicContact CB-CB 4.15Å; I105-H150 HydrophobicContact CD1-CB 4.13Å; I105-H150 HydrophobicContact CG1-CB 4.33Å; I105-M151 HydrophobicContact CG2-CE 4.07Å; I105-M151 WeakPolarHBondContact O-CA 3.25Å; I105-M151 WeakPolarHBondContact O-CG 3.46Å
106D98.9Very high98Very high3 Ų333.9 Ų33.92%0.01620%0.204CC..  trans-114.9-26.1178.2-54.5-85.8000111.8K28 V29 R154 G157 N158K28-D106 WeakPolarHBondContact CA-OD2 3.16Å; K28-D106 HydrophobicContact CB-CB 4.16Å; K28-D106 HydrophobicContact CD-CB 3.81Å; V29-D106 PolarHBondContact N-OD2 2.86Å; V29-D106 PolarHBondContact O-N 3.48Å; D106-R154 IonicContact OD1-CZ 3.74Å; D106-R154 IonicContact OD1-NE 2.69Å; D106-R154 PolarHBondContact OD1-NE 2.83Å; D106-R154 IonicContact OD1-NH2 3.22Å; D106-R154 PolarHBondContact OD1-NH2 3.08Å; D106-R154 IonicContact OD2-CZ 3.76Å; D106-R154 IonicContact OD2-NE 3.45Å; D106-R154 IonicContact OD2-NH2 3Å; D106-R154 PolarHBondContact OD2-NH2 3.01Å; D106-G157 CarbonylContact O-C 3.52Å; D106-G157 WeakPolarHBondContact O-CA 3.21Å; D106-N158 PolarHBondContact O-N 2.85Å
107I98.9Very high97.8Very high1 Ų130.7 Ų30.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-134.7133.8-175.4-59.8163.6000110.2L25 K28 V29 A30 I31 L47 V109 N158 C251L25-I107 HydrophobicContact CD1-CD1 4.28Å; L25-I107 HydrophobicContact CD2-CD1 4.36Å; K28-I107 HydrophobicContact CB-CD1 4.27Å; V29-I107 PolarHBondContact O-N 3Å; A30-I107 CarbonylContact C-O 3.58Å; A30-I107 WeakPolarHBondContact CA-O 3.35Å; A30-I107 HydrophobicContact CB-CB 3.71Å; A30-I107 HydrophobicContact CB-CD1 4.16Å; A30-I107 HydrophobicContact CB-CG1 4.49Å; A30-I107 HydrophobicContact CB-CG2 3.99Å; I31-I107 PolarHBondContact N-O 3.11Å; L47-I107 HydrophobicContact CD2-CD1 4.27Å; I107-V109 HydrophobicContact CG2-CG2 4.05Å; I107-N158 CarbonylContact C-O 3.57Å; I107-N158 WeakPolarHBondContact CA-O 3.47Å; I107-N158 HydrophobicContact CG1-CB 4.25Å; I107-C251 HydrophobicContact CD1-CB 3.83Å; I107-C251 HydrophobicContact CG1-CB 4.26Å; I107-C251 HydrophobicContact CG2-CB 4.43Å; I107-C251 VanDerWaalsContact CG2-SG 3.53Å
108L98.9Very high97.6Very high0 Ų036 Ų360%021%0.21CC..EExtended strand (participates in β ladder)trans-119.1120.6165.6171.363.7000109.4I31 L143 V147 M151 N158 V159 I160I31-L108 HydrophobicContact CB-CD1 4.28Å; I31-L108 HydrophobicContact CG2-CD1 4.09Å; L108-L143 HydrophobicContact CD2-CB 4.1Å; L108-V147 HydrophobicContact CB-CG2 4.07Å; L108-V147 HydrophobicContact CD2-CG1 4.38Å; L108-V147 HydrophobicContact CD2-CG2 3.71Å; L108-V147 HydrophobicContact CG-CG2 4.47Å; L108-M151 HydrophobicContact CB-CE 3.88Å; L108-N158 PolarHBondContact N-O 2.79Å; L108-V159 HydrophobicContact CB-CG2 4.5Å; L108-V159 HydrophobicContact CD2-CG1 4.39Å; L108-V159 CarbonylContact O-C 3.56Å; L108-V159 WeakPolarHBondContact O-CA 3.3Å; L108-I160 PolarHBondContact O-N 3.32Å
109V98.9Very high97.3Very high0 Ų037.1 Ų37.10%022%0.222CC..EExtended strand (participates in β ladder)trans-106.6101.2166.2-177.10000108.4I31 V32 T33 L47 I107 N111 I160 V162 I247I31-V109 PolarHBondContact O-N 3.19Å; V32-V109 HydrophobicContact CB-CB 4.34Å; V32-V109 HydrophobicContact CG1-CB 3.94Å; V32-V109 HydrophobicContact CG1-CG1 4.03Å; V32-V109 HydrophobicContact CG2-CB 4.17Å; V32-V109 HydrophobicContact CG2-CG2 4.27Å; T33-V109 PolarHBondContact N-O 3.1Å; L47-V109 HydrophobicContact CD1-CG2 3.93Å; I107-V109 HydrophobicContact CG2-CG2 4.05Å; V109-N111 HydrophobicContact CG1-CB 4.27Å; V109-N111 PolarHBondContact O-N 3.35Å; V109-I160 CarbonylContact C-O 3.57Å; V109-I160 WeakPolarHBondContact CA-O 3.35Å; V109-I160 HydrophobicContact CG2-CB 4.35Å; V109-V162 HydrophobicContact CG1-CG2 4.12Å; V109-I247 HydrophobicContact CG1-CD1 4.17Å; V109-I247 HydrophobicContact CG1-CG2 4.15Å; V109-I247 HydrophobicContact CG2-CG2 3.65Å
110S98.8Very high97.2Very high9 Ų939.7 Ų39.76%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-85.192175.8-173.30000109.6A140 I160 V162S110-A140 WeakPolarHBondContact OG-CB 3.43Å; S110-I160 PolarHBondContact N-O 3.05Å; S110-V162 PolarHBondContact O-N 3.19Å
111N98.7Very high97.1Very high22 Ų2237.8 Ų37.812%0.11822%0.223CC..  trans-106.6-22.7-175.3162.882000113.6T33 A34 G40 V109 A113 V162T33-N111 WeakPolarHBondContact O-CB 3.36Å; T33-N111 PolarHBondContact O-ND2 2.88Å; T33-N111 PolarHBondContact OG1-N 3.27Å; A34-N111 PolarHBondContact O-ND2 2.91Å; G40-N111 WeakPolarHBondContact CA-ND2 3.41Å; V109-N111 HydrophobicContact CG1-CB 4.27Å; V109-N111 PolarHBondContact O-N 3.35Å; N111-A113 PolarHBondContact O-N 3.28Å; N111-V162 HydrophobicContact CB-CB 4.23Å; N111-V162 HydrophobicContact CB-CG2 3.74Å
112A97.3Very high97.1Very high12 Ų1239.2 Ų39.210%0.09923%0.234CC..  trans-53.8130.1-178.500000113.1T33 A34 V85T33-A112 PolarHBondContact OG1-N 3.21Å; T33-A112 VanDerWaalsContact OG1-N 3.14Å; A34-A112 HydrophobicContact CB-CB 3.73Å; V85-A112 HydrophobicContact CB-CB 4.41Å; V85-A112 HydrophobicContact CG1-CB 3.92Å; V85-A112 HydrophobicContact CG2-CB 3.62Å
113A96.7Very high97.1Very high27 Ų2743.6 Ų43.622%0.22326%0.256CS..  trans-148.9158.7177.100000111.6N111 N136 F214N111-A113 PolarHBondContact O-N 3.28Å; A113-N136 WeakPolarHBondContact CA-OD1 3.43Å; A113-F214 HydrophobicContact CB-CZ 4.46Å
114V97.4Very high97.1Very high26 Ų2641.8 Ų41.816%0.15823%0.234CC..  trans-134152.2171.2-64.90000110.3K131 V135 N136V114-K131 HydrophobicContact CG2-CG 4.16Å; V114-V135 HydrophobicContact CG1-CG1 4.01Å; V114-V135 HydrophobicContact CG2-CB 3.8Å; V114-V135 HydrophobicContact CG2-CG1 4.01Å; V114-V135 HydrophobicContact CG2-CG2 4.18Å; V114-N136 PolarHBondContact N-OD1 2.86Å; V114-N136 PolarHBondContact O-ND2 3.03Å; V114-N136 PolarHBondContact O-OD1 3.48Å
115N96.3Very high97.1Very high46 Ų4645.2 Ų45.225%0.24625%0.254CS..  trans-144.486.4167.8-177.247.2000109.4F117 L174 Y177 F214N115-F117 PolarHBondContact ND2-O 3.37Å; N115-F117 PolarHBondContact O-N 2.86Å; N115-F117 PolarHBondContact OD1-O 3.35Å; N115-F117 VanDerWaalsContact OD1-O 3.11Å; N115-L174 VanDerWaalsContact ND2-CD2 3.29Å; N115-L174 WeakPolarHBondContact ND2-CD2 3.35Å; N115-Y177 HydrophobicContact CB-CD2 3.93Å; N115-Y177 HydrophobicContact CB-CG 4.31Å; N115-Y177 WeakPolarHBondContact OD1-CB 3.46Å; N115-F214 HydrophobicContact CB-CZ 3.98Å
116P95Very high97.1Very high81 Ų8152.3 Ų52.353%0.52629%0.287SS..  trans-78.50.9179.732.7-36.6000114.2V128 K131 I132P116-V128 HydrophobicContact CG-CG1 4.42Å; P116-V128 HydrophobicContact CG-CG2 4.4Å; P116-K131 HydrophobicContact CG-CG 4.43Å; P116-I132 HydrophobicContact CG-CD1 4.48Å; P116-I132 HydrophobicContact CG-CG1 4.27Å
117F94.5Very high97.1Very high31 Ų3158.2 Ų58.214%0.13632%0.318CS..  trans-130.8139.2-173.2-179.4-99000112.1N115 N120 D123 V128 P176N115-F117 PolarHBondContact ND2-O 3.37Å; N115-F117 PolarHBondContact O-N 2.86Å; N115-F117 PolarHBondContact OD1-O 3.35Å; N115-F117 VanDerWaalsContact OD1-O 3.11Å; F117-N120 WeakPolarHBondContact CE1-O 3.24Å; F117-N120 WeakPolarHBondContact CZ-O 3.46Å; F117-D123 HydrophobicContact CZ-CB 4.32Å; F117-V128 HydrophobicContact CB-CB 4.42Å; F117-V128 HydrophobicContact CB-CG1 3.46Å; F117-V128 VanDerWaalsContact CB-CG1 3.46Å; F117-V128 HydrophobicContact CB-CG2 4.05Å; F117-V128 HydrophobicContact CD2-CG2 4.48Å; F117-V128 HydrophobicContact CG-CG1 4.07Å; F117-P176 HydrophobicContact CD1-CG 4.4Å
118F93.8Very high97.1Very high145 Ų14559 Ų5964%0.63632%0.324SS*.  trans-139.3119.5169.1-175-90.5000108.6G173 L174F118-G173 WeakPolarHBondContact CA-O 3.27Å; F118-L174 HydrophobicContact CD2-CD2 3.72Å; F118-L174 HydrophobicContact CD2-CG 4.38Å; F118-L174 HydrophobicContact CE2-CD2 4.22Å; F118-L174 HydrophobicContact CE2-CG 4.44Å
119G93.9Very high97Very high24 Ų2462.3 Ų62.325%0.24734%0.336CS..SBendtrans157.9-168.7-177.500000113.7I121 G173G119-I121 PolarHBondContact O-N 3.05Å; G119-G173 PolarHBondContact N-O 3.4Å; G119-G173 CarbonylContact O-C 3.51Å; G119-G173 WeakPolarHBondContact O-CA 3.41Å
120N95.9Very high97Very high90 Ų9066.9 Ų66.948%0.48136%0.361SS..  trans-62.2129.6172.9-176.7-15.7000109.2F117 L122 D123F117-N120 WeakPolarHBondContact CE1-O 3.24Å; F117-N120 WeakPolarHBondContact CZ-O 3.46Å; N120-L122 PolarHBondContact O-N 3.29Å; N120-L122 VanDerWaalsContact O-N 3.1Å; N120-L122 PolarHBondContact OD1-N 3.43Å; N120-L122 VanDerWaalsContact OD1-N 3.08Å; N120-D123 WeakPolarHBondContact CB-OD2 3.33Å; N120-D123 PolarHBondContact O-N 2.94Å
121I96.6Very high97Very high71 Ų7170.9 Ų70.936%0.36438%0.377SS..G310 helixtrans-55.2-31.8-178.8-170.7170.5000112.6G119 D123 S124 W129 P176G119-I121 PolarHBondContact O-N 3.05Å; I121-D123 PolarHBondContact O-N 3.01Å; I121-S124 WeakPolarHBondContact O-CB 3.35Å; I121-S124 PolarHBondContact O-N 3Å; I121-S124 PolarHBondContact O-OG 3.23Å; I121-W129 HydrophobicContact CD1-CH2 4.29Å; I121-W129 HydrophobicContact CD1-CZ2 4Å; I121-W129 HydrophobicContact CG1-CZ2 4.05Å; I121-P176 HydrophobicContact CG1-CG 4.22Å
122L97.3Very high97Very high148 Ų14869.9 Ų69.978%0.77537%0.371SS*.G310 helixtrans-69.9-17.6179.7-60.1-178.5000113.6N120N120-L122 PolarHBondContact O-N 3.29Å; N120-L122 VanDerWaalsContact O-N 3.1Å; N120-L122 PolarHBondContact OD1-N 3.43Å; N120-L122 VanDerWaalsContact OD1-N 3.08Å
123D97.6Very high97Very high115 Ų11572.4 Ų72.462%0.61538%0.383SS*.G310 helixtrans-92.40177.4-56.2-31.3000112.2F117 N120 I121F117-D123 HydrophobicContact CZ-CB 4.32Å; N120-D123 WeakPolarHBondContact CB-OD2 3.33Å; N120-D123 PolarHBondContact O-N 2.94Å; I121-D123 PolarHBondContact O-N 3.01Å
124S97.3Very high97.1Very high21 Ų2173.3 Ų73.315%0.14739%0.387CS..  trans-74.3141.3178.364.50000111.5I121 W129I121-S124 WeakPolarHBondContact O-CB 3.35Å; I121-S124 PolarHBondContact O-N 3Å; I121-S124 PolarHBondContact O-OG 3.23Å; S124-W129 PolarHBondContact OG-NE1 3.33Å
125T98.2Very high97.2Very high77 Ų7772.4 Ų72.447%0.47238%0.382SS..  trans-88.3161.4179.667.30000111.8D127 V128 W129T125-D127 VanDerWaalsContact C-N 3.3Å; T125-D127 PolarHBondContact O-N 2.82Å; T125-V128 WeakPolarHBondContact O-CB 3.32Å; T125-V128 PolarHBondContact O-N 2.98Å; T125-V128 VanDerWaalsContact O-N 3.11Å; T125-V128 PolarHBondContact OG1-N 2.83Å; T125-W129 VanDerWaalsContact O-CD1 3.31Å; T125-W129 PolarHBondContact O-N 2.93Å
126E98.4Very high97.3Very high149 Ų14970.4 Ų70.470%0.69637%0.371SS*.Hα-helixtrans-53.8-45.7171.2-173.6172.8178.900111.9V128 W129 D130E126-V128 VanDerWaalsContact C-N 3.25Å; E126-V128 PolarHBondContact O-N 2.86Å; E126-W129 WeakPolarHBondContact O-CA 3.11Å; E126-W129 WeakPolarHBondContact O-CB 3.43Å; E126-W129 PolarHBondContact O-N 3.44Å; E126-D130 PolarHBondContact O-N 3.05Å
127D98.4Very high97.5Very high127 Ų12767.8 Ų67.868%0.67935%0.354SS*.Hα-helixtrans-55.8-36.6176.1-71.4-26.8000113.6T125 K131T125-D127 VanDerWaalsContact C-N 3.3Å; T125-D127 PolarHBondContact O-N 2.82Å; D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 PolarHBondContact O-N 3.03Å
128V98.1Very high97.7Very high19 Ų1972.5 Ų72.512%0.11537%0.374CS..Hα-helixtrans-65.2-47175.5162.70000110.1P116 F117 T125 E126 K131 I132 P176P116-V128 HydrophobicContact CG-CG1 4.42Å; P116-V128 HydrophobicContact CG-CG2 4.4Å; F117-V128 HydrophobicContact CB-CB 4.42Å; F117-V128 HydrophobicContact CB-CG1 3.46Å; F117-V128 VanDerWaalsContact CB-CG1 3.46Å; F117-V128 HydrophobicContact CB-CG2 4.05Å; F117-V128 HydrophobicContact CD2-CG2 4.48Å; F117-V128 HydrophobicContact CG-CG1 4.07Å; T125-V128 WeakPolarHBondContact O-CB 3.32Å; T125-V128 PolarHBondContact O-N 2.98Å; T125-V128 VanDerWaalsContact O-N 3.11Å; T125-V128 PolarHBondContact OG1-N 2.83Å; E126-V128 VanDerWaalsContact C-N 3.25Å; E126-V128 PolarHBondContact O-N 2.86Å; V128-K131 PolarHBondContact O-N 2.86Å; V128-I132 HydrophobicContact CG1-CD1 3.78Å; V128-I132 WeakPolarHBondContact O-CB 3.43Å; V128-I132 WeakPolarHBondContact O-CG1 3.26Å; V128-I132 PolarHBondContact O-N 3.14Å; V128-P176 HydrophobicContact CG1-CG 4.46Å
