A0A096MKZ6_PAPAN Loading...

MIER family member 3

AlphaFold DB (A0A1D5Q5U8), UniProt , Accession A0A096MKZ6, Species PAPAN (Papio anubis, Olive baboon), Gene MIER3, Length 555 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low35.4Very low240 Ų240133.2 Ų133.2100%1.18283%0.831SS**  0115.50-178.9176.8-175.700105.2
2A35.3Very low35.3Very low83 Ų83132.9 Ų132.969%0.68683%0.828SS**  trans60.1143.2-154.100000113.2
3E33.8Very low35.1Very low187 Ų187130.3 Ų130.387%0.87482%0.816SS**  cis79.7143.324.5-61.5-166.7118.900115.5
4A37.9Very low34.6Very low86 Ų86135.5 Ų135.571%0.71182%0.821SS**  cis-170-173.7-17.500000109.5
5S33.1Very low34.7Very low117 Ų117135.5 Ų135.582%0.81881%0.812SS**  trans92.2134.9160.8-155.50000118.4
6F36.1Very low35.2Very low215 Ų215134.8 Ų134.894%0.94381%0.812SS**  trans-134.8152.7170.8-95.3-84.2000108
7G31.5Very low35.4Very low70 Ų70134.4 Ų134.472%0.72281%0.81SS**  trans-170.5143.617200000115.6
8S32.7Very low35.2Very low122 Ų122130.7 Ų130.785%0.85380%0.804SS**  trans60.5115.7157.8-165.90000119.7
9S31.6Very low35.3Very low118 Ų118129.7 Ų129.783%0.82580%0.803SS**  -163.3142.4124.7-82.80000113.4
10S34.3Very low35.4Very low114 Ų114132.1 Ų132.180%0.79781%0.809SS**  trans-141.3154.8165.7-70.70000104.8
11P48.9Very low35.4Very low113 Ų113131.7 Ų131.773%0.73481%0.812SS**  -158.8171.958.145.5-24.2000119
12V34.2Very low35.7Very low130 Ų130125 Ų12579%0.78879%0.789SS**  trans42.4141.6130.21750000120.7
13C33.5Very low36.3Very low99 Ų99128.8 Ų128.867%0.66979%0.792SS**  cis-177.5166-18.6-91.90000107.5
14F28Very low37.1Very low203 Ų203127 Ų12789%0.8979%0.789SS**  179.2174.5124.4-110.2-83000113.3
15I35.4Very low37.4Very low135 Ų135130.8 Ų130.869%0.69279%0.791SS**  trans-140.5140.3-152.1-78168.8000109.9V17I15-V17 HydrophobicContact CG2-CG2 3.94Å
16P43.6Very low38.5Very low125 Ų125133.1 Ų133.181%0.81280%0.795SS**  -158.618098.740.5-20000118.1
17V37.7Very low39.3Very low128 Ų128132.3 Ų132.378%0.77679%0.791SS**  cis-166.9138.9-41.5145.30000108.6I15I15-V17 HydrophobicContact CG2-CG2 3.94Å
18G32.5Very low40.7Very low68 Ų68136 Ų13670%0.70179%0.794SS**  trans83.1159.6153.900000118.7
19S37.3Very low42Very low112 Ų112133.7 Ų133.778%0.78378%0.777SS**  cis-168.5170.6-9.6-93.80000111.7
20L37.3Very low43.5Very low176 Ų176132.6 Ų132.692%0.92177%0.765SS**  trans87.3118.5165.9-50.1-178.7000118.9
21S34.6Very low44.6Very low124 Ų124130.9 Ų130.987%0.86776%0.757SS**  trans-151159.4142.8-167.60000107.8
22S41.2Very low45Very low101 Ų101133.4 Ų133.471%0.70676%0.76SS**  trans-85.2167.1-169.6440000115.3
23E46.9Very low46.1Very low162 Ų162133.6 Ų133.676%0.75775%0.753SS**  trans-82.7129.2170.8-1651189700109.7
24D50Low47.4Very low150 Ų150133.2 Ų133.280%0.80274%0.744SS**  trans-108.6136166.4-75-48.8000108.7
25H46.1Very low48.8Very low164 Ų164128.2 Ų128.276%0.75973%0.73SS**  trans-107.9115.9176.4-77.3-47.5000110.2
26D54.8Low49.8Very low166 Ų166129.8 Ų129.889%0.88873%0.734SS**  trans-59.8134.4170.2-67.2-58000110.9D28D26-D28 PolarHBondContact O-N 3.19Å