129W98.4Very high97.9Very high69 Ų6965.6 Ų65.626%0.26134%0.344SS..Hα-helixtrans-60.8-50.6177.4-80.599.8000111.8I121 S124 T125 E126 K131 I132 L133 P176 V179I121-W129 HydrophobicContact CD1-CH2 4.29Å; I121-W129 HydrophobicContact CD1-CZ2 4Å; I121-W129 HydrophobicContact CG1-CZ2 4.05Å; S124-W129 PolarHBondContact OG-NE1 3.33Å; T125-W129 VanDerWaalsContact O-CD1 3.31Å; T125-W129 PolarHBondContact O-N 2.93Å; E126-W129 WeakPolarHBondContact O-CA 3.11Å; E126-W129 WeakPolarHBondContact O-CB 3.43Å; E126-W129 PolarHBondContact O-N 3.44Å; W129-K131 VanDerWaalsContact C-N 3.3Å; W129-K131 PolarHBondContact O-N 2.87Å; W129-I132 PolarHBondContact O-N 3.16Å; W129-L133 HydrophobicContact CE3-CD1 4.14Å; W129-L133 HydrophobicContact CE3-CG 4.39Å; W129-L133 WeakPolarHBondContact O-CB 3.34Å; W129-L133 WeakPolarHBondContact O-CG 3.47Å; W129-L133 PolarHBondContact O-N 3.1Å; W129-P176 HydrophobicContact CD2-CB 4.01Å; W129-P176 HydrophobicContact CD2-CG 4.37Å; W129-P176 HydrophobicContact CE3-CB 4.05Å; W129-P176 HydrophobicContact CH2-CB 3.96Å; W129-P176 HydrophobicContact CH2-CG 4.24Å; W129-P176 HydrophobicContact CZ2-CB 3.89Å; W129-P176 HydrophobicContact CZ2-CG 3.73Å; W129-P176 HydrophobicContact CZ3-CB 4.03Å; W129-V179 HydrophobicContact CH2-CB 4.21Å; W129-V179 HydrophobicContact CH2-CG1 4.36Å; W129-V179 HydrophobicContact CH2-CG2 4.12Å; W129-V179 HydrophobicContact CZ3-CB 4.11Å; W129-V179 HydrophobicContact CZ3-CG1 3.99Å
130D98.5Very high98.1Very high96 Ų9664.5 Ų64.551%0.51333%0.333SS..Hα-helixtrans-57.1-46.4178.3-84.9-3.9000111.2E126 I132 S134E126-D130 PolarHBondContact O-N 3.05Å; D130-I132 PolarHBondContact O-N 3.41Å; D130-S134 WeakPolarHBondContact O-CB 3.45Å; D130-S134 PolarHBondContact O-N 3.06Å
131K98.3Very high98.3Very high93 Ų9364.3 Ų64.340%0.40433%0.328SS..Hα-helixtrans-63.4-46.3-179.8-174.456.9172-173.70111.9V114 P116 D127 V128 W129 V135V114-K131 HydrophobicContact CG2-CG 4.16Å; P116-K131 HydrophobicContact CG-CG 4.43Å; D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 PolarHBondContact O-N 3.03Å; V128-K131 PolarHBondContact O-N 2.86Å; W129-K131 VanDerWaalsContact C-N 3.3Å; W129-K131 PolarHBondContact O-N 2.87Å; K131-V135 HydrophobicContact CD-CG2 4.16Å; K131-V135 WeakPolarHBondContact O-CB 3.39Å; K131-V135 WeakPolarHBondContact O-CG2 3.35Å; K131-V135 PolarHBondContact O-N 3.02Å; K131-V135 VanDerWaalsContact O-N 3.16Å
132I98.4Very high98.4Very high0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-65.6-51.2-178.8-76.3172.2000110.6P116 V128 W129 D130 V135 N136 P176 S180P116-I132 HydrophobicContact CG-CD1 4.48Å; P116-I132 HydrophobicContact CG-CG1 4.27Å; V128-I132 HydrophobicContact CG1-CD1 3.78Å; V128-I132 WeakPolarHBondContact O-CB 3.43Å; V128-I132 WeakPolarHBondContact O-CG1 3.26Å; V128-I132 PolarHBondContact O-N 3.14Å; W129-I132 PolarHBondContact O-N 3.16Å; D130-I132 PolarHBondContact O-N 3.41Å; I132-V135 PolarHBondContact O-N 3.11Å; I132-N136 WeakPolarHBondContact O-CB 3.34Å; I132-N136 VanDerWaalsContact O-CG 3.29Å; I132-N136 PolarHBondContact O-N 2.9Å; I132-P176 HydrophobicContact CD1-CB 3.7Å; I132-S180 VanDerWaalsContact CG2-CB 3.44Å
133L98.6Very high98.5Very high65 Ų6555.9 Ų55.934%0.3428%0.284SS..Hα-helixtrans-68.4-39.1-177.3-66.6177.6000111.8W129 V135 V137 K138W129-L133 HydrophobicContact CE3-CD1 4.14Å; W129-L133 HydrophobicContact CE3-CG 4.39Å; W129-L133 WeakPolarHBondContact O-CB 3.34Å; W129-L133 WeakPolarHBondContact O-CG 3.47Å; W129-L133 PolarHBondContact O-N 3.1Å; L133-V135 PolarHBondContact O-N 2.98Å; L133-V137 HydrophobicContact CD2-CG2 4.13Å; L133-V137 WeakPolarHBondContact O-CB 3.3Å; L133-V137 PolarHBondContact O-N 3Å; L133-V137 VanDerWaalsContact O-N 3.13Å; L133-K138 PolarHBondContact O-N 3.42Å
134S98.5Very high98.5Very high46 Ų4650.6 Ų50.632%0.32226%0.256SS..Iπ-helixtrans-60.6-45.2177.3-177.80000111.9D130 A139D130-S134 WeakPolarHBondContact O-CB 3.45Å; D130-S134 PolarHBondContact O-N 3.06Å; S134-A139 WeakPolarHBondContact O-CB 3.41Å; S134-A139 PolarHBondContact O-N 3.26Å
135V98.5Very high98.6Very high8 Ų856.4 Ų56.45%0.04828%0.278CS..Iπ-helixtrans-84.9-45.4-176.7175.30000112.6V85 V114 K131 I132 L133 A139V85-V135 HydrophobicContact CG2-CG1 3.99Å; V114-V135 HydrophobicContact CG1-CG1 4.01Å; V114-V135 HydrophobicContact CG2-CB 3.8Å; V114-V135 HydrophobicContact CG2-CG1 4.01Å; V114-V135 HydrophobicContact CG2-CG2 4.18Å; K131-V135 HydrophobicContact CD-CG2 4.16Å; K131-V135 WeakPolarHBondContact O-CB 3.39Å; K131-V135 WeakPolarHBondContact O-CG2 3.35Å; K131-V135 PolarHBondContact O-N 3.02Å; K131-V135 VanDerWaalsContact O-N 3.16Å; I132-V135 PolarHBondContact O-N 3.11Å; L133-V135 PolarHBondContact O-N 2.98Å; V135-A139 WeakPolarHBondContact O-CB 3.49Å
136N98.6Very high98.6Very high3 Ų355.2 Ų55.22%0.01627%0.269CS..Iπ-helixtrans-82-27.4-170.4-60.61.4000112.3A113 V114 I132 S180 L184A113-N136 WeakPolarHBondContact CA-OD1 3.43Å; V114-N136 PolarHBondContact N-OD1 2.86Å; V114-N136 PolarHBondContact O-ND2 3.03Å; V114-N136 PolarHBondContact O-OD1 3.48Å; I132-N136 WeakPolarHBondContact O-CB 3.34Å; I132-N136 VanDerWaalsContact O-CG 3.29Å; I132-N136 PolarHBondContact O-N 2.9Å; N136-S180 PolarHBondContact ND2-OG 3.03Å; N136-L184 WeakPolarHBondContact O-CD2 3.18Å
137V98.8Very high98.6Very high27 Ų2748.1 Ų48.116%0.16424%0.236CC..Iπ-helixtrans-117.9-63.1-172.7-1710000111.3L133 A139 A140 F141 S180 A183L133-V137 HydrophobicContact CD2-CG2 4.13Å; L133-V137 WeakPolarHBondContact O-CB 3.3Å; L133-V137 PolarHBondContact O-N 3Å; L133-V137 VanDerWaalsContact O-N 3.13Å; V137-A139 VanDerWaalsContact C-N 3.33Å; V137-A139 PolarHBondContact O-N 3.13Å; V137-A140 WeakPolarHBondContact O-CB 3.45Å; V137-A140 PolarHBondContact O-N 3.36Å; V137-A140 VanDerWaalsContact O-N 3.09Å; V137-F141 PolarHBondContact O-N 3.33Å; V137-F141 VanDerWaalsContact O-N 3.16Å; V137-S180 WeakPolarHBondContact CG2-O 3.21Å; V137-A183 HydrophobicContact CG1-CB 3.99Å; V137-A183 HydrophobicContact CG2-CB 3.84Å
138K98.8Very high98.7Very high129 Ų12942.8 Ų42.856%0.56121%0.208SC*.Iπ-helixtrans-61-42.3-174.5-177.5179.2179.5175.10111.5L133 A140 F141 L142L133-K138 PolarHBondContact O-N 3.42Å; K138-A140 VanDerWaalsContact C-N 3.31Å; K138-A140 PolarHBondContact O-N 2.79Å; K138-F141 PolarHBondContact O-N 3.1Å; K138-L142 HydrophobicContact CD-CD1 4.4Å; K138-L142 HydrophobicContact CG-CD1 3.77Å; K138-L142 HydrophobicContact CG-CG 4.35Å; K138-L142 WeakPolarHBondContact O-CB 3.37Å; K138-L142 VanDerWaalsContact O-CG 3.3Å; K138-L142 WeakPolarHBondContact O-CG 3.37Å; K138-L142 PolarHBondContact O-N 3.01Å
139A98.7Very high98.7Very high1 Ų144.6 Ų44.61%0.00822%0.22CC..Hα-helixtrans-64.7-34.7177.500000113.3V85 S134 V135 V137 L142 L143V85-A139 HydrophobicContact CB-CB 4.04Å; V85-A139 HydrophobicContact CG2-CB 4Å; V85-A139 WeakPolarHBondContact O-CB 3.49Å; S134-A139 WeakPolarHBondContact O-CB 3.41Å; S134-A139 PolarHBondContact O-N 3.26Å; V135-A139 WeakPolarHBondContact O-CB 3.49Å; V137-A139 VanDerWaalsContact C-N 3.33Å; V137-A139 PolarHBondContact O-N 3.13Å; A139-L142 PolarHBondContact O-N 2.97Å; A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 WeakPolarHBondContact O-CG 3.48Å; A139-L143 PolarHBondContact O-N 2.84Å
140A98.8Very high98.7Very high1 Ų143.2 Ų43.21%0.00822%0.217CC..Hα-helixtrans-63.9-49.1176.800000110.9S110 V137 K138 L143 T144 F161 L184 L187S110-A140 WeakPolarHBondContact OG-CB 3.43Å; V137-A140 WeakPolarHBondContact O-CB 3.45Å; V137-A140 PolarHBondContact O-N 3.36Å; V137-A140 VanDerWaalsContact O-N 3.09Å; K138-A140 VanDerWaalsContact C-N 3.31Å; K138-A140 PolarHBondContact O-N 2.79Å; A140-L143 PolarHBondContact O-N 3Å; A140-T144 PolarHBondContact O-N 2.84Å; A140-T144 PolarHBondContact O-OG1 3.3Å; A140-T144 VanDerWaalsContact O-OG1 3.08Å; A140-F161 HydrophobicContact CB-CD1 3.85Å; A140-F161 HydrophobicContact CB-CE1 3.7Å; A140-L184 HydrophobicContact CB-CD2 3.96Å; A140-L187 HydrophobicContact CB-CD2 4.42Å
141F98.9Very high98.7Very high86 Ų8638.7 Ų38.738%0.37719%0.192SC..Hα-helixtrans-59-48.3174.2168.3-106.4000112.5V137 K138 L143 T144 K145 L187 L191V137-F141 PolarHBondContact O-N 3.33Å; V137-F141 VanDerWaalsContact O-N 3.16Å; K138-F141 PolarHBondContact O-N 3.1Å; F141-L143 VanDerWaalsContact C-N 3.35Å; F141-L143 PolarHBondContact O-N 3.1Å; F141-T144 WeakPolarHBondContact O-CB 3.31Å; F141-T144 PolarHBondContact O-N 3.21Å; F141-T144 VanDerWaalsContact O-N 3.16Å; F141-K145 PolarHBondContact O-N 3.19Å; F141-L187 HydrophobicContact CB-CD1 4.25Å; F141-L187 HydrophobicContact CB-CD2 4.07Å; F141-L187 HydrophobicContact CD2-CD1 4.17Å; F141-L191 HydrophobicContact CD2-CD2 4.39Å; F141-L191 HydrophobicContact CE2-CD2 4.37Å
142L98.9Very high98.7Very high41 Ų4138.4 Ų38.422%0.21519%0.192CC..Hα-helixtrans-67.5-34.5-176.9-70.8175000112.5R91 K138 A139 K145 L146R91-L142 VanDerWaalsContact NH1-CD1 3.31Å; K138-L142 HydrophobicContact CD-CD1 4.4Å; K138-L142 HydrophobicContact CG-CD1 3.77Å; K138-L142 HydrophobicContact CG-CG 4.35Å; K138-L142 WeakPolarHBondContact O-CB 3.37Å; K138-L142 VanDerWaalsContact O-CG 3.3Å; K138-L142 WeakPolarHBondContact O-CG 3.37Å; K138-L142 PolarHBondContact O-N 3.01Å; A139-L142 PolarHBondContact O-N 2.97Å; L142-K145 PolarHBondContact O-N 3.48Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 3.2Å; L142-L146 VanDerWaalsContact O-N 3.13Å
143L98.8Very high98.7Very high1 Ų146.5 Ų46.51%0.00523%0.227CC..Hα-helixtrans-64.4-44.6169.8-85.2167.3000111.5T33 V85 R91 L94 L108 A139 A140 F141 K145 L146 V147T33-L143 HydrophobicContact CG2-CD1 3.79Å; V85-L143 HydrophobicContact CB-CD1 4.17Å; V85-L143 HydrophobicContact CG1-CD1 3.86Å; R91-L143 HydrophobicContact CB-CD2 3.75Å; R91-L143 HydrophobicContact CB-CG 4.4Å; R91-L143 HydrophobicContact CG-CD2 3.72Å; R91-L143 HydrophobicContact CG-CG 3.93Å; L94-L143 HydrophobicContact CD2-CD2 4.49Å; L108-L143 HydrophobicContact CD2-CB 4.1Å; A139-L143 WeakPolarHBondContact O-CB 3.44Å; A139-L143 WeakPolarHBondContact O-CG 3.48Å; A139-L143 PolarHBondContact O-N 2.84Å; A140-L143 PolarHBondContact O-N 3Å; F141-L143 VanDerWaalsContact C-N 3.35Å; F141-L143 PolarHBondContact O-N 3.1Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.25Å; L143-L146 PolarHBondContact O-N 3Å; L143-L146 VanDerWaalsContact O-N 3.1Å; L143-V147 PolarHBondContact O-N 3.1Å
144T98.9Very high98.7Very high3 Ų348.7 Ų48.72%0.01823%0.231CC..Hα-helixtrans-56.3-47.7174.9-60.30000110.9A140 F141 L146 V147 V148 V159 F161 L191 L195A140-T144 PolarHBondContact O-N 2.84Å; A140-T144 PolarHBondContact O-OG1 3.3Å; A140-T144 VanDerWaalsContact O-OG1 3.08Å; F141-T144 WeakPolarHBondContact O-CB 3.31Å; F141-T144 PolarHBondContact O-N 3.21Å; F141-T144 VanDerWaalsContact O-N 3.16Å; T144-L146 PolarHBondContact O-N 2.96Å; T144-V147 WeakPolarHBondContact O-CG2 3.39Å; T144-V147 PolarHBondContact O-N 2.95Å; T144-V147 VanDerWaalsContact O-N 3.16Å; T144-V148 HydrophobicContact CG2-CG2 3.92Å; T144-V148 WeakPolarHBondContact O-CG2 3.37Å; T144-V148 PolarHBondContact O-N 3.18Å; T144-V159 HydrophobicContact CG2-CG1 4.28Å; T144-V159 HydrophobicContact CG2-CG2 4.03Å; T144-F161 WeakPolarHBondContact OG1-CZ 3.36Å; T144-L191 HydrophobicContact CG2-CD1 4.12Å; T144-L195 HydrophobicContact CG2-CD1 3.94Å
145K98.8Very high98.6Very high143 Ų14348.9 Ų48.962%0.62224%0.24SC*.Hα-helixtrans-55.5-39176.3-177.8176.3178.91770112.8F141 L142 L143 P149F141-K145 PolarHBondContact O-N 3.19Å; L142-K145 PolarHBondContact O-N 3.48Å; L143-K145 VanDerWaalsContact C-N 3.31Å; L143-K145 PolarHBondContact O-N 3.25Å; K145-P149 WeakPolarHBondContact O-CD 3.12Å
146L98.9Very high98.6Very high52 Ų5248.9 Ų48.927%0.27224%0.242SC..Hα-helixtrans-72.8-36.1179.3-70.2169.8000112.9R91 E92 V95 L142 L143 T144 H150R91-L146 HydrophobicContact CB-CD1 3.68Å; E92-L146 HydrophobicContact CG-CD1 4.24Å; E92-L146 HydrophobicContact CG-CD2 4.24Å; V95-L146 HydrophobicContact CG2-CB 4.03Å; L142-L146 WeakPolarHBondContact O-CG 3.43Å; L142-L146 PolarHBondContact O-N 3.2Å; L142-L146 VanDerWaalsContact O-N 3.13Å; L143-L146 PolarHBondContact O-N 3Å; L143-L146 VanDerWaalsContact O-N 3.1Å; T144-L146 PolarHBondContact O-N 2.96Å; L146-H150 PolarHBondContact O-CD2 3.42Å
147V98.9Very high98.6Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-84.1-26.8-176.5-57.70000113.9I31 V95 I105 L108 L143 T144 H150 M151I31-V147 HydrophobicContact CD1-CG1 4.29Å; V95-V147 HydrophobicContact CG2-CG1 3.96Å; I105-V147 HydrophobicContact CD1-CB 4.43Å; I105-V147 HydrophobicContact CD1-CG1 4.11Å; I105-V147 HydrophobicContact CG2-CB 4.14Å; I105-V147 HydrophobicContact CG2-CG1 4.27Å; L108-V147 HydrophobicContact CB-CG2 4.07Å; L108-V147 HydrophobicContact CD2-CG1 4.38Å; L108-V147 HydrophobicContact CD2-CG2 3.71Å; L108-V147 HydrophobicContact CG-CG2 4.47Å; L143-V147 PolarHBondContact O-N 3.1Å; T144-V147 WeakPolarHBondContact O-CG2 3.39Å; T144-V147 PolarHBondContact O-N 2.95Å; T144-V147 VanDerWaalsContact O-N 3.16Å; V147-H150 WeakPolarHBondContact O-CA 3.35Å; V147-H150 WeakPolarHBondContact O-CB 3.41Å; V147-H150 PolarHBondContact O-N 2.75Å; V147-M151 HydrophobicContact CB-CE 4.27Å; V147-M151 HydrophobicContact CG2-CE 3.77Å; V147-M151 HydrophobicContact CG2-SD 4.14Å; V147-M151 PolarHBondContact O-N 3.32Å