27F54.3Low50.2Low198 Ų198129.3 Ų129.387%0.86873%0.725SS**  trans-96.189.8-174-154-81.8000110.8P29F27-P29 WeakPolarHBondContact O-CD 3.41Å
28D60.8Low50.9Low147 Ų147133 Ų13379%0.78673%0.726SS**  trans-79.4114.7-176.5-150.28.6000110.6D26 T30D26-D28 PolarHBondContact O-N 3.19Å; D28-T30 PolarHBondContact O-N 2.96Å
29P59.9Low52.1Low75 Ų75135.8 Ų135.849%0.48773%0.725SS.*  trans-67.9124.8-172.525.9-33.1000111.7F27F27-P29 WeakPolarHBondContact O-CD 3.41Å
30T62.2Low52.9Low95 Ų95136.4 Ų136.458%0.58372%0.72SS**  trans-70.8143.9-175.8-60.50000111.4D28 E32 M33D28-T30 PolarHBondContact O-N 2.96Å; T30-E32 PolarHBondContact O-N 3.21Å; T30-M33 WeakPolarHBondContact O-CB 3.43Å; T30-M33 PolarHBondContact O-N 2.93Å
31A57.6Low53.8Low77 Ų77133.3 Ų133.364%0.63670%0.701SS**G310 helixtrans-57.3-16.7-174.800000116.1M33 L34A31-M33 PolarHBondContact O-N 3.1Å; A31-L34 PolarHBondContact O-N 3.48Å
32E57.8Low54.8Low167 Ų167136.5 Ų136.578%0.7869%0.693SS**G310 helixtrans-72.3-9.1171.1-67.4-172.5145.100113.5T30 V35T30-E32 PolarHBondContact O-N 3.21Å; E32-V35 WeakPolarHBondContact O-CG2 3.26Å
33M57.4Low55.6Low133 Ų133136.2 Ų136.266%0.65569%0.688SS**G310 helixtrans-85.9-19.9170.1-71.6178.56100113.6T30 A31T30-M33 WeakPolarHBondContact O-CB 3.43Å; T30-M33 PolarHBondContact O-N 2.93Å; A31-M33 PolarHBondContact O-N 3.1Å
34L59.9Low55.9Low92 Ų92132.7 Ų132.748%0.48267%0.674SS.*G310 helixtrans-92.21.6-177.1-71.691.1000113.7A31 H36 D37A31-L34 PolarHBondContact O-N 3.48Å; L34-H36 PolarHBondContact O-N 2.92Å; L34-D37 WeakPolarHBondContact CA-OD2 3.43Å; L34-D37 WeakPolarHBondContact CB-OD2 3.42Å; L34-D37 WeakPolarHBondContact CG-OD2 3.38Å; L34-D37 PolarHBondContact O-N 3.02Å
35V58Low56.3Low97 Ų97132 Ų13259%0.58867%0.665SS**G310 helixtrans-78.33.4175.8-71.10000113.9E32E32-V35 WeakPolarHBondContact O-CG2 3.26Å
36H55.4Low57Low168 Ų168129.2 Ų129.278%0.77865%0.653SS**G310 helixtrans-100.3-2.7168.3-64.6-45.9000113.5L34 Y38L34-H36 PolarHBondContact O-N 2.92Å; H36-Y38 PolarHBondContact O-N 3.48Å; H36-Y38 VanDerWaalsContact O-N 3.07Å
37D52.7Low57.1Low115 Ų115128.6 Ų128.662%0.61565%0.645SS**  trans-78.819.5175.7-56.1-28.1000112.7L34 D39L34-D37 WeakPolarHBondContact CA-OD2 3.43Å; L34-D37 WeakPolarHBondContact CB-OD2 3.42Å; L34-D37 WeakPolarHBondContact CG-OD2 3.38Å; L34-D37 PolarHBondContact O-N 3.02Å; D37-D39 VanDerWaalsContact C-N 3.3Å; D37-D39 PolarHBondContact O-N 3.46Å; D37-D39 VanDerWaalsContact O-N 3.13Å
38Y52.7Low57.3Low206 Ų206125.9 Ų125.981%0.80864%0.635SS**  trans-87.573.6175.8-103.4-76.6000110.6H36 D40H36-Y38 PolarHBondContact O-N 3.48Å; H36-Y38 VanDerWaalsContact O-N 3.07Å; Y38-D40 PolarHBondContact O-N 3.04Å
39D57.5Low57.2Low126 Ų126125 Ų12567%0.67463%0.627SS**  trans-29.795.4170.6-159.440000113.1D37 E41D37-D39 VanDerWaalsContact C-N 3.3Å; D37-D39 PolarHBondContact O-N 3.46Å; D37-D39 VanDerWaalsContact O-N 3.13Å; D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 3.2Å; D39-E41 WeakPolarHBondContact OD1-CG 3.48Å
40D54.3Low56.8Low126 Ų126128.9 Ų128.967%0.67464%0.641SS**THydrogen-bonded Turntrans-88.89.3-173.553.9-32.2000113.8Y38 R42 T43Y38-D40 PolarHBondContact O-N 3.04Å; D40-R42 PolarHBondContact O-N 3.29Å; D40-T43 VanDerWaalsContact O-CB 3.3Å; D40-T43 WeakPolarHBondContact O-CB 3.42Å; D40-T43 PolarHBondContact O-N 2.98Å; D40-T43 PolarHBondContact O-OG1 3.35Å
41E55.8Low56.3Low111 Ų111128.2 Ų128.252%0.51963%0.634SS.*Hα-helixtrans-39.6-35.1162.8-70.6-73.9162.800113.3D39 T43 L44 E45D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 3.2Å; D39-E41 WeakPolarHBondContact OD1-CG 3.48Å; E41-T43 PolarHBondContact O-N 3.12Å; E41-T43 VanDerWaalsContact O-N 3.16Å; E41-L44 WeakPolarHBondContact O-CB 3.43Å; E41-L44 PolarHBondContact O-N 3.34Å; E41-E45 PolarHBondContact O-N 3.39Å
42R56.3Low55.8Low190 Ų190134 Ų13472%0.71765%0.648SS**Hα-helixtrans-61.6-23.3176.9-162.7178.3-166.4-70.2-12.3113.8D40D40-R42 PolarHBondContact O-N 3.29Å
43T56.5Low55.7Low95 Ų95128.2 Ų128.258%0.58363%0.633SS**Hα-helixtrans-85.5-34.9174.8-27.20000110.6D40 E41 E46 E47D40-T43 VanDerWaalsContact O-CB 3.3Å; D40-T43 WeakPolarHBondContact O-CB 3.42Å; D40-T43 PolarHBondContact O-N 2.98Å; D40-T43 PolarHBondContact O-OG1 3.35Å; E41-T43 PolarHBondContact O-N 3.12Å; E41-T43 VanDerWaalsContact O-N 3.16Å; T43-E46 PolarHBondContact O-N 2.74Å; T43-E47 PolarHBondContact O-N 3.19Å
44L54.2Low55.9Low89 Ų89127.4 Ų127.447%0.46663%0.626SS.*Hα-helixtrans-71-42.9179.6-157.4159.2000110.9E41 E46 E47 E48E41-L44 WeakPolarHBondContact O-CB 3.43Å; E41-L44 PolarHBondContact O-N 3.34Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 2.93Å; L44-E47 PolarHBondContact O-N 3.27Å; L44-E48 HydrophobicContact CD2-CG 4.31Å; L44-E48 PolarHBondContact O-N 3.1Å
45E58.7Low55.9Low134 Ų134129 Ų12963%0.62664%0.635SS**Hα-helixtrans-64.2-30.9172.5-170.4-178-13800112.4E41 M49E41-E45 PolarHBondContact O-N 3.39Å; E45-M49 WeakPolarHBondContact O-CE 3.37Å; E45-M49 PolarHBondContact O-N 3.25Å
46E60.1Low56.4Low107 Ų107130.5 Ų130.550%0.563%0.634SS.*Hα-helixtrans-77.2-26.6174.6-168.2165.3176.800112.5T43 L44T43-E46 PolarHBondContact O-N 2.74Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 PolarHBondContact O-N 2.93Å
47E57.2Low57.3Low153 Ų153126.5 Ų126.572%0.71563%0.625SS**Hα-helixtrans-80.5-43.6174.9-163.8159.8-132.700111.9T43 L44 M49 M50T43-E47 PolarHBondContact O-N 3.19Å; L44-E47 PolarHBondContact O-N 3.27Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.42Å; E47-M50 PolarHBondContact O-N 2.9Å
48E59Low58.3Low140 Ų140124.2 Ų124.265%0.65462%0.618SS**Hα-helixtrans-59.6-37.9174.6-79.7-157.3139.400112.6L44 M50 D51L44-E48 HydrophobicContact CD2-CG 4.31Å; L44-E48 PolarHBondContact O-N 3.1Å; E48-M50 PolarHBondContact O-N 3.29Å; E48-M50 VanDerWaalsContact O-N 3.13Å; E48-D51 PolarHBondContact O-N 3.4Å
49M58.1Low59.7Low129 Ų129119.8 Ų119.864%0.63560%0.604SS**THydrogen-bonded Turntrans-71.1-6.1-178.478.9170.468.700114.8E45 E47E45-M49 WeakPolarHBondContact O-CE 3.37Å; E45-M49 PolarHBondContact O-N 3.25Å; E47-M49 VanDerWaalsContact C-N 3.32Å; E47-M49 PolarHBondContact O-N 3.42Å