148V98.8Very high98.6Very high15 Ų1548.7 Ų48.79%0.09124%0.242CC..Hα-helixtrans-54.1-47.6-175.2161.50000112.8T144 H150 M151 E152 L195 I200T144-V148 HydrophobicContact CG2-CG2 3.92Å; T144-V148 WeakPolarHBondContact O-CG2 3.37Å; T144-V148 PolarHBondContact O-N 3.18Å; V148-H150 PolarHBondContact O-N 3.43Å; V148-H150 VanDerWaalsContact O-N 3.11Å; V148-M151 PolarHBondContact O-N 3.25Å; V148-E152 HydrophobicContact CG1-CG 4.37Å; V148-E152 WeakPolarHBondContact O-CG 3.5Å; V148-E152 PolarHBondContact O-N 3.5Å; V148-L195 HydrophobicContact CG1-CD2 4.08Å; V148-L195 HydrophobicContact CG2-CD1 3.73Å; V148-L195 HydrophobicContact CG2-CD2 3.91Å; V148-L195 HydrophobicContact CG2-CG 4.5Å; V148-I200 HydrophobicContact CB-CD1 4.38Å; V148-I200 HydrophobicContact CG1-CD1 4.02Å; V148-I200 HydrophobicContact CG2-CD1 4.1Å
149P98.7Very high98.6Very high58 Ų5842.6 Ų42.638%0.37722%0.215SC..Hα-helixtrans-60-26.5177.7-25.935.5000114.1K145 K153K145-P149 WeakPolarHBondContact O-CD 3.12Å; P149-K153 WeakPolarHBondContact O-CG 3.31Å; P149-K153 PolarHBondContact O-N 3.18Å
150H98.7Very high98.6Very high40 Ų4042.5 Ų42.519%0.18522%0.215CC..Hα-helixtrans-82.4-34.9176.7-61.3-76.5000112.1V99 I105 L146 V147 V148 R154V99-H150 WeakPolarHBondContact CG2-ND1 3.42Å; I105-H150 HydrophobicContact CB-CB 4.15Å; I105-H150 HydrophobicContact CD1-CB 4.13Å; I105-H150 HydrophobicContact CG1-CB 4.33Å; L146-H150 PolarHBondContact O-CD2 3.42Å; V147-H150 WeakPolarHBondContact O-CA 3.35Å; V147-H150 WeakPolarHBondContact O-CB 3.41Å; V147-H150 PolarHBondContact O-N 2.75Å; V148-H150 PolarHBondContact O-N 3.43Å; V148-H150 VanDerWaalsContact O-N 3.11Å; H150-R154 VanDerWaalsContact O-CG 3.25Å; H150-R154 WeakPolarHBondContact O-CG 3.45Å; H150-R154 PolarHBondContact O-N 3.35Å
151M98.8Very high98.6Very high0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-65.8-40.4172-69.4177.5175.200111.3I105 L108 V147 V148 K153 R154 G155 G156 N158 V159 I200I105-M151 HydrophobicContact CG2-CE 4.07Å; I105-M151 WeakPolarHBondContact O-CA 3.25Å; I105-M151 WeakPolarHBondContact O-CG 3.46Å; L108-M151 HydrophobicContact CB-CE 3.88Å; V147-M151 HydrophobicContact CB-CE 4.27Å; V147-M151 HydrophobicContact CG2-CE 3.77Å; V147-M151 HydrophobicContact CG2-SD 4.14Å; V147-M151 PolarHBondContact O-N 3.32Å; V148-M151 PolarHBondContact O-N 3.25Å; M151-K153 PolarHBondContact O-N 2.89Å; M151-R154 CarbonylContact O-C 3.58Å; M151-R154 WeakPolarHBondContact O-CA 3.4Å; M151-R154 WeakPolarHBondContact O-CB 3.2Å; M151-R154 PolarHBondContact O-N 3.08Å; M151-G155 PolarHBondContact O-N 2.89Å; M151-G155 VanDerWaalsContact O-N 3.14Å; M151-G156 PolarHBondContact O-N 2.79Å; M151-G156 VanDerWaalsContact O-O 3.12Å; M151-N158 WeakPolarHBondContact CE-O 3.28Å; M151-V159 HydrophobicContact CE-CG2 4.19Å; M151-V159 HydrophobicContact SD-CG2 4.18Å; M151-I200 HydrophobicContact CB-CD1 3.71Å; M151-I200 HydrophobicContact CB-CG1 4.04Å; M151-I200 HydrophobicContact SD-CD1 4.24Å; M151-I200 HydrophobicContact SD-CG1 4.38Å; M151-I200 HydrophobicContact SD-CG2 4.19Å
152E98.5Very high98.6Very high87 Ų8738.6 Ų38.641%0.40720%0.198SC..Hα-helixtrans-58.7-45.7175.5-77.5172.7167.100112.2V148 R154 G155 S198 I200V148-E152 HydrophobicContact CG1-CG 4.37Å; V148-E152 WeakPolarHBondContact O-CG 3.5Å; V148-E152 PolarHBondContact O-N 3.5Å; E152-R154 PolarHBondContact O-N 3.19Å; E152-R154 VanDerWaalsContact O-N 3.17Å; E152-G155 PolarHBondContact O-N 2.96Å; E152-S198 WeakPolarHBondContact OE1-CB 3.46Å; E152-S198 PolarHBondContact OE1-OG 3.19Å; E152-I200 HydrophobicContact CG-CD1 4.4Å
153K98.3Very high98.6Very high170 Ų17036.9 Ų36.974%0.73919%0.189SC*.Hα-helixtrans-61.1-23.8174.5-71.4172-176.3178.70113.1P149 M151P149-K153 WeakPolarHBondContact O-CG 3.31Å; P149-K153 PolarHBondContact O-N 3.18Å; M151-K153 PolarHBondContact O-N 2.89Å
154R97.5Very high98.6Very high112 Ų11237.5 Ų37.542%0.42319%0.194SC..THydrogen-bonded Turntrans-90.8-0.9176.5-66.1-74.7-67.3-175.9-7.5113G27 D106 H150 M151 E152G27-R154 PolarHBondContact O-NH2 3.12Å; D106-R154 IonicContact OD1-CZ 3.74Å; D106-R154 IonicContact OD1-NE 2.69Å; D106-R154 PolarHBondContact OD1-NE 2.83Å; D106-R154 IonicContact OD1-NH2 3.22Å; D106-R154 PolarHBondContact OD1-NH2 3.08Å; D106-R154 IonicContact OD2-CZ 3.76Å; D106-R154 IonicContact OD2-NE 3.45Å; D106-R154 IonicContact OD2-NH2 3Å; D106-R154 PolarHBondContact OD2-NH2 3.01Å; H150-R154 VanDerWaalsContact O-CG 3.25Å; H150-R154 WeakPolarHBondContact O-CG 3.45Å; H150-R154 PolarHBondContact O-N 3.35Å; M151-R154 CarbonylContact O-C 3.58Å; M151-R154 WeakPolarHBondContact O-CA 3.4Å; M151-R154 WeakPolarHBondContact O-CB 3.2Å; M151-R154 PolarHBondContact O-N 3.08Å; E152-R154 PolarHBondContact O-N 3.19Å; E152-R154 VanDerWaalsContact O-N 3.17Å
155G97.6Very high98.4Very high49 Ų4937.4 Ų37.451%0.50519%0.193SC..THydrogen-bonded Turntrans82.814.7179.800000114.4M151 E152 N199M151-G155 PolarHBondContact O-N 2.89Å; M151-G155 VanDerWaalsContact O-N 3.14Å; E152-G155 PolarHBondContact O-N 2.96Å; G155-N199 PolarHBondContact O-ND2 3.16Å
156G98.3Very high98.2Very high9 Ų930.6 Ų30.69%0.09316%0.164CC..  trans139-177.6179.200000113.3M151 S198 N199M151-G156 PolarHBondContact O-N 2.79Å; M151-G156 VanDerWaalsContact O-O 3.12Å; G156-S198 WeakPolarHBondContact CA-O 3.33Å; G156-N199 WeakPolarHBondContact CA-O 3.34Å
157G98.5Very high98.1Very high8 Ų828.3 Ų28.38%0.08215%0.153CC..EExtended strand (participates in β ladder)trans-179.4-171.6-177.700000114.8D106 N199 I200 R201D106-G157 CarbonylContact O-C 3.52Å; D106-G157 WeakPolarHBondContact O-CA 3.21Å; G157-N199 PolarHBondContact N-O 2.8Å; G157-N199 VanDerWaalsContact N-O 3.09Å; G157-I200 VanDerWaalsContact O-CA 3.31Å; G157-I200 WeakPolarHBondContact O-CA 3.42Å; G157-R201 PolarHBondContact O-N 2.94Å
158N98.8Very high98Very high18 Ų1831.9 Ų31.910%0.09617%0.167CC..EExtended strand (participates in β ladder)trans-134.8131-179.8-61.7-81.4000111D106 I107 L108 M151 R201 C251D106-N158 PolarHBondContact O-N 2.85Å; I107-N158 CarbonylContact C-O 3.57Å; I107-N158 WeakPolarHBondContact CA-O 3.47Å; I107-N158 HydrophobicContact CG1-CB 4.25Å; L108-N158 PolarHBondContact N-O 2.79Å; M151-N158 WeakPolarHBondContact CE-O 3.28Å; N158-R201 CarbonylContact C-O 3.56Å; N158-R201 WeakPolarHBondContact CA-O 3.36Å; N158-R201 PolarHBondContact OD1-NE 3.34Å; N158-R201 PolarHBondContact OD1-NH2 3.13Å; N158-C251 HydrophobicContact CB-CB 4.49Å; N158-C251 PolarHBondContact ND2-O 3.47Å
159V98.9Very high97.6Very high0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-115.8122.1171.5178.30000108.2L108 T144 M151 F161 I200 R201 V202 N203L108-V159 HydrophobicContact CB-CG2 4.5Å; L108-V159 HydrophobicContact CD2-CG1 4.39Å; L108-V159 CarbonylContact O-C 3.56Å; L108-V159 WeakPolarHBondContact O-CA 3.3Å; T144-V159 HydrophobicContact CG2-CG1 4.28Å; T144-V159 HydrophobicContact CG2-CG2 4.03Å; M151-V159 HydrophobicContact CE-CG2 4.19Å; M151-V159 HydrophobicContact SD-CG2 4.18Å; V159-F161 HydrophobicContact CG1-CE1 4Å; V159-F161 HydrophobicContact CG1-CE2 4Å; V159-F161 HydrophobicContact CG1-CZ 3.7Å; V159-I200 HydrophobicContact CG2-CG2 4.07Å; V159-R201 PolarHBondContact N-O 3.03Å; V159-V202 HydrophobicContact CB-CG1 4.2Å; V159-V202 HydrophobicContact CB-CG2 4.29Å; V159-V202 HydrophobicContact CG1-CG1 4.24Å; V159-V202 CarbonylContact O-C 3.54Å; V159-V202 WeakPolarHBondContact O-CA 3.43Å; V159-N203 PolarHBondContact O-N 3.29Å
160I98.9Very high97.2Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-117.1119.7176-52.3-61.2000109.1L108 V109 S110 N203 V205 I247 L250 C251L108-I160 PolarHBondContact O-N 3.32Å; V109-I160 CarbonylContact C-O 3.57Å; V109-I160 WeakPolarHBondContact CA-O 3.35Å; V109-I160 HydrophobicContact CG2-CB 4.35Å; S110-I160 PolarHBondContact N-O 3.05Å; I160-N203 VanDerWaalsContact CA-O 3.31Å; I160-N203 WeakPolarHBondContact CA-O 3.27Å; I160-N203 HydrophobicContact CD1-CB 3.91Å; I160-V205 HydrophobicContact CG2-CG2 4.12Å; I160-I247 HydrophobicContact CG1-CG2 4.48Å; I160-I247 HydrophobicContact CG2-CG1 4.2Å; I160-I247 HydrophobicContact CG2-CG2 4.37Å; I160-L250 HydrophobicContact CD1-CB 3.71Å; I160-L250 HydrophobicContact CD1-CD1 4.31Å; I160-C251 VanDerWaalsContact CG1-SG 3.58Å
161F98.9Very high96.7Very high0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-91.2135.9167.7-60.8-62.1000110.3A140 T144 V159 L184 L187 T188 L191 V202 N203 C204 V205A140-F161 HydrophobicContact CB-CD1 3.85Å; A140-F161 HydrophobicContact CB-CE1 3.7Å; T144-F161 WeakPolarHBondContact OG1-CZ 3.36Å; V159-F161 HydrophobicContact CG1-CE1 4Å; V159-F161 HydrophobicContact CG1-CE2 4Å; V159-F161 HydrophobicContact CG1-CZ 3.7Å; F161-L184 HydrophobicContact CB-CD2 4.48Å; F161-L184 HydrophobicContact CD1-CD2 4.28Å; F161-L184 HydrophobicContact CG-CD2 4.39Å; F161-L187 HydrophobicContact CE1-CD2 4.17Å; F161-L187 HydrophobicContact CE2-CD2 4.22Å; F161-L187 HydrophobicContact CE2-CG 4.13Å; F161-L187 HydrophobicContact CZ-CD2 3.86Å; F161-L187 HydrophobicContact CZ-CG 4.16Å; F161-T188 WeakPolarHBondContact CD2-OG1 3.46Å; F161-L191 HydrophobicContact CE2-CD1 3.97Å; F161-L191 HydrophobicContact CZ-CD1 3.77Å; F161-V202 HydrophobicContact CD2-CG1 4.18Å; F161-V202 HydrophobicContact CE2-CG1 3.67Å; F161-N203 PolarHBondContact N-O 3Å; F161-C204 HydrophobicContact CB-CB 4.44Å; F161-C204 CarbonylContact O-C 3.55Å; F161-C204 VanDerWaalsContact O-CA 3.26Å; F161-C204 WeakPolarHBondContact O-CA 3.48Å; F161-C204 PolarHBondContact O-SG 3.44Å; F161-C204 VanDerWaalsContact O-SG 3.41Å; F161-V205 PolarHBondContact O-N 2.9Å
162V98.8Very high96.1Very high5 Ų546.8 Ų46.83%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-97.2102.7170.9-173.50000109.1I39 V109 S110 N111 K181 P207 I247I39-V162 HydrophobicContact CG2-CG1 4.27Å; V109-V162 HydrophobicContact CG1-CG2 4.12Å; S110-V162 PolarHBondContact O-N 3.19Å; N111-V162 HydrophobicContact CB-CB 4.23Å; N111-V162 HydrophobicContact CB-CG2 3.74Å; V162-K181 PolarHBondContact O-NZ 2.86Å; V162-P207 HydrophobicContact CG1-CG 4Å; V162-I247 HydrophobicContact CG2-CD1 4.02Å
163S98.4Very high95.8Very high4 Ų443.1 Ų43.13%0.02822%0.224CC..  trans-87.5-138.3175.3-172.70000111.3K181 C204 V205S163-K181 WeakPolarHBondContact OG-CB 3.41Å; S163-K181 PolarHBondContact OG-O 3.01Å; S163-C204 WeakPolarHBondContact CB-SG 3.47Å; S163-V205 PolarHBondContact N-O 2.81Å
164S97.8Very high95.6Very high14 Ų1435.9 Ų35.910%0.09819%0.194CC..  trans-164.6157.3175.6-1790000109.2G166 G167 P207S164-G166 PolarHBondContact O-N 2.83Å; S164-G166 PolarHBondContact OG-N 2.88Å; S164-G167 PolarHBondContact O-N 2.79Å; S164-P207 CarbonylContact C-O 3.51Å
165V95.5Very high95.5Very high1 Ų131.1 Ų31.11%0.00618%0.18CC..G310 helixtrans-55.4-28.4165.273.80000112G167 Y168 Q169 M171 P207 T266 M269 C271V165-G167 PolarHBondContact O-N 2.82Å; V165-G167 VanDerWaalsContact O-N 3.11Å; V165-Y168 PolarHBondContact O-N 2.95Å; V165-Q169 PolarHBondContact O-N 3.3Å; V165-M171 HydrophobicContact CG1-CE 3.46Å; V165-M171 VanDerWaalsContact CG1-CE 3.46Å; V165-P207 PolarHBondContact N-O 2.89Å; V165-T266 HydrophobicContact CB-CG2 3.94Å; V165-T266 HydrophobicContact CG2-CG2 3.85Å; V165-M269 HydrophobicContact CB-SD 4.43Å; V165-M269 HydrophobicContact CG1-SD 3.88Å; V165-M269 HydrophobicContact CG2-CG 4.44Å; V165-M269 HydrophobicContact CG2-SD 3.81Å; V165-C271 HydrophobicContact CG2-CB 3.44Å; V165-C271 VanDerWaalsContact CG2-CB 3.44Å
166G95.4Very high95.5Very high1 Ų128.8 Ų28.81%0.0116%0.156CC..G310 helixtrans-58.5-20.5171.500000114.2S164 Y168 Q169 C178S164-G166 PolarHBondContact O-N 2.83Å; S164-G166 PolarHBondContact OG-N 2.88Å; G166-Y168 VanDerWaalsContact C-N 3.27Å; G166-Y168 PolarHBondContact O-N 3.09Å; G166-Q169 WeakPolarHBondContact CA-O 3.32Å; G166-C178 VanDerWaalsContact O-CB 3.25Å; G166-C178 WeakPolarHBondContact O-CB 3.42Å
167G96.3Very high95.5Very high4 Ų429.7 Ų29.74%0.04116%0.157CC..G310 helixtrans-73.7-16.5173.300000114.2S164 V165 T182 L185S164-G167 PolarHBondContact O-N 2.79Å; V165-G167 PolarHBondContact O-N 2.82Å; V165-G167 VanDerWaalsContact O-N 3.11Å; G167-T182 WeakPolarHBondContact CA-OG1 3.4Å; G167-T182 WeakPolarHBondContact O-CB 3.4Å; G167-T182 PolarHBondContact O-OG1 2.85Å; G167-L185 WeakPolarHBondContact O-CD1 3.5Å