50M50.8Low60.8Low156 Ų156118.6 Ų118.677%0.76860%0.597SS**THydrogen-bonded Turntrans-97.5-12.2168.4-59.9-144.2-165.400113.3E47 E48E47-M50 PolarHBondContact O-N 2.9Å; E48-M50 PolarHBondContact O-N 3.29Å; E48-M50 VanDerWaalsContact O-N 3.13Å
51D51.3Low62.2Low82 Ų82119.1 Ų119.144%0.43960%0.595SS.*  trans-94.77.4-175.5-166.818000113.2E48 G53 K54E48-D51 PolarHBondContact O-N 3.4Å; D51-G53 PolarHBondContact O-N 3.46Å; D51-K54 WeakPolarHBondContact OD1-CE 3.42Å; D51-K54 VanDerWaalsContact OD1-CG 3.31Å; D51-K54 WeakPolarHBondContact OD1-CG 3.48Å; D51-K54 IonicContact OD1-NZ 2.62Å; D51-K54 PolarHBondContact OD1-NZ 2.77Å; D51-K54 IonicContact OD2-NZ 3.39Å; D51-K54 PolarHBondContact OD2-NZ 3.12Å
52E48.4Very low63.6Low198 Ų198117.5 Ų117.593%0.92559%0.59SS**THydrogen-bonded Turntrans-69.919.6169.7-150.3-178.1-149.500113
53G56.4Low64.9Low46 Ų46113.6 Ų113.647%0.47458%0.583SS.*THydrogen-bonded Turntrans-150.646.6-170.900000113.6D51 N55D51-G53 PolarHBondContact O-N 3.46Å; G53-N55 VanDerWaalsContact C-N 3.35Å; G53-N55 PolarHBondContact O-N 3.49Å
54K59.9Low66.3Low116 Ų116115.5 Ų115.550%0.50459%0.585SS.*  trans-58.892.4173.9-75.4-170.6173.458.50111.9D51 F56D51-K54 WeakPolarHBondContact OD1-CE 3.42Å; D51-K54 VanDerWaalsContact OD1-CG 3.31Å; D51-K54 WeakPolarHBondContact OD1-CG 3.48Å; D51-K54 IonicContact OD1-NZ 2.62Å; D51-K54 PolarHBondContact OD1-NZ 2.77Å; D51-K54 IonicContact OD2-NZ 3.39Å; D51-K54 PolarHBondContact OD2-NZ 3.12Å; K54-F56 VanDerWaalsContact C-N 3.31Å; K54-F56 HydrophobicContact CB-CE1 4.4Å; K54-F56 HydrophobicContact CB-CZ 4.39Å; K54-F56 WeakPolarHBondContact O-CD2 3.47Å; K54-F56 PolarHBondContact O-N 2.98Å
55N60.9Low67.7Low124 Ų124116.5 Ų116.566%0.66359%0.586SS**  trans-74.783.3173.5-70.5-26.8000109.3G53 S57 S58G53-N55 VanDerWaalsContact C-N 3.35Å; G53-N55 PolarHBondContact O-N 3.49Å; N55-S57 PolarHBondContact O-N 3.45Å; N55-S58 PolarHBondContact O-N 3.18Å; N55-S58 PolarHBondContact O-OG 3.32Å
56F67.4Low68.9Low130 Ų130112.4 Ų112.457%0.5757%0.567SS**Hα-helixtrans-49.2-18-179.6-57.9-73.4000114.7K54 S58 E59 I60K54-F56 VanDerWaalsContact C-N 3.31Å; K54-F56 HydrophobicContact CB-CE1 4.4Å; K54-F56 HydrophobicContact CB-CZ 4.39Å; K54-F56 WeakPolarHBondContact O-CD2 3.47Å; K54-F56 PolarHBondContact O-N 2.98Å; F56-S58 VanDerWaalsContact C-N 3.29Å; F56-S58 PolarHBondContact O-N 3.43Å; F56-E59 PolarHBondContact O-N 3.45Å; F56-I60 HydrophobicContact CB-CD1 4.24Å; F56-I60 WeakPolarHBondContact O-CB 3.3Å; F56-I60 WeakPolarHBondContact O-CD1 3.12Å; F56-I60 WeakPolarHBondContact O-CG1 3.49Å; F56-I60 PolarHBondContact O-N 3.02Å
57S75.1Confident69.9Low84 Ų84110.6 Ų110.659%0.58758%0.577SS**Hα-helixtrans-56.6-35.1172.255.50000114.2N55 E61N55-S57 PolarHBondContact O-N 3.45Å; S57-E61 VanDerWaalsContact O-CB 3.24Å; S57-E61 WeakPolarHBondContact O-CB 3.42Å; S57-E61 PolarHBondContact O-N 2.85Å
58S74.9Confident71.1Confident67 Ų67108.5 Ų108.547%0.46957%0.574SS.*Hα-helixtrans-76.1-40.2178.454.40000112.1N55 F56 I60 E61 D62N55-S58 PolarHBondContact O-N 3.18Å; N55-S58 PolarHBondContact O-OG 3.32Å; F56-S58 VanDerWaalsContact C-N 3.29Å; F56-S58 PolarHBondContact O-N 3.43Å; S58-I60 VanDerWaalsContact C-N 3.31Å; S58-I60 PolarHBondContact O-N 3.1Å; S58-E61 PolarHBondContact O-N 3.37Å; S58-D62 PolarHBondContact O-N 2.94Å
59E81.4Confident72.2Confident112 Ų112104.3 Ų104.352%0.52356%0.555SS.*Hα-helixtrans-60.9-41.6172.9-173-178.6176.800111F56 L63F56-E59 PolarHBondContact O-N 3.45Å; E59-L63 HydrophobicContact CG-CD1 4.32Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 VanDerWaalsContact O-CG 3.22Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 3.14Å
60I80.4Confident73.5Confident102 Ų102101.8 Ų101.852%0.52355%0.549SS..Hα-helixtrans-68.7-39.6175.1-68.1165.4000111.7F56 S58 L63 E64F56-I60 HydrophobicContact CB-CD1 4.24Å; F56-I60 WeakPolarHBondContact O-CB 3.3Å; F56-I60 WeakPolarHBondContact O-CD1 3.12Å; F56-I60 WeakPolarHBondContact O-CG1 3.49Å; F56-I60 PolarHBondContact O-N 3.02Å; S58-I60 VanDerWaalsContact C-N 3.31Å; S58-I60 PolarHBondContact O-N 3.1Å; I60-L63 PolarHBondContact O-N 3.46Å; I60-E64 WeakPolarHBondContact O-CB 3.22Å; I60-E64 PolarHBondContact O-N 3.19Å
61E84.4Confident74.9Confident136 Ų136100 Ų10064%0.63654%0.542SS*.Hα-helixtrans-64.9-41.7176.9-177.4172.1-169.100111.6S57 S58 K65S57-E61 VanDerWaalsContact O-CB 3.24Å; S57-E61 WeakPolarHBondContact O-CB 3.42Å; S57-E61 PolarHBondContact O-N 2.85Å; S58-E61 PolarHBondContact O-N 3.37Å; E61-K65 WeakPolarHBondContact O-CB 3.4Å; E61-K65 PolarHBondContact O-N 3.16Å
62D84.3Confident76.4Confident77 Ų77101.9 Ų101.941%0.41255%0.548SS..Hα-helixtrans-67.7-39174.4-82.5-43.7000112.3S58 K65 E66S58-D62 PolarHBondContact O-N 2.94Å; D62-K65 PolarHBondContact O-N 3.28Å; D62-K65 IonicContact OD1-NZ 2.6Å; D62-K65 PolarHBondContact OD1-NZ 3.26Å; D62-E66 PolarHBondContact O-N 3.12Å
63L84.6Confident78Confident108 Ų10896.8 Ų96.857%0.56553%0.527SS*.Hα-helixtrans-67.8-37.5174.8-72.8170000113.3E59 I60 G67E59-L63 HydrophobicContact CG-CD1 4.32Å; E59-L63 WeakPolarHBondContact O-CB 3.4Å; E59-L63 VanDerWaalsContact O-CG 3.22Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 3.14Å; I60-L63 PolarHBondContact O-N 3.46Å; L63-G67 PolarHBondContact O-N 3.1Å
64E85Confident79.3Confident136 Ų13696.3 Ų96.364%0.63651%0.514SS*.Hα-helixtrans-69.7-36.1174-175.1169.8-153.900111.2I60 G67 T68I60-E64 WeakPolarHBondContact O-CB 3.22Å; I60-E64 PolarHBondContact O-N 3.19Å; E64-G67 PolarHBondContact O-N 3.46Å; E64-T68 WeakPolarHBondContact O-CB 3.36Å; E64-T68 WeakPolarHBondContact O-CG2 3.35Å; E64-T68 PolarHBondContact O-N 2.63Å; E64-T68 PolarHBondContact O-OG1 2.86Å
65K83.4Confident80.3Confident109 Ų10993.9 Ų93.947%0.47451%0.506SS..Hα-helixtrans-66.6-41.1174175.6-179.6128.3-139.90112.3E61 D62 T68 M69E61-K65 WeakPolarHBondContact O-CB 3.4Å; E61-K65 PolarHBondContact O-N 3.16Å; D62-K65 PolarHBondContact O-N 3.28Å; D62-K65 IonicContact OD1-NZ 2.6Å; D62-K65 PolarHBondContact OD1-NZ 3.26Å; K65-T68 PolarHBondContact O-N 3.23Å; K65-T68 PolarHBondContact O-OG1 3.01Å; K65-M69 WeakPolarHBondContact O-CB 3.4Å; K65-M69 PolarHBondContact O-N 3.39Å