168Y95.5Very high95.5Very high74 Ų7429.4 Ų29.429%0.2915%0.153SC..THydrogen-bonded Turntrans-104.4-46.1174.5-69.9-77.4000111.9V165 G166 L185 A206 T262 T264 C271 R272V165-Y168 PolarHBondContact O-N 2.95Å; G166-Y168 VanDerWaalsContact C-N 3.27Å; G166-Y168 PolarHBondContact O-N 3.09Å; Y168-L185 HydrophobicContact CD1-CD1 4.08Å; Y168-L185 HydrophobicContact CD2-CD1 4.19Å; Y168-L185 HydrophobicContact CE1-CD1 3.62Å; Y168-L185 HydrophobicContact CE2-CD1 3.75Å; Y168-L185 HydrophobicContact CE2-CD2 3.9Å; Y168-L185 HydrophobicContact CE2-CG 4.48Å; Y168-L185 HydrophobicContact CG-CD1 4.31Å; Y168-L185 WeakPolarHBondContact OH-CD2 3.5Å; Y168-A206 HydrophobicContact CD2-CB 4.41Å; Y168-A206 HydrophobicContact CE2-CB 3.92Å; Y168-T262 HydrophobicContact CE2-CG2 4.09Å; Y168-T262 VanDerWaalsContact OH-CB 3.25Å; Y168-T262 WeakPolarHBondContact OH-CB 3.48Å; Y168-T262 WeakPolarHBondContact OH-CG2 3.4Å; Y168-T264 HydrophobicContact CD2-CG2 4.22Å; Y168-T264 HydrophobicContact CE2-CG2 4Å; Y168-C271 VanDerWaalsContact CB-O 3.26Å; Y168-C271 WeakPolarHBondContact CB-O 3.37Å; Y168-R272 HydrophobicContact CD1-CG 4.1Å; Y168-R272 HydrophobicContact CE1-CG 4.26Å; Y168-R272 HydrophobicContact CG-CG 4.48Å; Y168-R272 VanDerWaalsContact CZ-NE 3.3Å; Y168-R272 PolarHBondContact OH-NH2 3.21Å
169Q91.8Very high95.5Very high94 Ų9431.7 Ų31.744%0.43917%0.168SC..SBendtrans-124.996-179.8-173.7177.11.800108.7V165 G166 M171 S270V165-Q169 PolarHBondContact O-N 3.3Å; G166-Q169 WeakPolarHBondContact CA-O 3.32Å; Q169-M171 PolarHBondContact O-N 3.03Å; Q169-S270 PolarHBondContact OE1-O 3.23Å
170P89.6Confident95.5Very high89 Ų8931.7 Ų31.758%0.57817%0.168SC*.PPolyproline II helixtrans-56.8132.6179.5-26.635.7000111.7C178P170-C178 HydrophobicContact CB-CB 3.88Å; P170-C178 HydrophobicContact CG-CB 4.37Å
171M87.7Confident95.4Very high46 Ų4631.9 Ų31.923%0.22717%0.169CC..PPolyproline II helixtrans-90137.6175.7-63.3178.2-173.900109.7V165 Q169 G173 L174 C178 V209V165-M171 HydrophobicContact CG1-CE 3.46Å; V165-M171 VanDerWaalsContact CG1-CE 3.46Å; Q169-M171 PolarHBondContact O-N 3.03Å; M171-G173 PolarHBondContact O-N 3.25Å; M171-L174 HydrophobicContact CB-CB 4.43Å; M171-L174 HydrophobicContact CB-CD1 4.16Å; M171-L174 PolarHBondContact O-N 3.17Å; M171-L174 HydrophobicContact SD-CD1 4.23Å; M171-C178 PolarHBondContact N-SG 3.18Å; M171-V209 HydrophobicContact CE-CG2 4.42Å
172Q87.8Confident95.4Very high197 Ų19734.9 Ų34.992%0.92119%0.187SC*.THydrogen-bonded Turntrans-56.3136.3173.4-168.9177.23.300109.9L174Q172-L174 VanDerWaalsContact C-N 3.34Å
173G90.7Very high95.4Very high10 Ų1036.5 Ų36.510%0.10320%0.2CC..THydrogen-bonded Turntrans92-20.9-175.200000114.7F118 G119 M171F118-G173 WeakPolarHBondContact CA-O 3.27Å; G119-G173 PolarHBondContact N-O 3.4Å; G119-G173 CarbonylContact O-C 3.51Å; G119-G173 WeakPolarHBondContact O-CA 3.41Å; M171-G173 PolarHBondContact O-N 3.25Å
174L94.3Very high95.4Very high18 Ų1836.5 Ų36.59%0.09420%0.2CC..  trans-115.725-170.9-61.7-179.4000113.6N115 F118 M171 Q172 Y177 C178N115-L174 VanDerWaalsContact ND2-CD2 3.29Å; N115-L174 WeakPolarHBondContact ND2-CD2 3.35Å; F118-L174 HydrophobicContact CD2-CD2 3.72Å; F118-L174 HydrophobicContact CD2-CG 4.38Å; F118-L174 HydrophobicContact CE2-CD2 4.22Å; F118-L174 HydrophobicContact CE2-CG 4.44Å; M171-L174 HydrophobicContact CB-CB 4.43Å; M171-L174 HydrophobicContact CB-CD1 4.16Å; M171-L174 PolarHBondContact O-N 3.17Å; M171-L174 HydrophobicContact SD-CD1 4.23Å; Q172-L174 VanDerWaalsContact C-N 3.34Å; L174-Y177 WeakPolarHBondContact O-CB 3.19Å; L174-Y177 PolarHBondContact O-N 2.97Å; L174-C178 WeakPolarHBondContact O-CB 3.2Å; L174-C178 PolarHBondContact O-N 3.46Å; L174-C178 PolarHBondContact O-SG 2.89Å
175G96.6Very high95.5Very high13 Ų1336.7 Ų36.713%0.13420%0.2CC..Hα-helixtrans-47.9-64-17000000115.2Y177 C178 V179G175-Y177 VanDerWaalsContact C-N 3.29Å; G175-Y177 PolarHBondContact O-N 3.48Å; G175-C178 WeakPolarHBondContact O-CB 3.36Å; G175-C178 PolarHBondContact O-N 2.88Å; G175-C178 VanDerWaalsContact O-N 3.11Å; G175-V179 WeakPolarHBondContact O-CG2 3.26Å; G175-V179 PolarHBondContact O-N 3.16Å
176P97.9Very high95.6Very high0 Ų038.6 Ų38.60%022%0.22CC..Hα-helixtrans-60.5-37.2-177.8-24.635.6000113F117 I121 V128 W129 I132 V179 S180F117-P176 HydrophobicContact CD1-CG 4.4Å; I121-P176 HydrophobicContact CG1-CG 4.22Å; V128-P176 HydrophobicContact CG1-CG 4.46Å; W129-P176 HydrophobicContact CD2-CB 4.01Å; W129-P176 HydrophobicContact CD2-CG 4.37Å; W129-P176 HydrophobicContact CE3-CB 4.05Å; W129-P176 HydrophobicContact CH2-CB 3.96Å; W129-P176 HydrophobicContact CH2-CG 4.24Å; W129-P176 HydrophobicContact CZ2-CB 3.89Å; W129-P176 HydrophobicContact CZ2-CG 3.73Å; W129-P176 HydrophobicContact CZ3-CB 4.03Å; I132-P176 HydrophobicContact CD1-CB 3.7Å; P176-V179 PolarHBondContact O-N 2.67Å; P176-S180 PolarHBondContact O-N 3.45Å
177Y98.1Very high95.8Very high28 Ų2840 Ų4011%0.1123%0.227CC..Hα-helixtrans-62.7-48.2174.1170.9-93.8000111.6N115 L174 G175 V179 S180 K181 F214N115-Y177 HydrophobicContact CB-CD2 3.93Å; N115-Y177 HydrophobicContact CB-CG 4.31Å; N115-Y177 WeakPolarHBondContact OD1-CB 3.46Å; L174-Y177 WeakPolarHBondContact O-CB 3.19Å; L174-Y177 PolarHBondContact O-N 2.97Å; G175-Y177 VanDerWaalsContact C-N 3.29Å; G175-Y177 PolarHBondContact O-N 3.48Å; Y177-V179 VanDerWaalsContact C-N 3.33Å; Y177-V179 PolarHBondContact O-N 2.97Å; Y177-S180 WeakPolarHBondContact O-CB 3.43Å; Y177-S180 PolarHBondContact O-N 3.08Å; Y177-S180 VanDerWaalsContact O-N 3.11Å; Y177-S180 PolarHBondContact O-OG 3.13Å; Y177-K181 HydrophobicContact CD1-CG 4.24Å; Y177-K181 HydrophobicContact CD2-CG 4.46Å; Y177-K181 HydrophobicContact CE1-CG 3.79Å; Y177-K181 HydrophobicContact CE2-CD 4.27Å; Y177-K181 VanDerWaalsContact CE2-CE 3.41Å; Y177-K181 HydrophobicContact CE2-CG 4.04Å; Y177-K181 VanDerWaalsContact CZ-CE 3.43Å; Y177-K181 WeakPolarHBondContact O-CG 3.37Å; Y177-K181 PolarHBondContact O-N 3.01Å; Y177-K181 WeakPolarHBondContact OH-CE 3.47Å; Y177-F214 HydrophobicContact CE2-CE1 4.02Å; Y177-F214 AromaticContact CE2-CZ 3.99Å; Y177-F214 HydrophobicContact CE2-CZ 3.99Å
178C97.9Very high95.9Very high1 Ų139.8 Ų39.81%0.00723%0.225CC..Hα-helixtrans-57.8-45.6178.2-680000111.2G166 P170 M171 L174 G175 S180 K181 T182G166-C178 VanDerWaalsContact O-CB 3.25Å; G166-C178 WeakPolarHBondContact O-CB 3.42Å; P170-C178 HydrophobicContact CB-CB 3.88Å; P170-C178 HydrophobicContact CG-CB 4.37Å; M171-C178 PolarHBondContact N-SG 3.18Å; L174-C178 WeakPolarHBondContact O-CB 3.2Å; L174-C178 PolarHBondContact O-N 3.46Å; L174-C178 PolarHBondContact O-SG 2.89Å; G175-C178 WeakPolarHBondContact O-CB 3.36Å; G175-C178 PolarHBondContact O-N 2.88Å; G175-C178 VanDerWaalsContact O-N 3.11Å; C178-S180 VanDerWaalsContact C-N 3.33Å; C178-S180 PolarHBondContact O-N 3.46Å; C178-K181 CarbonylContact O-C 3.58Å; C178-K181 WeakPolarHBondContact O-CA 3.16Å; C178-K181 PolarHBondContact O-N 3.24Å; C178-T182 PolarHBondContact O-N 3.44Å; C178-T182 PolarHBondContact O-OG1 2.98Å
179V98.3Very high96.1Very high67 Ų6744.5 Ų44.541%0.40624%0.242SC..Hα-helixtrans-57.4-44.9174.6173.50000111.5W129 G175 P176 Y177 K181 T182 A183W129-V179 HydrophobicContact CH2-CB 4.21Å; W129-V179 HydrophobicContact CH2-CG1 4.36Å; W129-V179 HydrophobicContact CH2-CG2 4.12Å; W129-V179 HydrophobicContact CZ3-CB 4.11Å; W129-V179 HydrophobicContact CZ3-CG1 3.99Å; G175-V179 WeakPolarHBondContact O-CG2 3.26Å; G175-V179 PolarHBondContact O-N 3.16Å; P176-V179 PolarHBondContact O-N 2.67Å; Y177-V179 VanDerWaalsContact C-N 3.33Å; Y177-V179 PolarHBondContact O-N 2.97Å; V179-K181 PolarHBondContact O-N 2.69Å; V179-T182 WeakPolarHBondContact O-CB 3.47Å; V179-T182 PolarHBondContact O-N 3.36Å; V179-A183 PolarHBondContact O-N 2.52Å
180S98.7Very high96.4Very high0 Ų042.9 Ų42.90%025%0.245CC..Hα-helixtrans-61.4-33.5176.382.70000112.9I132 N136 V137 P176 Y177 C178 A183 L184I132-S180 VanDerWaalsContact CG2-CB 3.44Å; N136-S180 PolarHBondContact ND2-OG 3.03Å; V137-S180 WeakPolarHBondContact CG2-O 3.21Å; P176-S180 PolarHBondContact O-N 3.45Å; Y177-S180 WeakPolarHBondContact O-CB 3.43Å; Y177-S180 PolarHBondContact O-N 3.08Å; Y177-S180 VanDerWaalsContact O-N 3.11Å; Y177-S180 PolarHBondContact O-OG 3.13Å; C178-S180 VanDerWaalsContact C-N 3.33Å; C178-S180 PolarHBondContact O-N 3.46Å; S180-A183 WeakPolarHBondContact O-CB 3.4Å; S180-A183 PolarHBondContact O-N 3.41Å; S180-L184 PolarHBondContact O-N 3.34Å
181K98.4Very high96.8Very high4 Ų439.6 Ų39.62%0.01722%0.222CC..Hα-helixtrans-77.1-33.9178.1-66-51.4-164.5172.20111.8V162 S163 Y177 C178 V179 A183 L184V162-K181 PolarHBondContact O-NZ 2.86Å; S163-K181 WeakPolarHBondContact OG-CB 3.41Å; S163-K181 PolarHBondContact OG-O 3.01Å; Y177-K181 HydrophobicContact CD1-CG 4.24Å; Y177-K181 HydrophobicContact CD2-CG 4.46Å; Y177-K181 HydrophobicContact CE1-CG 3.79Å; Y177-K181 HydrophobicContact CE2-CD 4.27Å; Y177-K181 VanDerWaalsContact CE2-CE 3.41Å; Y177-K181 HydrophobicContact CE2-CG 4.04Å; Y177-K181 VanDerWaalsContact CZ-CE 3.43Å; Y177-K181 WeakPolarHBondContact O-CG 3.37Å; Y177-K181 PolarHBondContact O-N 3.01Å; Y177-K181 WeakPolarHBondContact OH-CE 3.47Å; C178-K181 CarbonylContact O-C 3.58Å; C178-K181 WeakPolarHBondContact O-CA 3.16Å; C178-K181 PolarHBondContact O-N 3.24Å; V179-K181 PolarHBondContact O-N 2.69Å; K181-A183 VanDerWaalsContact C-N 3.34Å; K181-L184 HydrophobicContact CD-CD1 4.02Å; K181-L184 PolarHBondContact O-N 3.26Å
182T98.6Very high97.4Very high63 Ų6337.7 Ų37.739%0.38721%0.214SC..Hα-helixtrans-61.4-42.3167.3-53.60000111.3G167 C178 V179 L184 L185 G186G167-T182 WeakPolarHBondContact CA-OG1 3.4Å; G167-T182 WeakPolarHBondContact O-CB 3.4Å; G167-T182 PolarHBondContact O-OG1 2.85Å; C178-T182 PolarHBondContact O-N 3.44Å; C178-T182 PolarHBondContact O-OG1 2.98Å; V179-T182 WeakPolarHBondContact O-CB 3.47Å; V179-T182 PolarHBondContact O-N 3.36Å; T182-L184 PolarHBondContact O-N 3.16Å; T182-L185 WeakPolarHBondContact O-CA 3.47Å; T182-L185 VanDerWaalsContact O-CB 3.22Å; T182-L185 WeakPolarHBondContact O-CB 3.17Å; T182-L185 PolarHBondContact O-N 2.84Å; T182-G186 PolarHBondContact O-N 2.84Å
183A98.8Very high97.9Very high38 Ų3832.6 Ų32.631%0.31420%0.198SC..Hα-helixtrans-59.4-34.317800000112.6V137 V179 S180 K181 L185 G186 L187V137-A183 HydrophobicContact CG1-CB 3.99Å; V137-A183 HydrophobicContact CG2-CB 3.84Å; V179-A183 PolarHBondContact O-N 2.52Å; S180-A183 WeakPolarHBondContact O-CB 3.4Å; S180-A183 PolarHBondContact O-N 3.41Å; K181-A183 VanDerWaalsContact C-N 3.34Å; A183-L185 VanDerWaalsContact C-N 3.3Å; A183-L185 PolarHBondContact O-N 2.84Å; A183-G186 PolarHBondContact O-N 3.32Å; A183-L187 WeakPolarHBondContact O-CB 3.44Å; A183-L187 PolarHBondContact O-N 2.89Å
184L98.8Very high98.2Very high4 Ų438.2 Ų38.22%0.02122%0.221CC..Hα-helixtrans-65.6-30.4173.4-70.9179.2000113.3N136 A140 F161 S180 K181 T182 L187 T188N136-L184 WeakPolarHBondContact O-CD2 3.18Å; A140-L184 HydrophobicContact CB-CD2 3.96Å; F161-L184 HydrophobicContact CB-CD2 4.48Å; F161-L184 HydrophobicContact CD1-CD2 4.28Å; F161-L184 HydrophobicContact CG-CD2 4.39Å; S180-L184 PolarHBondContact O-N 3.34Å; K181-L184 HydrophobicContact CD-CD1 4.02Å; K181-L184 PolarHBondContact O-N 3.26Å; T182-L184 PolarHBondContact O-N 3.16Å; L184-L187 HydrophobicContact CD2-CD2 4.05Å; L184-T188 WeakPolarHBondContact O-CB 3.45Å; L184-T188 PolarHBondContact O-N 3.01Å; L184-T188 PolarHBondContact O-OG1 3.41Å
185L98.6Very high98.4Very high19 Ų1938.2 Ų38.210%0.09922%0.222CC..Hα-helixtrans-64.2-47.6173.1-49.8-179.9000110.1G167 Y168 T182 A183 T188 R189 T262G167-L185 WeakPolarHBondContact O-CD1 3.5Å; Y168-L185 HydrophobicContact CD1-CD1 4.08Å; Y168-L185 HydrophobicContact CD2-CD1 4.19Å; Y168-L185 HydrophobicContact CE1-CD1 3.62Å; Y168-L185 HydrophobicContact CE2-CD1 3.75Å; Y168-L185 HydrophobicContact CE2-CD2 3.9Å; Y168-L185 HydrophobicContact CE2-CG 4.48Å; Y168-L185 HydrophobicContact CG-CD1 4.31Å; Y168-L185 WeakPolarHBondContact OH-CD2 3.5Å; T182-L185 WeakPolarHBondContact O-CA 3.47Å; T182-L185 VanDerWaalsContact O-CB 3.22Å; T182-L185 WeakPolarHBondContact O-CB 3.17Å; T182-L185 PolarHBondContact O-N 2.84Å; A183-L185 VanDerWaalsContact C-N 3.3Å; A183-L185 PolarHBondContact O-N 2.84Å; L185-T188 WeakPolarHBondContact O-CB 3.49Å; L185-T188 PolarHBondContact O-N 2.77Å; L185-R189 PolarHBondContact O-N 2.9Å; L185-T262 HydrophobicContact CD2-CG2 3.73Å
186G98.7Very high98.5Very high41 Ų4140.3 Ų40.342%0.42324%0.238SC..Hα-helixtrans-61.6-45.9175.600000112.3T182 A183 T188 R189 A190T182-G186 PolarHBondContact O-N 2.84Å; A183-G186 PolarHBondContact O-N 3.32Å; G186-T188 VanDerWaalsContact C-N 3.27Å; G186-T188 PolarHBondContact O-N 3.44Å; G186-R189 PolarHBondContact O-N 2.95Å; G186-R189 VanDerWaalsContact O-N 3.16Å; G186-A190 WeakPolarHBondContact O-CB 3.39Å; G186-A190 PolarHBondContact O-N 3.48Å