66E84.3Confident81.3Confident48 Ų4890.6 Ų90.622%0.22450%0.496CS..Hα-helixtrans-65.7-45.6170.7-77-170.7-153.800111.2D62 T68 M69 L74 Y78D62-E66 PolarHBondContact O-N 3.12Å; E66-T68 PolarHBondContact O-N 2.89Å; E66-T68 VanDerWaalsContact O-N 3.1Å; E66-M69 PolarHBondContact O-N 2.93Å; E66-M69 VanDerWaalsContact O-N 3.12Å; E66-L74 HydrophobicContact CB-CD2 4.02Å; E66-L74 HydrophobicContact CG-CD2 4.1Å; E66-Y78 VanDerWaalsContact CD-OH 3.27Å; E66-Y78 PolarHBondContact OE1-OH 3.38Å; E66-Y78 PolarHBondContact OE2-OH 3.35Å
67G80.8Confident81.7Confident69 Ų6991.1 Ų91.171%0.71150%0.498SS*.Hα-helixtrans-62.9-15.117700000115.4L63 E64L63-G67 PolarHBondContact O-N 3.1Å; E64-G67 PolarHBondContact O-N 3.46Å
68T82.6Confident81.9Confident109 Ų10993.7 Ų93.767%0.66950%0.496SS*.THydrogen-bonded Turntrans-109.50176.9520000114E64 K65 E66E64-T68 WeakPolarHBondContact O-CB 3.36Å; E64-T68 WeakPolarHBondContact O-CG2 3.35Å; E64-T68 PolarHBondContact O-N 2.63Å; E64-T68 PolarHBondContact O-OG1 2.86Å; K65-T68 PolarHBondContact O-N 3.23Å; K65-T68 PolarHBondContact O-OG1 3.01Å; E66-T68 PolarHBondContact O-N 2.89Å; E66-T68 VanDerWaalsContact O-N 3.1Å
69M82.6Confident81.7Confident52 Ų5293.6 Ų93.626%0.25651%0.505SS..SBendtrans-82.5144.3-178.9-173.6178.1-58.100112.2K65 E66 D73 L74K65-M69 WeakPolarHBondContact O-CB 3.4Å; K65-M69 PolarHBondContact O-N 3.39Å; E66-M69 PolarHBondContact O-N 2.93Å; E66-M69 VanDerWaalsContact O-N 3.12Å; M69-D73 HydrophobicContact CG-CB 3.68Å; M69-D73 HydrophobicContact SD-CB 3.79Å; M69-L74 HydrophobicContact CB-CD1 4.38Å; M69-L74 HydrophobicContact CB-CD2 4.1Å; M69-L74 HydrophobicContact CB-CG 3.89Å; M69-L74 HydrophobicContact CG-CD2 4.36Å; M69-L74 HydrophobicContact CG-CG 4Å; M69-L74 HydrophobicContact SD-CD2 3.94Å; M69-L74 HydrophobicContact SD-CG 4.01Å
70P84.9Confident81Confident76 Ų7696.2 Ų96.249%0.49451%0.512SS..  trans-59.5147.8172.7-24.535.6000113.1E72 D73 L74P70-E72 PolarHBondContact O-N 2.9Å; P70-D73 WeakPolarHBondContact CG-OD2 3.16Å; P70-D73 PolarHBondContact O-N 2.6Å; P70-L74 PolarHBondContact O-N 2.69Å
71L80.5Confident80.2Confident120 Ų12099.4 Ų99.463%0.62853%0.525SS*.Hα-helixtrans-61.3-40-174.8-173.963000113.3D73 L74 L75L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 3.11Å; L71-L74 PolarHBondContact O-N 2.94Å; L71-L75 HydrophobicContact CG-CD1 4.09Å; L71-L75 WeakPolarHBondContact O-CB 3.08Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.07Å
72E82.6Confident78.5Confident121 Ų12196 Ų9657%0.56551%0.514SS*.Hα-helixtrans-57.6-40.9172-98.770.2-16100113.3P70 L75 A76 P82P70-E72 PolarHBondContact O-N 2.9Å; E72-L75 PolarHBondContact O-N 3.43Å; E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.27Å; E72-P82 HydrophobicContact CG-CG 4.26Å