187L98.8Very high98.4Very high29 Ų2947.7 Ų47.715%0.15227%0.272CS..Hα-helixtrans-59.1-39178.1-176.262.2000112.1A140 F141 F161 A183 L184 A190 L191A140-L187 HydrophobicContact CB-CD2 4.42Å; F141-L187 HydrophobicContact CB-CD1 4.25Å; F141-L187 HydrophobicContact CB-CD2 4.07Å; F141-L187 HydrophobicContact CD2-CD1 4.17Å; F161-L187 HydrophobicContact CE1-CD2 4.17Å; F161-L187 HydrophobicContact CE2-CD2 4.22Å; F161-L187 HydrophobicContact CE2-CG 4.13Å; F161-L187 HydrophobicContact CZ-CD2 3.86Å; F161-L187 HydrophobicContact CZ-CG 4.16Å; A183-L187 WeakPolarHBondContact O-CB 3.44Å; A183-L187 PolarHBondContact O-N 2.89Å; L184-L187 HydrophobicContact CD2-CD2 4.05Å; L187-A190 PolarHBondContact O-N 2.83Å; L187-L191 HydrophobicContact CD1-CD1 3.72Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CG-CD1 3.84Å; L187-L191 HydrophobicContact CG-CG 4.41Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CG 2.94Å; L187-L191 PolarHBondContact O-N 3.12Å
188T98.9Very high98.4Very high0 Ų047.2 Ų47.20%027%0.273CS..Hα-helixtrans-60.2-49.5175.7-56.10000111.1F161 L184 L185 G186 A190 A192 V202 C204F161-T188 WeakPolarHBondContact CD2-OG1 3.46Å; L184-T188 WeakPolarHBondContact O-CB 3.45Å; L184-T188 PolarHBondContact O-N 3.01Å; L184-T188 PolarHBondContact O-OG1 3.41Å; L185-T188 WeakPolarHBondContact O-CB 3.49Å; L185-T188 PolarHBondContact O-N 2.77Å; G186-T188 VanDerWaalsContact C-N 3.27Å; G186-T188 PolarHBondContact O-N 3.44Å; T188-A190 VanDerWaalsContact C-N 3.34Å; T188-A190 PolarHBondContact O-N 2.81Å; T188-A192 WeakPolarHBondContact O-CB 3.41Å; T188-A192 PolarHBondContact O-N 3.4Å; T188-A192 VanDerWaalsContact O-N 3.11Å; T188-V202 HydrophobicContact CG2-CG1 4.29Å; T188-C204 HydrophobicContact CG2-CB 3.94Å; T188-C204 WeakPolarHBondContact OG1-CB 3.48Å
189R98.5Very high98.4Very high174 Ų17452.5 Ų52.566%0.65730%0.301SS*.Hα-helixtrans-68.4-33.4-179.6-62-170.999.7131.511.6112.7L185 G186 P193L185-R189 PolarHBondContact O-N 2.9Å; G186-R189 PolarHBondContact O-N 2.95Å; G186-R189 VanDerWaalsContact O-N 3.16Å; R189-P193 WeakPolarHBondContact O-CD 3.5Å
190A98.7Very high98.5Very high60 Ų6049.4 Ų49.450%0.49628%0.282SS..Hα-helixtrans-71.2-43.117800000112G186 L187 T188 P193 E194G186-A190 WeakPolarHBondContact O-CB 3.39Å; G186-A190 PolarHBondContact O-N 3.48Å; L187-A190 PolarHBondContact O-N 2.83Å; T188-A190 VanDerWaalsContact C-N 3.34Å; T188-A190 PolarHBondContact O-N 2.81Å; A190-P193 WeakPolarHBondContact O-CD 3.49Å; A190-E194 WeakPolarHBondContact O-CG 3.07Å
191L98.8Very high98.5Very high19 Ų1950.8 Ų50.810%0.09929%0.287CS..Hα-helixtrans-78.5-25.9-177.7-72.7174.9000113.9F141 T144 F161 L187 E194 L195 V202F141-L191 HydrophobicContact CD2-CD2 4.39Å; F141-L191 HydrophobicContact CE2-CD2 4.37Å; T144-L191 HydrophobicContact CG2-CD1 4.12Å; F161-L191 HydrophobicContact CE2-CD1 3.97Å; F161-L191 HydrophobicContact CZ-CD1 3.77Å; L187-L191 HydrophobicContact CD1-CD1 3.72Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CG-CD1 3.84Å; L187-L191 HydrophobicContact CG-CG 4.41Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CG 2.94Å; L187-L191 PolarHBondContact O-N 3.12Å; L191-E194 PolarHBondContact O-N 2.73Å; L191-L195 HydrophobicContact CB-CD1 4.44Å; L191-L195 WeakPolarHBondContact O-CB 3.36Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 3.07Å; L191-V202 HydrophobicContact CB-CG1 4.14Å; L191-V202 HydrophobicContact CB-CG2 4.21Å
192A98.7Very high98.5Very high7 Ų750.6 Ų50.66%0.05829%0.286CS..Hα-helixtrans-56.8-51.5-178.500000114.3T188 A196 V202 G260T188-A192 WeakPolarHBondContact O-CB 3.41Å; T188-A192 PolarHBondContact O-N 3.4Å; T188-A192 VanDerWaalsContact O-N 3.11Å; A192-A196 WeakPolarHBondContact O-CB 3.34Å; A192-A196 PolarHBondContact O-N 2.82Å; A192-V202 HydrophobicContact CB-CB 4.29Å; A192-G260 VanDerWaalsContact CB-CA 3.41Å
193P98.4Very high98.5Very high89 Ų8947.6 Ų47.658%0.57827%0.268SS*.Hα-helixtrans-68.2-36.917626.7-34.1000112.3R189 A190 L195 A196R189-P193 WeakPolarHBondContact O-CD 3.5Å; A190-P193 WeakPolarHBondContact O-CD 3.49Å; P193-L195 VanDerWaalsContact C-N 3.3Å; P193-L195 PolarHBondContact O-N 3.49Å; P193-A196 PolarHBondContact O-N 3.03Å
194E98.3Very high98.5Very high128 Ų12845.8 Ų45.860%0.59825%0.253SS*.Hα-helixtrans-60.5-38.2178.9-68.8-66160.800112A190 L191 H197A190-E194 WeakPolarHBondContact O-CG 3.07Å; L191-E194 PolarHBondContact O-N 2.73Å; E194-H197 PolarHBondContact O-CE1 3.32Å; E194-H197 PolarHBondContact O-ND1 3.11Å
195L98.6Very high98.5Very high19 Ų1945.6 Ų45.610%0.09925%0.252CS..Hα-helixtrans-99-1.6-175.8-57.4-175.5000114T144 V148 L191 P193 H197 S198 I200 V202T144-L195 HydrophobicContact CG2-CD1 3.94Å; V148-L195 HydrophobicContact CG1-CD2 4.08Å; V148-L195 HydrophobicContact CG2-CD1 3.73Å; V148-L195 HydrophobicContact CG2-CD2 3.91Å; V148-L195 HydrophobicContact CG2-CG 4.5Å; L191-L195 HydrophobicContact CB-CD1 4.44Å; L191-L195 WeakPolarHBondContact O-CB 3.36Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 3.07Å; P193-L195 VanDerWaalsContact C-N 3.3Å; P193-L195 PolarHBondContact O-N 3.49Å; L195-H197 VanDerWaalsContact C-N 3.34Å; L195-H197 PolarHBondContact O-N 3.03Å; L195-S198 PolarHBondContact O-N 2.94Å; L195-I200 HydrophobicContact CB-CB 3.98Å; L195-I200 HydrophobicContact CB-CG2 4.17Å; L195-I200 HydrophobicContact CD1-CG2 4.14Å; L195-I200 PolarHBondContact O-N 3.46Å; L195-V202 HydrophobicContact CB-CG2 4.25Å; L195-V202 HydrophobicContact CD1-CG2 3.8Å; L195-V202 HydrophobicContact CG-CG2 4.45Å
196A97.6Very high98.5Very high57 Ų5744.7 Ų44.747%0.47125%0.247SC..Hα-helixtrans-62.6-39.1-178.100000112.7A192 P193 S198 N199A192-A196 WeakPolarHBondContact O-CB 3.34Å; A192-A196 PolarHBondContact O-N 2.82Å; P193-A196 PolarHBondContact O-N 3.03Å; A196-S198 PolarHBondContact O-N 3.4Å; A196-N199 PolarHBondContact O-N 3.36Å
197H96.8Very high98.5Very high155 Ų15543 Ų4372%0.71823%0.229SC*.THydrogen-bonded Turntrans-64.3-24.3179.170.8-85.2000112.9E194 L195 N199E194-H197 PolarHBondContact O-CE1 3.32Å; E194-H197 PolarHBondContact O-ND1 3.11Å; L195-H197 VanDerWaalsContact C-N 3.34Å; L195-H197 PolarHBondContact O-N 3.03Å; H197-N199 VanDerWaalsContact C-N 3.3Å
198S98.3Very high98.3Very high18 Ų1842.2 Ų42.213%0.12623%0.227CC..THydrogen-bonded Turntrans-88.79.5176-60.60000113.3E152 G156 L195 A196 I200E152-S198 WeakPolarHBondContact OE1-CB 3.46Å; E152-S198 PolarHBondContact OE1-OG 3.19Å; G156-S198 WeakPolarHBondContact CA-O 3.33Å; L195-S198 PolarHBondContact O-N 2.94Å; A196-S198 PolarHBondContact O-N 3.4Å; S198-I200 PolarHBondContact O-N 3.47Å
199N98.4Very high98.1Very high111 Ų11142.7 Ų42.759%0.59423%0.231SC*.THydrogen-bonded Turntrans55.636.1-174.5-169.239.4000112.8G155 G156 G157 A196 H197G155-N199 PolarHBondContact O-ND2 3.16Å; G156-N199 WeakPolarHBondContact CA-O 3.34Å; G157-N199 PolarHBondContact N-O 2.8Å; G157-N199 VanDerWaalsContact N-O 3.09Å; A196-N199 PolarHBondContact O-N 3.36Å; H197-N199 VanDerWaalsContact C-N 3.3Å
200I98.9Very high98Very high3 Ų334.9 Ų34.92%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-108.5122.6177.7-63.2165.8000109.1V148 M151 E152 G157 V159 L195 S198 V202V148-I200 HydrophobicContact CB-CD1 4.38Å; V148-I200 HydrophobicContact CG1-CD1 4.02Å; V148-I200 HydrophobicContact CG2-CD1 4.1Å; M151-I200 HydrophobicContact CB-CD1 3.71Å; M151-I200 HydrophobicContact CB-CG1 4.04Å; M151-I200 HydrophobicContact SD-CD1 4.24Å; M151-I200 HydrophobicContact SD-CG1 4.38Å; M151-I200 HydrophobicContact SD-CG2 4.19Å; E152-I200 HydrophobicContact CG-CD1 4.4Å; G157-I200 VanDerWaalsContact O-CA 3.31Å; G157-I200 WeakPolarHBondContact O-CA 3.42Å; V159-I200 HydrophobicContact CG2-CG2 4.07Å; L195-I200 HydrophobicContact CB-CB 3.98Å; L195-I200 HydrophobicContact CB-CG2 4.17Å; L195-I200 HydrophobicContact CD1-CG2 4.14Å; L195-I200 PolarHBondContact O-N 3.46Å; S198-I200 PolarHBondContact O-N 3.47Å; I200-V202 HydrophobicContact CG2-CG2 4.42Å
201R98.8Very high97.8Very high29 Ų2936.4 Ų36.411%0.10920%0.197CC..EExtended strand (participates in β ladder)trans-90.1135.8174.5-59.9-172.9-62.6103.3-5.9109.9G157 N158 V159 L250 S252 A255 I258 T259G157-R201 PolarHBondContact O-N 2.94Å; N158-R201 CarbonylContact C-O 3.56Å; N158-R201 WeakPolarHBondContact CA-O 3.36Å; N158-R201 PolarHBondContact OD1-NE 3.34Å; N158-R201 PolarHBondContact OD1-NH2 3.13Å; V159-R201 PolarHBondContact N-O 3.03Å; R201-L250 VanDerWaalsContact CZ-O 3.26Å; R201-L250 PolarHBondContact NH1-O 3.12Å; R201-L250 PolarHBondContact NH2-O 2.89Å; R201-S252 PolarHBondContact NH2-O 2.92Å; R201-A255 VanDerWaalsContact CZ-O 3.24Å; R201-A255 PolarHBondContact NH1-O 3.11Å; R201-I258 WeakPolarHBondContact CD-O 3.29Å; R201-I258 PolarHBondContact NH1-O 2.93Å; R201-T259 WeakPolarHBondContact CA-OG1 3.25Å
202V98.9Very high97.7Very high0 Ų036.2 Ų36.20%020%0.197CC..EExtended strand (participates in β ladder)trans-121.7116179.4-171.20000108.5V159 F161 T188 L191 A192 L195 I200 T259 G260V159-V202 HydrophobicContact CB-CG1 4.2Å; V159-V202 HydrophobicContact CB-CG2 4.29Å; V159-V202 HydrophobicContact CG1-CG1 4.24Å; V159-V202 CarbonylContact O-C 3.54Å; V159-V202 WeakPolarHBondContact O-CA 3.43Å; F161-V202 HydrophobicContact CD2-CG1 4.18Å; F161-V202 HydrophobicContact CE2-CG1 3.67Å; T188-V202 HydrophobicContact CG2-CG1 4.29Å; L191-V202 HydrophobicContact CB-CG1 4.14Å; L191-V202 HydrophobicContact CB-CG2 4.21Å; A192-V202 HydrophobicContact CB-CB 4.29Å; L195-V202 HydrophobicContact CB-CG2 4.25Å; L195-V202 HydrophobicContact CD1-CG2 3.8Å; L195-V202 HydrophobicContact CG-CG2 4.45Å; I200-V202 HydrophobicContact CG2-CG2 4.42Å; V202-T259 PolarHBondContact N-OG1 3.02Å; V202-G260 WeakPolarHBondContact O-CA 3.41Å; V202-G260 PolarHBondContact O-N 3.36Å
203N98.9Very high97.5Very high0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans-133.1172.3178.6-67-66.6000110.9V159 I160 F161 L250 I258 T259 G260 E261V159-N203 PolarHBondContact O-N 3.29Å; I160-N203 VanDerWaalsContact CA-O 3.31Å; I160-N203 WeakPolarHBondContact CA-O 3.27Å; I160-N203 HydrophobicContact CD1-CB 3.91Å; F161-N203 PolarHBondContact N-O 3Å; N203-L250 HydrophobicContact CB-CD1 4.27Å; N203-I258 PolarHBondContact ND2-O 3.23Å; N203-T259 WeakPolarHBondContact OD1-CA 3.46Å; N203-T259 PolarHBondContact OD1-N 3.38Å; N203-G260 PolarHBondContact OD1-N 3.16Å; N203-E261 CarbonylContact C-O 3.43Å; N203-E261 WeakPolarHBondContact CA-O 3.49Å; N203-E261 PolarHBondContact OD1-N 3.43Å; N203-E261 VanDerWaalsContact OD1-N 3.12Å
204C98.8Very high97.2Very high0 Ų045.4 Ų45.40%022%0.222CC..EExtended strand (participates in β ladder)trans-133147.4178.6-178.50000110.5F161 S163 T188 E261 T262 V263F161-C204 HydrophobicContact CB-CB 4.44Å; F161-C204 CarbonylContact O-C 3.55Å; F161-C204 VanDerWaalsContact O-CA 3.26Å; F161-C204 WeakPolarHBondContact O-CA 3.48Å; F161-C204 PolarHBondContact O-SG 3.44Å; F161-C204 VanDerWaalsContact O-SG 3.41Å; S163-C204 WeakPolarHBondContact CB-SG 3.47Å; T188-C204 HydrophobicContact CG2-CB 3.94Å; T188-C204 WeakPolarHBondContact OG1-CB 3.48Å; C204-E261 PolarHBondContact N-O 3.01Å; C204-T262 HydrophobicContact CB-CG2 3.89Å; C204-T262 WeakPolarHBondContact CB-OG1 3.38Å; C204-T262 CarbonylContact O-C 3.59Å; C204-T262 VanDerWaalsContact O-CA 3.27Å; C204-T262 WeakPolarHBondContact O-CA 3.44Å; C204-V263 PolarHBondContact O-N 3.09Å
205V98.8Very high96.8Very high0 Ų040.1 Ų40.10%020%0.199CC..EExtended strand (participates in β ladder)trans-113.1131.9166.5-178.80000107.7I160 F161 S163 P207 I243 T246 I247 L250 V263 V265I160-V205 HydrophobicContact CG2-CG2 4.12Å; F161-V205 PolarHBondContact O-N 2.9Å; S163-V205 PolarHBondContact N-O 2.81Å; V205-P207 HydrophobicContact CG1-CG 4.36Å; V205-P207 VanDerWaalsContact O-CD 3.32Å; V205-P207 WeakPolarHBondContact O-CD 3.41Å; V205-I243 HydrophobicContact CG1-CG2 3.96Å; V205-T246 HydrophobicContact CG1-CG2 4.5Å; V205-T246 HydrophobicContact CG2-CG2 4.14Å; V205-I247 HydrophobicContact CB-CG1 4.44Å; V205-I247 HydrophobicContact CG2-CG1 3.84Å; V205-L250 HydrophobicContact CG2-CD1 3.54Å; V205-V263 CarbonylContact C-O 3.56Å; V205-V263 WeakPolarHBondContact CA-O 3.42Å; V205-V265 HydrophobicContact CG1-CG2 3.93Å
206A98.3Very high96.5Very high0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-113.591.2176.400000109.7Y168 T262 V263 T264 V265Y168-A206 HydrophobicContact CD2-CB 4.41Å; Y168-A206 HydrophobicContact CE2-CB 3.92Å; A206-T262 HydrophobicContact CB-CG2 3.74Å; A206-V263 PolarHBondContact N-O 3.29Å; A206-T264 HydrophobicContact CB-CG2 4Å; A206-T264 WeakPolarHBondContact O-CA 3.4Å; A206-V265 PolarHBondContact O-N 3.04Å
207P97.9Very high96Very high5 Ų541.4 Ų41.43%0.03221%0.21CC..EExtended strand (participates in β ladder)trans-67.9147.5177.9-20.833.8000112.5I39 V162 S164 V165 V205 I210 I243I39-P207 HydrophobicContact CD1-CB 4.22Å; I39-P207 HydrophobicContact CD1-CG 4Å; V162-P207 HydrophobicContact CG1-CG 4Å; S164-P207 CarbonylContact C-O 3.51Å; V165-P207 PolarHBondContact N-O 2.89Å; V205-P207 HydrophobicContact CG1-CG 4.36Å; V205-P207 VanDerWaalsContact O-CD 3.32Å; V205-P207 WeakPolarHBondContact O-CD 3.41Å; P207-I210 HydrophobicContact CB-CD1 4.34Å; P207-I210 HydrophobicContact CB-CG1 3.75Å; P207-I243 HydrophobicContact CB-CD1 3.71Å; P207-I243 HydrophobicContact CB-CG1 4.08Å; P207-I243 HydrophobicContact CG-CD1 4.03Å; P207-I243 HydrophobicContact CG-CG1 4.19Å; P207-I243 HydrophobicContact CG-CG2 3.92Å
208G95.3Very high95.5Very high12 Ų1236 Ų3612%0.12419%0.187CC..  trans-73.4-149.3163.400000112.4I210 V265G208-I210 PolarHBondContact O-N 2.79Å; G208-V265 PolarHBondContact N-O 2.94Å
209V93.8Very high95Very high11 Ų1138 Ų387%0.06719%0.192CC..SBendtrans-77.8112.2169.9-176.90000108.7M171 L218 L228 I237 G238M171-V209 HydrophobicContact CE-CG2 4.42Å; V209-L218 HydrophobicContact CG1-CB 4.27Å; V209-L228 HydrophobicContact CB-CD1 4.42Å; V209-L228 HydrophobicContact CG1-CD1 4.19Å; V209-L228 HydrophobicContact CG2-CD1 3.98Å; V209-L228 HydrophobicContact CG2-CD2 4.13Å; V209-I237 HydrophobicContact CB-CG2 4.4Å; V209-I237 HydrophobicContact CG1-CG2 4.13Å; V209-G238 PolarHBondContact O-N 2.98Å
210I96.5Very high94.6Very high9 Ų938.9 Ų38.95%0.04619%0.192CC..BIsolated β-bridgetrans-110140.1179.9-52.7-55.6000109I39 P207 G208 T212 S215 G238 P240 I243I39-I210 HydrophobicContact CD1-CB 4.31Å; I39-I210 HydrophobicContact CD1-CG1 4.18Å; I39-I210 HydrophobicContact CD1-CG2 4.44Å; I39-I210 HydrophobicContact CG1-CG2 4.22Å; P207-I210 HydrophobicContact CB-CD1 4.34Å; P207-I210 HydrophobicContact CB-CG1 3.75Å; G208-I210 PolarHBondContact O-N 2.79Å; I210-T212 HydrophobicContact CB-CG2 4.43Å; I210-T212 HydrophobicContact CG2-CG2 3.98Å; I210-T212 PolarHBondContact O-N 3Å; I210-S215 WeakPolarHBondContact O-CB 3.37Å; I210-S215 PolarHBondContact O-OG 3.01Å; I210-G238 CarbonylContact C-O 3.49Å; I210-G238 VanDerWaalsContact CA-O 3.3Å; I210-G238 WeakPolarHBondContact CA-O 3.45Å; I210-P240 HydrophobicContact CG2-CB 4.47Å; I210-P240 HydrophobicContact CG2-CG 4.06Å; I210-I243 HydrophobicContact CD1-CD1 3.77Å; I210-I243 HydrophobicContact CD1-CG1 3.89Å; I210-I243 HydrophobicContact CG1-CD1 4.14Å; I210-I243 HydrophobicContact CG1-CG1 3.87Å
211K95.7Very high94.1Very high92 Ų9242.2 Ų42.240%0.421%0.21SC..  trans-73.788.6-179-164.2-179.4-178.4-178.50111.5W219 I237 G238K211-W219 HydrophobicContact CG-CD2 3.82Å; K211-W219 HydrophobicContact CG-CE3 4.06Å; K211-W219 HydrophobicContact CG-CG 4.34Å; K211-W219 HydrophobicContact CG-CH2 4.39Å; K211-W219 HydrophobicContact CG-CZ2 4.13Å; K211-W219 HydrophobicContact CG-CZ3 4.34Å; K211-I237 HydrophobicContact CB-CD1 3.84Å; K211-I237 HydrophobicContact CB-CG1 4.45Å; K211-I237 HydrophobicContact CD-CD1 4.27Å; K211-I237 HydrophobicContact CG-CD1 4.03Å; K211-G238 PolarHBondContact N-O 3.45Å
212T96.4Very high93.6Very high16 Ų1648.8 Ų48.810%0.09824%0.239CC..SBendtrans-133.916417870.20000110.9I39 I210 F214 S215 S216 W219 P240I39-T212 HydrophobicContact CG1-CG2 4.25Å; I210-T212 HydrophobicContact CB-CG2 4.43Å; I210-T212 HydrophobicContact CG2-CG2 3.98Å; I210-T212 PolarHBondContact O-N 3Å; T212-F214 PolarHBondContact O-N 3.23Å; T212-F214 PolarHBondContact OG1-N 3.06Å; T212-S215 PolarHBondContact N-OG 2.89Å; T212-S215 PolarHBondContact O-N 3.35Å; T212-S215 PolarHBondContact O-OG 2.84Å; T212-S215 VanDerWaalsContact O-OG 3.08Å; T212-S215 PolarHBondContact OG1-N 3.41Å; T212-S215 PolarHBondContact OG1-OG 3.48Å; T212-S216 PolarHBondContact O-N 3.48Å; T212-S216 VanDerWaalsContact O-N 3.12Å; T212-W219 PolarHBondContact O-NE1 3.46Å; T212-P240 HydrophobicContact CG2-CG 3.91Å
213R93.6Very high93.1Very high177 Ų17754.8 Ų54.867%0.66827%0.271SS*.G310 helixtrans-58.5-33.1171.6-159.6-177.684.7170.97.3113.1S215 S216R213-S215 VanDerWaalsContact C-N 3.28Å; R213-S215 PolarHBondContact O-N 2.88Å; R213-S216 WeakPolarHBondContact O-CB 3.41Å; R213-S216 PolarHBondContact O-N 3.27Å; R213-S216 PolarHBondContact O-OG 3.28Å
214F91.8Very high92.5Very high111 Ų11157.9 Ų57.949%0.48729%0.287SS..G310 helixtrans-65.4-32.1179.9-175.2-94.9000112.6A113 N115 Y177 T212A113-F214 HydrophobicContact CB-CZ 4.46Å; N115-F214 HydrophobicContact CB-CZ 3.98Å; Y177-F214 HydrophobicContact CE2-CE1 4.02Å; Y177-F214 AromaticContact CE2-CZ 3.99Å; Y177-F214 HydrophobicContact CE2-CZ 3.99Å; T212-F214 PolarHBondContact O-N 3.23Å; T212-F214 PolarHBondContact OG1-N 3.06Å
215S90.8Very high92Very high17 Ų1758.7 Ų58.712%0.11929%0.292CS..G310 helixtrans-104.78.7-178.251.20000113.4I210 T212 R213 A217 L218 W219I210-S215 WeakPolarHBondContact O-CB 3.37Å; I210-S215 PolarHBondContact O-OG 3.01Å; T212-S215 PolarHBondContact N-OG 2.89Å; T212-S215 PolarHBondContact O-N 3.35Å; T212-S215 PolarHBondContact O-OG 2.84Å; T212-S215 VanDerWaalsContact O-OG 3.08Å; T212-S215 PolarHBondContact OG1-N 3.41Å; T212-S215 PolarHBondContact OG1-OG 3.48Å; R213-S215 VanDerWaalsContact C-N 3.28Å; R213-S215 PolarHBondContact O-N 2.88Å; S215-A217 VanDerWaalsContact C-N 3.26Å; S215-A217 PolarHBondContact O-N 3.16Å; S215-A217 VanDerWaalsContact O-N 3.16Å; S215-L218 WeakPolarHBondContact O-CA 3.43Å; S215-L218 WeakPolarHBondContact O-CB 3.49Å; S215-L218 PolarHBondContact O-N 3.5Å; S215-W219 VanDerWaalsContact C-CD1 3.47Å; S215-W219 PolarHBondContact O-NE1 3.02Å; S215-W219 PolarHBondContact OG-NE1 3.18Å
216S92.4Very high91.6Very high30 Ų3062.3 Ų62.321%0.2131%0.311CS..Hα-helixtrans-44.5-47.2-177.2430000113.5T212 R213 L218 W219 E220T212-S216 PolarHBondContact O-N 3.48Å; T212-S216 VanDerWaalsContact O-N 3.12Å; R213-S216 WeakPolarHBondContact O-CB 3.41Å; R213-S216 PolarHBondContact O-N 3.27Å; R213-S216 PolarHBondContact O-OG 3.28Å; S216-L218 PolarHBondContact O-N 3.48Å; S216-W219 VanDerWaalsContact CA-NE1 3.32Å; S216-W219 PolarHBondContact O-N 3.18Å; S216-E220 WeakPolarHBondContact CB-OE1 3.41Å; S216-E220 WeakPolarHBondContact O-CB 3.4Å; S216-E220 WeakPolarHBondContact O-CG 3.43Å; S216-E220 PolarHBondContact O-N 2.79Å
217A87.2Confident91.2Very high73 Ų7366.6 Ų66.660%0.60333%0.331SS*.Hα-helixtrans-55.4-24.8177.600000114.6S215S215-A217 VanDerWaalsContact C-N 3.26Å; S215-A217 PolarHBondContact O-N 3.16Å; S215-A217 VanDerWaalsContact O-N 3.16Å
218L85.1Confident90.6Very high43 Ų4367.4 Ų67.423%0.22534%0.335CS..Hα-helixtrans-90.5-17179.3-58.6177.8000113.6V209 S215 S216 I224V209-L218 HydrophobicContact CG1-CB 4.27Å; S215-L218 WeakPolarHBondContact O-CA 3.43Å; S215-L218 WeakPolarHBondContact O-CB 3.49Å; S215-L218 PolarHBondContact O-N 3.5Å; S216-L218 PolarHBondContact O-N 3.48Å; L218-I224 WeakPolarHBondContact O-CG2 3.32Å
219W88.4Confident90.4Very high60 Ų6070.1 Ų70.123%0.22734%0.344CS..Hα-helixtrans-126.2-10.8-175.264-100.5000115.9K211 T212 S215 S216 N221 V225 I237K211-W219 HydrophobicContact CG-CD2 3.82Å; K211-W219 HydrophobicContact CG-CE3 4.06Å; K211-W219 HydrophobicContact CG-CG 4.34Å; K211-W219 HydrophobicContact CG-CH2 4.39Å; K211-W219 HydrophobicContact CG-CZ2 4.13Å; K211-W219 HydrophobicContact CG-CZ3 4.34Å; T212-W219 PolarHBondContact O-NE1 3.46Å; S215-W219 VanDerWaalsContact C-CD1 3.47Å; S215-W219 PolarHBondContact O-NE1 3.02Å; S215-W219 PolarHBondContact OG-NE1 3.18Å; S216-W219 VanDerWaalsContact CA-NE1 3.32Å; S216-W219 PolarHBondContact O-N 3.18Å; W219-N221 VanDerWaalsContact C-N 3.34Å; W219-V225 VanDerWaalsContact CA-CG2 3.41Å; W219-V225 HydrophobicContact CB-CG2 3.94Å; W219-V225 VanDerWaalsContact O-CG2 3.28Å; W219-V225 WeakPolarHBondContact O-CG2 3.36Å; W219-I237 HydrophobicContact CB-CD1 3.64Å; W219-I237 HydrophobicContact CG-CD1 4.09Å
220E90.6Very high90.3Very high129 Ų12976.1 Ų76.160%0.60337%0.369SS*.SBendtrans-74.8-27.3173.5-73.3177.3172.800112.1S216S216-E220 WeakPolarHBondContact CB-OE1 3.41Å; S216-E220 WeakPolarHBondContact O-CB 3.4Å; S216-E220 WeakPolarHBondContact O-CG 3.43Å; S216-E220 PolarHBondContact O-N 2.79Å
221N87.4Confident89.8Confident72 Ų7280.4 Ų80.439%0.38539%0.389SS..SBendtrans-87115.4173.4-174.3-32.7000110.5W219 D223 I224 V225W219-N221 VanDerWaalsContact C-N 3.34Å; N221-D223 VanDerWaalsContact C-N 3.3Å; N221-D223 PolarHBondContact O-N 2.91Å; N221-D223 WeakPolarHBondContact OD1-CB 3.06Å; N221-D223 PolarHBondContact OD1-N 3.21Å; N221-I224 HydrophobicContact CB-CB 4.19Å; N221-I224 HydrophobicContact CB-CD1 3.82Å; N221-I224 HydrophobicContact CB-CG1 3.89Å; N221-I224 PolarHBondContact O-N 2.72Å; N221-I224 PolarHBondContact OD1-N 2.74Å; N221-V225 WeakPolarHBondContact O-CG2 3.38Å; N221-V225 PolarHBondContact O-N 2.92Å
222K88.7Confident89.7Confident167 Ų16776.4 Ų76.473%0.72637%0.372SS*.Hα-helixtrans-58.8-38.3-179.9-72-174.4178.4179.10113.2I224 V225 D226K222-I224 PolarHBondContact O-N 2.84Å; K222-V225 WeakPolarHBondContact O-CB 3.47Å; K222-V225 PolarHBondContact O-N 2.73Å; K222-D226 WeakPolarHBondContact O-CB 3.41Å; K222-D226 PolarHBondContact O-N 2.68Å
223D89.1Confident89.6Confident126 Ų12679.8 Ų79.867%0.67440%0.396SS*.Hα-helixtrans-67-40.7-178.4-58.7-32000110.9N221 D226 E227N221-D223 VanDerWaalsContact C-N 3.3Å; N221-D223 PolarHBondContact O-N 2.91Å; N221-D223 WeakPolarHBondContact OD1-CB 3.06Å; N221-D223 PolarHBondContact OD1-N 3.21Å; D223-D226 PolarHBondContact O-N 3.24Å; D223-E227 PolarHBondContact O-N 2.64Å
224I86.4Confident89.6Confident66 Ų6676.2 Ų76.234%0.33839%0.389SS..Hα-helixtrans-62.9-45.1174-60.6-178.8000110.1L218 N221 K222 D226 E227 L228L218-I224 WeakPolarHBondContact O-CG2 3.32Å; N221-I224 HydrophobicContact CB-CB 4.19Å; N221-I224 HydrophobicContact CB-CD1 3.82Å; N221-I224 HydrophobicContact CB-CG1 3.89Å; N221-I224 PolarHBondContact O-N 2.72Å; N221-I224 PolarHBondContact OD1-N 2.74Å; K222-I224 PolarHBondContact O-N 2.84Å; I224-D226 PolarHBondContact O-N 3.36Å; I224-E227 PolarHBondContact O-N 3.41Å; I224-L228 HydrophobicContact CG2-CD1 3.99Å; I224-L228 HydrophobicContact CG2-CG 4.4Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.45Å; I224-L228 PolarHBondContact O-N 3.34Å
225V87.7Confident89.7Confident16 Ų1676.6 Ų76.610%0.09739%0.39CS..Hα-helixtrans-61.1-44.9178.4171.30000111.5W219 N221 K222 E227 L228 K229W219-V225 VanDerWaalsContact CA-CG2 3.41Å; W219-V225 HydrophobicContact CB-CG2 3.94Å; W219-V225 VanDerWaalsContact O-CG2 3.28Å; W219-V225 WeakPolarHBondContact O-CG2 3.36Å; N221-V225 WeakPolarHBondContact O-CG2 3.38Å; N221-V225 PolarHBondContact O-N 2.92Å; K222-V225 WeakPolarHBondContact O-CB 3.47Å; K222-V225 PolarHBondContact O-N 2.73Å; V225-E227 VanDerWaalsContact C-N 3.31Å; V225-E227 PolarHBondContact O-N 3.33Å; V225-L228 PolarHBondContact O-N 2.94Å; V225-K229 HydrophobicContact CG1-CD 4.3Å; V225-K229 HydrophobicContact CG1-CG 4.38Å; V225-K229 VanDerWaalsContact O-CG 3.31Å; V225-K229 WeakPolarHBondContact O-CG 3.46Å; V225-K229 PolarHBondContact O-N 3.43Å
226D90.6Very high89.8Confident77 Ų7780.9 Ų80.941%0.41240%0.404SS..Hα-helixtrans-68.8-32.8-177.5-72.8-19.1000111.6K222 D223 I224 K229 K230K222-D226 WeakPolarHBondContact O-CB 3.41Å; K222-D226 PolarHBondContact O-N 2.68Å; D223-D226 PolarHBondContact O-N 3.24Å; I224-D226 PolarHBondContact O-N 3.36Å; D226-K229 IonicContact OD1-NZ 2.84Å; D226-K229 PolarHBondContact OD1-NZ 3Å; D226-K230 WeakPolarHBondContact O-CG 3.42Å; D226-K230 PolarHBondContact O-N 3.11Å
227E89Confident89.9Confident89 Ų8980.4 Ų80.442%0.41640%0.399SS..Hα-helixtrans-67.3-45.8169.8-170.254-140.800112.1D223 I224 V225 K229 K230D223-E227 PolarHBondContact O-N 2.64Å; I224-E227 PolarHBondContact O-N 3.41Å; V225-E227 VanDerWaalsContact C-N 3.31Å; V225-E227 PolarHBondContact O-N 3.33Å; E227-K229 VanDerWaalsContact C-N 3.29Å; E227-K229 PolarHBondContact O-N 3.01Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.25Å; E227-K230 VanDerWaalsContact O-N 3.08Å; E227-K230 WeakPolarHBondContact OE2-CD 3.38Å; E227-K230 WeakPolarHBondContact OE2-CE 3.27Å; E227-K230 IonicContact OE2-NZ 3.3Å; E227-K230 PolarHBondContact OE2-NZ 2.84Å