73D82.6Confident76.6Confident90 Ų9099.1 Ų99.148%0.48154%0.536SS..Hα-helixtrans-74.8-37.8-177.3-65-36.7000110.9M69 P70 L71 A76 F77M69-D73 HydrophobicContact CG-CB 3.68Å; M69-D73 HydrophobicContact SD-CB 3.79Å; P70-D73 WeakPolarHBondContact CG-OD2 3.16Å; P70-D73 PolarHBondContact O-N 2.6Å; L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 3.11Å; D73-A76 PolarHBondContact O-N 3.33Å; D73-F77 WeakPolarHBondContact O-CB 3.24Å; D73-F77 PolarHBondContact O-N 2.87Å
74L83.1Confident74.6Confident37 Ų37100.9 Ų100.919%0.19455%0.545CS..Hα-helixtrans-61.4-46.3169.7-76.5169000111.8E66 M69 P70 L71 A76 F77 Y78E66-L74 HydrophobicContact CB-CD2 4.02Å; E66-L74 HydrophobicContact CG-CD2 4.1Å; M69-L74 HydrophobicContact CB-CD1 4.38Å; M69-L74 HydrophobicContact CB-CD2 4.1Å; M69-L74 HydrophobicContact CB-CG 3.89Å; M69-L74 HydrophobicContact CG-CD2 4.36Å; M69-L74 HydrophobicContact CG-CG 4Å; M69-L74 HydrophobicContact SD-CD2 3.94Å; M69-L74 HydrophobicContact SD-CG 4.01Å; P70-L74 PolarHBondContact O-N 2.69Å; L71-L74 PolarHBondContact O-N 2.94Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.9Å; L74-F77 WeakPolarHBondContact O-CB 3.42Å; L74-F77 PolarHBondContact O-N 3.15Å; L74-Y78 HydrophobicContact CD2-CE2 4.4Å; L74-Y78 VanDerWaalsContact O-CD2 3.3Å; L74-Y78 WeakPolarHBondContact O-CD2 3.14Å; L74-Y78 PolarHBondContact O-N 3.47Å
75L80Confident72.6Confident64 Ų64100 Ų10034%0.33555%0.551SS.*Hα-helixtrans-59.3-44176.8-77.1167.3000110.8L71 E72 F77 Y78 G79 Y80L71-L75 HydrophobicContact CG-CD1 4.09Å; L71-L75 WeakPolarHBondContact O-CB 3.08Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.07Å; E72-L75 PolarHBondContact O-N 3.43Å; L75-F77 PolarHBondContact O-N 2.69Å; L75-Y78 CarbonylContact O-C 3.27Å; L75-Y78 PolarHBondContact O-N 3.47Å; L75-G79 PolarHBondContact O-N 2.72Å; L75-G79 VanDerWaalsContact O-N 3.12Å; L75-Y80 CarbonylContact C-O 3.55Å; L75-Y80 HydrophobicContact CD2-CD2 4.44Å; L75-Y80 HydrophobicContact CD2-CG 4.14Å; L75-Y80 WeakPolarHBondContact O-CA 3.43Å; L75-Y80 WeakPolarHBondContact O-CB 3.39Å; L75-Y80 PolarHBondContact O-N 3.16Å
76A81.9Confident70Confident56 Ų5699.4 Ų99.446%0.46357%0.566SS.*Hα-helixtrans-62.1-40.9174.500000112.9E72 D73 L74 Y78 G79E72-A76 WeakPolarHBondContact O-CB 3.32Å; E72-A76 PolarHBondContact O-N 3.27Å; D73-A76 PolarHBondContact O-N 3.33Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 2.9Å; A76-Y78 VanDerWaalsContact C-N 3.32Å; A76-Y78 PolarHBondContact O-N 2.89Å; A76-G79 PolarHBondContact O-N 3.02Å; A76-G79 VanDerWaalsContact O-N 3.14Å
77F77.5Confident67.4Low141 Ų141104 Ų10462%0.61860%0.597SS**Hα-helixtrans-61.9-39.2176.7-164-102000112.2D73 L74 L75 G79D73-F77 WeakPolarHBondContact O-CB 3.24Å; D73-F77 PolarHBondContact O-N 2.87Å; L74-F77 WeakPolarHBondContact O-CB 3.42Å; L74-F77 PolarHBondContact O-N 3.15Å; L75-F77 PolarHBondContact O-N 2.69Å; F77-G79 VanDerWaalsContact C-N 3.31Å; F77-G79 PolarHBondContact O-N 2.8Å