228L87.3Confident90.4Very high22 Ų2277.5 Ų77.512%0.11538%0.376CS..Hα-helixtrans-57.3-42.5175.2-73.9169.6000111.6V209 I224 V225 K230 Q231 L232 M269V209-L228 HydrophobicContact CB-CD1 4.42Å; V209-L228 HydrophobicContact CG1-CD1 4.19Å; V209-L228 HydrophobicContact CG2-CD1 3.98Å; V209-L228 HydrophobicContact CG2-CD2 4.13Å; I224-L228 HydrophobicContact CG2-CD1 3.99Å; I224-L228 HydrophobicContact CG2-CG 4.4Å; I224-L228 WeakPolarHBondContact O-CB 3.44Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.45Å; I224-L228 PolarHBondContact O-N 3.34Å; V225-L228 PolarHBondContact O-N 2.94Å; L228-K230 PolarHBondContact O-N 3.28Å; L228-Q231 WeakPolarHBondContact O-CB 3.38Å; L228-Q231 PolarHBondContact O-N 3.16Å; L228-L232 WeakPolarHBondContact O-CG 3.18Å; L228-L232 PolarHBondContact O-N 3.11Å; L228-M269 HydrophobicContact CD2-CE 4.24Å
229K90.9Very high91Very high69 Ų6979.1 Ų79.130%0.338%0.383SS..Hα-helixtrans-59.2-31178-75.2175.5-171152.70112.9V225 D226 E227 Q231 L232 K235V225-K229 HydrophobicContact CG1-CD 4.3Å; V225-K229 HydrophobicContact CG1-CG 4.38Å; V225-K229 VanDerWaalsContact O-CG 3.31Å; V225-K229 WeakPolarHBondContact O-CG 3.46Å; V225-K229 PolarHBondContact O-N 3.43Å; D226-K229 IonicContact OD1-NZ 2.84Å; D226-K229 PolarHBondContact OD1-NZ 3Å; E227-K229 VanDerWaalsContact C-N 3.29Å; E227-K229 PolarHBondContact O-N 3.01Å; K229-Q231 PolarHBondContact O-N 3.3Å; K229-L232 PolarHBondContact O-N 3.44Å; K229-K235 WeakPolarHBondContact CD-O 3.29Å; K229-K235 WeakPolarHBondContact CG-O 3.42Å; K229-K235 VanDerWaalsContact O-CD 3.27Å; K229-K235 WeakPolarHBondContact O-CD 3.38Å; K229-K235 PolarHBondContact O-NZ 3.33Å
230K90.4Very high91.4Very high138 Ų13876.9 Ų76.960%0.638%0.376SS*.Hα-helixtrans-62.8-36.3177-65.6172-165.5166.20111.1D226 E227 L228 K235D226-K230 WeakPolarHBondContact O-CG 3.42Å; D226-K230 PolarHBondContact O-N 3.11Å; E227-K230 WeakPolarHBondContact O-CB 3.49Å; E227-K230 PolarHBondContact O-N 3.25Å; E227-K230 VanDerWaalsContact O-N 3.08Å; E227-K230 WeakPolarHBondContact OE2-CD 3.38Å; E227-K230 WeakPolarHBondContact OE2-CE 3.27Å; E227-K230 IonicContact OE2-NZ 3.3Å; E227-K230 PolarHBondContact OE2-NZ 2.84Å; L228-K230 PolarHBondContact O-N 3.28Å; K230-K235 PolarHBondContact O-NZ 2.89Å; K230-K235 VanDerWaalsContact O-NZ 3.14Å
231Q87.3Confident91.8Very high99 Ų9976 Ų7646%0.46337%0.372SS..Hα-helixtrans-79.3-17.9179.4-55.7178.55.400113.7L228 K229L228-Q231 WeakPolarHBondContact O-CB 3.38Å; L228-Q231 PolarHBondContact O-N 3.16Å; K229-Q231 PolarHBondContact O-N 3.3Å
232L92.1Very high92.3Very high7 Ų776.1 Ų76.14%0.03737%0.37CS..  trans-90.8137.2-178.5-63.9173.9000111.5L228 K229 K235 R236 T266 M269L228-L232 WeakPolarHBondContact O-CG 3.18Å; L228-L232 PolarHBondContact O-N 3.11Å; K229-L232 PolarHBondContact O-N 3.44Å; L232-K235 VanDerWaalsContact O-CD 3.24Å; L232-K235 WeakPolarHBondContact O-CD 3.46Å; L232-K235 WeakPolarHBondContact O-CE 3.41Å; L232-K235 PolarHBondContact O-NZ 3.22Å; L232-R236 VanDerWaalsContact CD1-O 3.27Å; L232-R236 WeakPolarHBondContact CD1-O 3.26Å; L232-T266 WeakPolarHBondContact CD2-O 3.24Å; L232-M269 HydrophobicContact CD2-CB 3.85Å; L232-M269 HydrophobicContact CD2-CE 3.99Å
233S94.6Very high92.8Very high88 Ų8868.1 Ų68.162%0.61534%0.335SS*.SBendtrans-72.1-35.8172.9-55.70000112.1K235 G267 G268S233-K235 VanDerWaalsContact C-N 3.29Å; S233-K235 PolarHBondContact O-N 3.43Å; S233-G267 PolarHBondContact N-O 3.48Å; S233-G268 PolarHBondContact OG-O 3.32Å
234I94.4Very high93.3Very high101 Ų10162.1 Ų62.152%0.51830%0.303SS..SBendtrans-84-1.3-178.6-60.1-176.6000112.6R236 G267I234-R236 HydrophobicContact CG2-CG 4Å; I234-R236 PolarHBondContact O-N 3Å; I234-G267 PolarHBondContact N-O 2.97Å
235K93.1Very high93.8Very high119 Ų11960.4 Ų60.452%0.51730%0.301SS..SBendtrans54.422.8173.1-53-60.2171.6-158.40116K229 K230 L232 S233K229-K235 WeakPolarHBondContact CD-O 3.29Å; K229-K235 WeakPolarHBondContact CG-O 3.42Å; K229-K235 VanDerWaalsContact O-CD 3.27Å; K229-K235 WeakPolarHBondContact O-CD 3.38Å; K229-K235 PolarHBondContact O-NZ 3.33Å; K230-K235 PolarHBondContact O-NZ 2.89Å; K230-K235 VanDerWaalsContact O-NZ 3.14Å; L232-K235 VanDerWaalsContact O-CD 3.24Å; L232-K235 WeakPolarHBondContact O-CD 3.46Å; L232-K235 WeakPolarHBondContact O-CE 3.41Å; L232-K235 PolarHBondContact O-NZ 3.22Å; S233-K235 VanDerWaalsContact C-N 3.29Å; S233-K235 PolarHBondContact O-N 3.43Å
236R94.2Very high94.4Very high107 Ų10761 Ų6140%0.40431%0.305SS..SBendtrans-146.8156169.360.7165.5-177.685.1-0.7111L232 I234 E242L232-R236 VanDerWaalsContact CD1-O 3.27Å; L232-R236 WeakPolarHBondContact CD1-O 3.26Å; I234-R236 HydrophobicContact CG2-CG 4Å; I234-R236 PolarHBondContact O-N 3Å; R236-E242 IonicContact CZ-OE1 3.6Å; R236-E242 IonicContact CZ-OE2 3.73Å; R236-E242 IonicContact NH1-OE1 2.71Å; R236-E242 PolarHBondContact NH1-OE1 3.33Å; R236-E242 IonicContact NH1-OE2 2.79Å; R236-E242 PolarHBondContact NH1-OE2 3.39Å; R236-E242 IonicContact NH2-OE1 2.99Å; R236-E242 PolarHBondContact NH2-OE1 3.44Å; R236-E242 IonicContact NH2-OE2 3.57Å
237I94.1Very high94.8Very high21 Ų2157.3 Ų57.311%0.10829%0.286CS..  trans-68.7157.4167.864.3177.5000110.5V209 K211 W219V209-I237 HydrophobicContact CB-CG2 4.4Å; V209-I237 HydrophobicContact CG1-CG2 4.13Å; K211-I237 HydrophobicContact CB-CD1 3.84Å; K211-I237 HydrophobicContact CB-CG1 4.45Å; K211-I237 HydrophobicContact CD-CD1 4.27Å; K211-I237 HydrophobicContact CG-CD1 4.03Å; W219-I237 HydrophobicContact CB-CD1 3.64Å; W219-I237 HydrophobicContact CG-CD1 4.09Å
238G96.4Very high95.2Very high12 Ų1253.1 Ų53.112%0.12427%0.266CS..BIsolated β-bridgetrans-82.3159.4-179.600000112.8V209 I210 K211 E242V209-G238 PolarHBondContact O-N 2.98Å; I210-G238 CarbonylContact C-O 3.49Å; I210-G238 VanDerWaalsContact CA-O 3.3Å; I210-G238 WeakPolarHBondContact CA-O 3.45Å; K211-G238 PolarHBondContact N-O 3.45Å; G238-E242 WeakPolarHBondContact CA-OE2 3.21Å
239E97.8Very high95.7Very high76 Ų7655.7 Ų55.736%0.35528%0.276SS..  trans-104.4151.2172.6-62.5-63.2166.200110.7E241 E242E239-E241 PolarHBondContact O-N 2.86Å; E239-E241 VanDerWaalsContact O-N 3.16Å; E239-E242 PolarHBondContact N-OE2 2.84Å; E239-E242 WeakPolarHBondContact O-CB 3.32Å; E239-E242 PolarHBondContact O-N 2.96Å; E239-E242 VanDerWaalsContact O-N 3.1Å
240P98.4Very high96.1Very high13 Ų1352.4 Ų52.48%0.08426%0.262CS..Hα-helixtrans-54-35.5-177.6-2938.1000114.5A42 I210 T212 E242 I243 G244A42-P240 VanDerWaalsContact CB-C 3.44Å; A42-P240 HydrophobicContact CB-CB 3.64Å; A42-P240 VanDerWaalsContact CB-O 3.3Å; A42-P240 WeakPolarHBondContact CB-O 3.34Å; I210-P240 HydrophobicContact CG2-CB 4.47Å; I210-P240 HydrophobicContact CG2-CG 4.06Å; T212-P240 HydrophobicContact CG2-CG 3.91Å; P240-E242 PolarHBondContact O-N 3.2Å; P240-I243 WeakPolarHBondContact O-CB 3.5Å; P240-I243 PolarHBondContact O-N 3.43Å; P240-I243 VanDerWaalsContact O-N 3.1Å; P240-G244 PolarHBondContact O-N 3.23Å
241E98.4Very high96.5Very high112 Ų11246 Ų4652%0.52323%0.234SC..Hα-helixtrans-61.9-31.9-179.1-65.175-166.300112.4E239 I243 G244 G245E239-E241 PolarHBondContact O-N 2.86Å; E239-E241 VanDerWaalsContact O-N 3.16Å; E241-I243 VanDerWaalsContact C-N 3.26Å; E241-I243 PolarHBondContact O-N 3.26Å; E241-G244 PolarHBondContact O-N 3.5Å; E241-G245 PolarHBondContact O-N 3.37Å
242E98.3Very high97Very high73 Ų7341.3 Ų41.334%0.34121%0.213SC..Hα-helixtrans-66.4-32.7177.7-58.3-177.7106.200110.9R236 G238 E239 P240 T246R236-E242 IonicContact CZ-OE1 3.6Å; R236-E242 IonicContact CZ-OE2 3.73Å; R236-E242 IonicContact NH1-OE1 2.71Å; R236-E242 PolarHBondContact NH1-OE1 3.33Å; R236-E242 IonicContact NH1-OE2 2.79Å; R236-E242 PolarHBondContact NH1-OE2 3.39Å; R236-E242 IonicContact NH2-OE1 2.99Å; R236-E242 PolarHBondContact NH2-OE1 3.44Å; R236-E242 IonicContact NH2-OE2 3.57Å; G238-E242 WeakPolarHBondContact CA-OE2 3.21Å; E239-E242 PolarHBondContact N-OE2 2.84Å; E239-E242 WeakPolarHBondContact O-CB 3.32Å; E239-E242 PolarHBondContact O-N 2.96Å; E239-E242 VanDerWaalsContact O-N 3.1Å; P240-E242 PolarHBondContact O-N 3.2Å; E242-T246 PolarHBondContact O-OG1 3.11Å
243I98.8Very high97.1Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-78-43.9173.9-50.9-52.2000110.9I39 V205 P207 I210 P240 E241 G245 T246 I247 V265I39-I243 HydrophobicContact CD1-CG1 4.28Å; I39-I243 HydrophobicContact CG1-CB 4.36Å; I39-I243 HydrophobicContact CG1-CG1 4.26Å; I39-I243 HydrophobicContact CG1-CG2 4.48Å; I39-I243 HydrophobicContact CG2-CB 4.07Å; I39-I243 HydrophobicContact CG2-CG2 3.54Å; V205-I243 HydrophobicContact CG1-CG2 3.96Å; P207-I243 HydrophobicContact CB-CD1 3.71Å; P207-I243 HydrophobicContact CB-CG1 4.08Å; P207-I243 HydrophobicContact CG-CD1 4.03Å; P207-I243 HydrophobicContact CG-CG1 4.19Å; P207-I243 HydrophobicContact CG-CG2 3.92Å; I210-I243 HydrophobicContact CD1-CD1 3.77Å; I210-I243 HydrophobicContact CD1-CG1 3.89Å; I210-I243 HydrophobicContact CG1-CD1 4.14Å; I210-I243 HydrophobicContact CG1-CG1 3.87Å; P240-I243 WeakPolarHBondContact O-CB 3.5Å; P240-I243 PolarHBondContact O-N 3.43Å; P240-I243 VanDerWaalsContact O-N 3.1Å; E241-I243 VanDerWaalsContact C-N 3.26Å; E241-I243 PolarHBondContact O-N 3.26Å; I243-G245 VanDerWaalsContact C-N 3.29Å; I243-G245 PolarHBondContact O-N 3.25Å; I243-T246 PolarHBondContact O-N 3.14Å; I243-I247 HydrophobicContact CG2-CD1 3.95Å; I243-I247 HydrophobicContact CG2-CG1 4.45Å; I243-I247 WeakPolarHBondContact O-CG1 3.48Å; I243-I247 PolarHBondContact O-N 3.37Å; I243-V265 HydrophobicContact CD1-CB 3.57Å; I243-V265 HydrophobicContact CD1-CG1 3.55Å; I243-V265 HydrophobicContact CD1-CG2 4.35Å
244G98.6Very high97.2Very high0 Ų045.2 Ų45.20%023%0.227CC..Hα-helixtrans-57.1-42.3178.100000112.5A46 P240 E241 I247 A248A46-G244 VanDerWaalsContact CB-C 3.45Å; A46-G244 VanDerWaalsContact CB-O 3.25Å; A46-G244 WeakPolarHBondContact CB-O 3.25Å; P240-G244 PolarHBondContact O-N 3.23Å; E241-G244 PolarHBondContact O-N 3.5Å; G244-I247 PolarHBondContact O-N 3.08Å; G244-A248 WeakPolarHBondContact O-CB 3.37Å; G244-A248 PolarHBondContact O-N 3.39Å
245G98.3Very high97.3Very high29 Ų2940.4 Ų40.430%0.29920%0.202SC..Hα-helixtrans-60.5-44.4175.900000113.4E241 I243 A248 F249E241-G245 PolarHBondContact O-N 3.37Å; I243-G245 VanDerWaalsContact C-N 3.29Å; I243-G245 PolarHBondContact O-N 3.25Å; G245-A248 PolarHBondContact O-N 3.36Å; G245-F249 PolarHBondContact O-N 2.78Å
246T98.7Very high97.5Very high29 Ų2937.6 Ų37.618%0.17820%0.197CC..Hα-helixtrans-64.7-42176-57.20000112V205 E242 I243 A248 F249 L250 V263 V265V205-T246 HydrophobicContact CG1-CG2 4.5Å; V205-T246 HydrophobicContact CG2-CG2 4.14Å; E242-T246 PolarHBondContact O-OG1 3.11Å; I243-T246 PolarHBondContact O-N 3.14Å; T246-A248 VanDerWaalsContact C-N 3.34Å; T246-A248 PolarHBondContact O-N 3.02Å; T246-F249 WeakPolarHBondContact O-CB 3.5Å; T246-F249 PolarHBondContact O-N 3.04Å; T246-L250 HydrophobicContact CG2-CD1 4.32Å; T246-L250 WeakPolarHBondContact O-CG 3.48Å; T246-L250 PolarHBondContact O-N 3.45Å; T246-V263 HydrophobicContact CG2-CB 4.22Å; T246-V263 HydrophobicContact CG2-CG1 3.82Å; T246-V265 HydrophobicContact CG2-CG2 3.87Å
247I98.8Very high97.6Very high0 Ų043.2 Ų43.20%022%0.22CC..Hα-helixtrans-59.5-47.7176-69.2169000110.1I39 A43 V109 I160 V162 V205 I243 G244 F249 L250 C251I39-I247 HydrophobicContact CG2-CD1 4.37Å; A43-I247 HydrophobicContact CB-CB 4.49Å; A43-I247 HydrophobicContact CB-CD1 3.79Å; A43-I247 HydrophobicContact CB-CG2 4.27Å; V109-I247 HydrophobicContact CG1-CD1 4.17Å; V109-I247 HydrophobicContact CG1-CG2 4.15Å; V109-I247 HydrophobicContact CG2-CG2 3.65Å; I160-I247 HydrophobicContact CG1-CG2 4.48Å; I160-I247 HydrophobicContact CG2-CG1 4.2Å; I160-I247 HydrophobicContact CG2-CG2 4.37Å; V162-I247 HydrophobicContact CG2-CD1 4.02Å; V205-I247 HydrophobicContact CB-CG1 4.44Å; V205-I247 HydrophobicContact CG2-CG1 3.84Å; I243-I247 HydrophobicContact CG2-CD1 3.95Å; I243-I247 HydrophobicContact CG2-CG1 4.45Å; I243-I247 WeakPolarHBondContact O-CG1 3.48Å; I243-I247 PolarHBondContact O-N 3.37Å; G244-I247 PolarHBondContact O-N 3.08Å; I247-F249 VanDerWaalsContact C-N 3.32Å; I247-F249 PolarHBondContact O-N 3.32Å; I247-L250 PolarHBondContact O-N 3.36Å; I247-C251 PolarHBondContact O-N 3.37Å; I247-C251 VanDerWaalsContact O-N 3.08Å; I247-C251 PolarHBondContact O-SG 2.97Å; I247-C251 VanDerWaalsContact O-SG 3.35Å
248A98.6Very high97.8Very high0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-63.9-36.2179.700000112.8A46 L47 R50 G244 G245 T246 C251 S252A46-A248 HydrophobicContact CB-CB 3.82Å; L47-A248 HydrophobicContact CD2-CB 4.11Å; L47-A248 HydrophobicContact CG-CB 4.48Å; R50-A248 PolarHBondContact NH1-O 3.37Å; G244-A248 WeakPolarHBondContact O-CB 3.37Å; G244-A248 PolarHBondContact O-N 3.39Å; G245-A248 PolarHBondContact O-N 3.36Å; T246-A248 VanDerWaalsContact C-N 3.34Å; T246-A248 PolarHBondContact O-N 3.02Å; A248-C251 PolarHBondContact O-N 3.04Å; A248-S252 PolarHBondContact O-N 2.92Å
249F98.4Very high97.9Very high77 Ų7746.8 Ų46.834%0.33824%0.238SC..Hα-helixtrans-60.7-50.5170.5163.5-104.2000111.7G245 T246 I247 C251 S252 D254 A255 I258G245-F249 PolarHBondContact O-N 2.78Å; T246-F249 WeakPolarHBondContact O-CB 3.5Å; T246-F249 PolarHBondContact O-N 3.04Å; I247-F249 VanDerWaalsContact C-N 3.32Å; I247-F249 PolarHBondContact O-N 3.32Å; F249-C251 PolarHBondContact O-N 3.28Å; F249-S252 WeakPolarHBondContact O-CB 3.46Å; F249-S252 PolarHBondContact O-N 3.25Å; F249-S252 PolarHBondContact O-OG 3.49Å; F249-D254 HydrophobicContact CD2-CB 4.11Å; F249-D254 HydrophobicContact CE2-CB 3.77Å; F249-A255 HydrophobicContact CE1-CB 4.26Å; F249-A255 HydrophobicContact CE2-CB 4.44Å; F249-A255 HydrophobicContact CZ-CB 4.15Å; F249-A255 WeakPolarHBondContact O-CB 3.44Å; F249-I258 HydrophobicContact CE1-CD1 3.94Å; F249-I258 HydrophobicContact CZ-CD1 3.95Å
250L98.6Very high97.9Very high0 Ų043.7 Ų43.70%023%0.227CC..Hα-helixtrans-61.7-27.1-178.9-72.7174.9000113I160 R201 N203 V205 T246 I247 A255 I258 V263I160-L250 HydrophobicContact CD1-CB 3.71Å; I160-L250 HydrophobicContact CD1-CD1 4.31Å; R201-L250 VanDerWaalsContact CZ-O 3.26Å; R201-L250 PolarHBondContact NH1-O 3.12Å; R201-L250 PolarHBondContact NH2-O 2.89Å; N203-L250 HydrophobicContact CB-CD1 4.27Å; V205-L250 HydrophobicContact CG2-CD1 3.54Å; T246-L250 HydrophobicContact CG2-CD1 4.32Å; T246-L250 WeakPolarHBondContact O-CG 3.48Å; T246-L250 PolarHBondContact O-N 3.45Å; I247-L250 PolarHBondContact O-N 3.36Å; L250-A255 HydrophobicContact CD2-CB 4.47Å; L250-I258 HydrophobicContact CD2-CD1 4.46Å; L250-I258 HydrophobicContact CD2-CG2 4.08Å; L250-V263 HydrophobicContact CD1-CB 4.47Å; L250-V263 HydrophobicContact CD1-CG2 4.04Å; L250-V263 HydrophobicContact CD2-CG2 4Å; L250-V263 HydrophobicContact CG-CG2 4.47Å
251C98.6Very high97.9Very high3 Ų347.4 Ų47.42%0.0224%0.243CC..THydrogen-bonded Turntrans-82.2-11.4174.9-64.50000114.6L47 I107 N158 I160 I247 A248 F249L47-C251 HydrophobicContact CD2-CB 4.01Å; I107-C251 HydrophobicContact CD1-CB 3.83Å; I107-C251 HydrophobicContact CG1-CB 4.26Å; I107-C251 HydrophobicContact CG2-CB 4.43Å; I107-C251 VanDerWaalsContact CG2-SG 3.53Å; N158-C251 HydrophobicContact CB-CB 4.49Å; N158-C251 PolarHBondContact ND2-O 3.47Å; I160-C251 VanDerWaalsContact CG1-SG 3.58Å; I247-C251 PolarHBondContact O-N 3.37Å; I247-C251 VanDerWaalsContact O-N 3.08Å; I247-C251 PolarHBondContact O-SG 2.97Å; I247-C251 VanDerWaalsContact O-SG 3.35Å; A248-C251 PolarHBondContact O-N 3.04Å; F249-C251 PolarHBondContact O-N 3.28Å
252S97.3Very high97.9Very high1 Ų142.5 Ų42.51%0.00722%0.221CC..SBendtrans-89.4168-176.374.10000113.3R201 A248 F249 D254 A255R201-S252 PolarHBondContact NH2-O 2.92Å; A248-S252 PolarHBondContact O-N 2.92Å; F249-S252 WeakPolarHBondContact O-CB 3.46Å; F249-S252 PolarHBondContact O-N 3.25Å; F249-S252 PolarHBondContact O-OG 3.49Å; S252-D254 PolarHBondContact O-N 3.18Å; S252-D254 PolarHBondContact OG-N 2.84Å; S252-A255 PolarHBondContact O-N 3.06Å; S252-A255 VanDerWaalsContact O-N 3.1Å
253D94.9Very high97.9Very high95 Ų9541.3 Ų41.351%0.50822%0.219SC..G310 helixtrans-67.5-16.3176-68.9-16.5000113.2R18 A255 S256R18-D253 PolarHBondContact NH2-O 3.11Å; D253-A255 PolarHBondContact O-N 3.01Å; D253-S256 WeakPolarHBondContact O-CB 3.22Å; D253-S256 PolarHBondContact O-N 3.41Å; D253-S256 VanDerWaalsContact O-N 3.1Å; D253-S256 PolarHBondContact O-OG 3.23Å
254D96.1Very high97.9Very high82 Ų8243.5 Ų43.544%0.43923%0.232SC..G310 helixtrans-66.5-24.4172.6-63.6-19.9000111.4S23 F249 S252S23-D254 WeakPolarHBondContact CB-OD2 3.16Å; F249-D254 HydrophobicContact CD2-CB 4.11Å; F249-D254 HydrophobicContact CE2-CB 3.77Å; S252-D254 PolarHBondContact O-N 3.18Å; S252-D254 PolarHBondContact OG-N 2.84Å
255A97Very high97.8Very high0 Ų044.9 Ų44.90%024%0.241CC..G310 helixtrans-98.218.7174.300000112.4R201 F249 L250 S252 D253 Y257 I258R201-A255 VanDerWaalsContact CZ-O 3.24Å; R201-A255 PolarHBondContact NH1-O 3.11Å; F249-A255 HydrophobicContact CE1-CB 4.26Å; F249-A255 HydrophobicContact CE2-CB 4.44Å; F249-A255 HydrophobicContact CZ-CB 4.15Å; F249-A255 WeakPolarHBondContact O-CB 3.44Å; L250-A255 HydrophobicContact CD2-CB 4.47Å; S252-A255 PolarHBondContact O-N 3.06Å; S252-A255 VanDerWaalsContact O-N 3.1Å; D253-A255 PolarHBondContact O-N 3.01Å; A255-Y257 PolarHBondContact O-N 3.2Å; A255-I258 HydrophobicContact CB-CB 4.33Å; A255-I258 HydrophobicContact CB-CD1 4Å; A255-I258 HydrophobicContact CB-CG1 4.36Å; A255-I258 PolarHBondContact O-N 2.72Å
256S96.4Very high97.7Very high59 Ų5944.3 Ų44.341%0.41323%0.231SC..THydrogen-bonded Turntrans-58.5-19.9-173.165.60000114.4R18 D253R18-S256 PolarHBondContact NH1-OG 2.88Å; D253-S256 WeakPolarHBondContact O-CB 3.22Å; D253-S256 PolarHBondContact O-N 3.41Å; D253-S256 VanDerWaalsContact O-N 3.1Å; D253-S256 PolarHBondContact O-OG 3.23Å
257Y97.1Very high97.4Very high225 Ų22544.1 Ų44.188%0.88224%0.235SC*.THydrogen-bonded Turntrans-107.415.1177.7-155.1-121.9000113.7A255A255-Y257 PolarHBondContact O-N 3.2Å
258I98.5Very high97.1Very high49 Ų4946 Ų4625%0.25126%0.255SS..  trans-111.6113.8179.1-52.4178.2000108.9R201 N203 F249 L250 A255 E261R201-I258 WeakPolarHBondContact CD-O 3.29Å; R201-I258 PolarHBondContact NH1-O 2.93Å; N203-I258 PolarHBondContact ND2-O 3.23Å; F249-I258 HydrophobicContact CE1-CD1 3.94Å; F249-I258 HydrophobicContact CZ-CD1 3.95Å; L250-I258 HydrophobicContact CD2-CD1 4.46Å; L250-I258 HydrophobicContact CD2-CG2 4.08Å; A255-I258 HydrophobicContact CB-CB 4.33Å; A255-I258 HydrophobicContact CB-CD1 4Å; A255-I258 HydrophobicContact CB-CG1 4.36Å; A255-I258 PolarHBondContact O-N 2.72Å; I258-E261 HydrophobicContact CG2-CB 3.91Å; I258-E261 HydrophobicContact CG2-CG 4.21Å
259T98.7Very high96.8Very high59 Ų5946.6 Ų46.636%0.36226%0.257SS..  trans-151.2150.7172.1-166.30000109.7R201 V202 N203 E261R201-T259 WeakPolarHBondContact CA-OG1 3.25Å; V202-T259 PolarHBondContact N-OG1 3.02Å; N203-T259 WeakPolarHBondContact OD1-CA 3.46Å; N203-T259 PolarHBondContact OD1-N 3.38Å; T259-E261 PolarHBondContact O-N 3.48Å
260G98.5Very high96.2Very high12 Ų1247.4 Ų47.412%0.12427%0.273CS..SBendtrans75.11.9-174.800000114.4A192 V202 N203A192-G260 VanDerWaalsContact CB-CA 3.41Å; V202-G260 WeakPolarHBondContact O-CA 3.41Å; V202-G260 PolarHBondContact O-N 3.36Å; N203-G260 PolarHBondContact OD1-N 3.16Å
261E98.3Very high95.6Very high90 Ų9048.4 Ų48.442%0.42128%0.279SS..  trans-96.4153.7-172-74.9-55.1138.900112.9N203 C204 I258 T259N203-E261 CarbonylContact C-O 3.43Å; N203-E261 WeakPolarHBondContact CA-O 3.49Å; N203-E261 PolarHBondContact OD1-N 3.43Å; N203-E261 VanDerWaalsContact OD1-N 3.12Å; C204-E261 PolarHBondContact N-O 3.01Å; I258-E261 HydrophobicContact CG2-CB 3.91Å; I258-E261 HydrophobicContact CG2-CG 4.21Å; T259-E261 PolarHBondContact O-N 3.48Å
262T98.3Very high94.8Very high10 Ų1052.9 Ų52.96%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-116.2121.9168-56.60000109.5Y168 L185 C204 A206 R272Y168-T262 HydrophobicContact CE2-CG2 4.09Å; Y168-T262 VanDerWaalsContact OH-CB 3.25Å; Y168-T262 WeakPolarHBondContact OH-CB 3.48Å; Y168-T262 WeakPolarHBondContact OH-CG2 3.4Å; L185-T262 HydrophobicContact CD2-CG2 3.73Å; C204-T262 HydrophobicContact CB-CG2 3.89Å; C204-T262 WeakPolarHBondContact CB-OG1 3.38Å; C204-T262 CarbonylContact O-C 3.59Å; C204-T262 VanDerWaalsContact O-CA 3.27Å; C204-T262 WeakPolarHBondContact O-CA 3.44Å; A206-T262 HydrophobicContact CB-CG2 3.74Å; T262-R272 VanDerWaalsContact CB-NH2 3.26Å; T262-R272 VanDerWaalsContact CG2-NH2 3.27Å; T262-R272 VanDerWaalsContact O-CZ 3.29Å; T262-R272 PolarHBondContact O-NH1 3.1Å; T262-R272 PolarHBondContact O-NH2 3.32Å
263V98.1Very high93.3Very high48 Ų4864.9 Ų64.929%0.29136%0.358SS..EExtended strand (participates in β ladder)trans-93.4117.9174.3-177.10000109.6C204 V205 A206 T246 L250 V265C204-V263 PolarHBondContact O-N 3.09Å; V205-V263 CarbonylContact C-O 3.56Å; V205-V263 WeakPolarHBondContact CA-O 3.42Å; A206-V263 PolarHBondContact N-O 3.29Å; T246-V263 HydrophobicContact CG2-CB 4.22Å; T246-V263 HydrophobicContact CG2-CG1 3.82Å; L250-V263 HydrophobicContact CD1-CB 4.47Å; L250-V263 HydrophobicContact CD1-CG2 4.04Å; L250-V263 HydrophobicContact CD2-CG2 4Å; L250-V263 HydrophobicContact CG-CG2 4.47Å; V263-V265 HydrophobicContact CG1-CG2 4.16Å
264T97.4Very high93.2Very high45 Ų4563.4 Ų63.428%0.27635%0.351SS..EExtended strand (participates in β ladder)trans-81.5125172.737.80000110.3Y168 A206 T266Y168-T264 HydrophobicContact CD2-CG2 4.22Å; Y168-T264 HydrophobicContact CE2-CG2 4Å; A206-T264 HydrophobicContact CB-CG2 4Å; A206-T264 WeakPolarHBondContact O-CA 3.4Å; T264-T266 HydrophobicContact CG2-CG2 4.35Å
265V97.4Very high93Very high30 Ų3062.4 Ų62.418%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-121.181176.6-1700000107.7V205 A206 G208 I243 T246 V263V205-V265 HydrophobicContact CG1-CG2 3.93Å; A206-V265 PolarHBondContact O-N 3.04Å; G208-V265 PolarHBondContact N-O 2.94Å; I243-V265 HydrophobicContact CD1-CB 3.57Å; I243-V265 HydrophobicContact CD1-CG1 3.55Å; I243-V265 HydrophobicContact CD1-CG2 4.35Å; T246-V265 HydrophobicContact CG2-CG2 3.87Å; V263-V265 HydrophobicContact CG1-CG2 4.16Å
266T95.3Very high92.8Very high17 Ų1765.8 Ų65.810%0.10437%0.366CS..SBendtrans-126.38.2-161.7640000114.2V165 L232 T264 G268 M269V165-T266 HydrophobicContact CB-CG2 3.94Å; V165-T266 HydrophobicContact CG2-CG2 3.85Å; L232-T266 WeakPolarHBondContact CD2-O 3.24Å; T264-T266 HydrophobicContact CG2-CG2 4.35Å; T266-G268 PolarHBondContact O-N 2.64Å; T266-G268 VanDerWaalsContact O-N 3.16Å; T266-M269 PolarHBondContact O-N 3.28Å; T266-M269 PolarHBondContact OG1-N 2.71Å; T266-M269 PolarHBondContact OG1-O 2.89Å
267G94.1Very high92.6Very high24 Ų2466.2 Ų66.225%0.24736%0.363CS..THydrogen-bonded Turntrans61.922.6-177.900000114.2S233 I234S233-G267 PolarHBondContact N-O 3.48Å; I234-G267 PolarHBondContact N-O 2.97Å
268G92.1Very high92.3Very high41 Ų4156.3 Ų56.342%0.42333%0.33SS..THydrogen-bonded Turntrans88.613-178.300000115.1S233 T266 S270S233-G268 PolarHBondContact OG-O 3.32Å; T266-G268 PolarHBondContact O-N 2.64Å; T266-G268 VanDerWaalsContact O-N 3.16Å; G268-S270 PolarHBondContact O-N 2.82Å
269M90.9Very high91.9Very high11 Ų1156.8 Ų56.85%0.05434%0.336CS..  trans-57.5124.4169.8-168.3173.8-8800110V165 L228 L232 T266 C271V165-M269 HydrophobicContact CB-SD 4.43Å; V165-M269 HydrophobicContact CG1-SD 3.88Å; V165-M269 HydrophobicContact CG2-CG 4.44Å; V165-M269 HydrophobicContact CG2-SD 3.81Å; L228-M269 HydrophobicContact CD2-CE 4.24Å; L232-M269 HydrophobicContact CD2-CB 3.85Å; L232-M269 HydrophobicContact CD2-CE 3.99Å; T266-M269 PolarHBondContact O-N 3.28Å; T266-M269 PolarHBondContact OG1-N 2.71Å; T266-M269 PolarHBondContact OG1-O 2.89Å; M269-C271 PolarHBondContact O-N 3.08Å; M269-C271 VanDerWaalsContact O-N 3.12Å; M269-C271 PolarHBondContact O-SG 2.97Å; M269-C271 VanDerWaalsContact O-SG 3.36Å
270S86.9Confident91.4Very high95 Ų9556.6 Ų56.666%0.66433%0.334SS*.  trans-63.6111.9174.7-175.90000109.2Q169 G268Q169-S270 PolarHBondContact OE1-O 3.23Å; G268-S270 PolarHBondContact O-N 2.82Å
271C85.1Confident90.9Very high20 Ų2060.1 Ų60.114%0.13535%0.35CS..  trans-143.1-2-178.657.20000113.1V165 Y168 M269V165-C271 HydrophobicContact CG2-CB 3.44Å; V165-C271 VanDerWaalsContact CG2-CB 3.44Å; Y168-C271 VanDerWaalsContact CB-O 3.26Å; Y168-C271 WeakPolarHBondContact CB-O 3.37Å; M269-C271 PolarHBondContact O-N 3.08Å; M269-C271 VanDerWaalsContact O-N 3.12Å; M269-C271 PolarHBondContact O-SG 2.97Å; M269-C271 VanDerWaalsContact O-SG 3.36Å
272R81.9Confident90.3Very high98 Ų9857.6 Ų57.637%0.3734%0.344SS..  trans-144.5152.5175-62.8-174.7-175.8167.75.9107.8Y168 T262Y168-R272 HydrophobicContact CD1-CG 4.1Å; Y168-R272 HydrophobicContact CE1-CG 4.26Å; Y168-R272 HydrophobicContact CG-CG 4.48Å; Y168-R272 VanDerWaalsContact CZ-NE 3.3Å; Y168-R272 PolarHBondContact OH-NH2 3.21Å; T262-R272 VanDerWaalsContact CB-NH2 3.26Å; T262-R272 VanDerWaalsContact CG2-NH2 3.27Å; T262-R272 VanDerWaalsContact O-CZ 3.29Å; T262-R272 PolarHBondContact O-NH1 3.1Å; T262-R272 PolarHBondContact O-NH2 3.32Å
273L65.6Low89.5Confident252 Ų25261.9 Ų61.9100%1.31937%0.37SS*.  trans-720174.5-67.9172000111.4

Retrieved 273 of 273 residues in 346.6 ms (Link to these results)

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