78Y78.3Confident64.9Low137 Ų137104.5 Ų104.554%0.53760%0.595SS.*THydrogen-bonded Turntrans-89.818.6175.6-68.5-69.9000113.9E66 L74 L75 A76 Y80E66-Y78 VanDerWaalsContact CD-OH 3.27Å; E66-Y78 PolarHBondContact OE1-OH 3.38Å; E66-Y78 PolarHBondContact OE2-OH 3.35Å; L74-Y78 HydrophobicContact CD2-CE2 4.4Å; L74-Y78 VanDerWaalsContact O-CD2 3.3Å; L74-Y78 WeakPolarHBondContact O-CD2 3.14Å; L74-Y78 PolarHBondContact O-N 3.47Å; L75-Y78 CarbonylContact O-C 3.27Å; L75-Y78 PolarHBondContact O-N 3.47Å; A76-Y78 VanDerWaalsContact C-N 3.32Å; A76-Y78 PolarHBondContact O-N 2.89Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.31Å; Y78-Y80 PolarHBondContact O-N 3.08Å
79G71.1Confident62.3Low65 Ų65107.1 Ų107.167%0.6761%0.605SS**THydrogen-bonded Turntrans81.65.8169.400000116.8L75 A76 F77 E81L75-G79 PolarHBondContact O-N 2.72Å; L75-G79 VanDerWaalsContact O-N 3.12Å; A76-G79 PolarHBondContact O-N 3.02Å; A76-G79 VanDerWaalsContact O-N 3.14Å; F77-G79 VanDerWaalsContact C-N 3.31Å; F77-G79 PolarHBondContact O-N 2.8Å; G79-E81 PolarHBondContact O-N 3.31Å
80Y65.8Low59.7Low167 Ų167109.6 Ų109.666%0.65563%0.627SS**  trans-90.878.3175.3-73.8-92.1000111.2L75 Y78 P82L75-Y80 CarbonylContact C-O 3.55Å; L75-Y80 HydrophobicContact CD2-CD2 4.44Å; L75-Y80 HydrophobicContact CD2-CG 4.14Å; L75-Y80 WeakPolarHBondContact O-CA 3.43Å; L75-Y80 WeakPolarHBondContact O-CB 3.39Å; L75-Y80 PolarHBondContact O-N 3.16Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.31Å; Y78-Y80 PolarHBondContact O-N 3.08Å; Y80-P82 WeakPolarHBondContact O-CD 3.48Å
81E64.2Low57.1Low170 Ų170111 Ų11179%0.79464%0.638SS**  trans-69.2124.2175.6-168.1173.5-159.500111.6G79 T83G79-E81 PolarHBondContact O-N 3.31Å; E81-T83 PolarHBondContact O-N 3.39Å
82P49.6Very low54.9Low65 Ų65109.2 Ų109.242%0.42264%0.642SS.*  trans-64.9117.9-175.8-24.735000113.6E72 Y80 I84E72-P82 HydrophobicContact CG-CG 4.26Å; Y80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-I84 PolarHBondContact O-N 2.62Å
83T43.9Very low52.3Low142 Ų142110.5 Ų110.587%0.87165%0.652SS**  trans-77.883.3-178.4-240000111.7E81 P85E81-T83 PolarHBondContact O-N 3.39Å; T83-P85 WeakPolarHBondContact O-CD 3.36Å
84I42.7Very low49.9Very low144 Ų144111.7 Ų111.774%0.73867%0.667SS**  trans-61.9121.4-177.6-61.1170.7000111.1P82 A86P82-I84 PolarHBondContact O-N 2.62Å; I84-A86 PolarHBondContact O-N 2.94Å
85P41.9Very low47.4Very low119 Ų119115.4 Ų115.477%0.77370%0.697SS**  trans-80.781.6-175.232.2-35.8000112.8T83 V87T83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-V87 PolarHBondContact O-N 2.96Å
86A28.8Very low45.8Very low96 Ų96118.2 Ų118.279%0.79372%0.719SS**  trans-83.684.2178.100000113.1I84I84-A86 PolarHBondContact O-N 2.94Å
87V30.9Very low43.2Very low143 Ų143119.9 Ų119.987%0.86773%0.727SS**  trans-114.590.3172.5-169.60000111.5P85P85-V87 PolarHBondContact O-N 2.96Å
88A28.4Very low41.1Very low81 Ų81121 Ų12167%0.66973%0.734SS**  trans-150.377.6172.600000113.2
89N27.1Very low39Very low164 Ų164122 Ų12288%0.87775%0.748SS**  trans73.7146.7168-42.3-53.5000115.6
90S29Very low37.3Very low103 Ų103123.7 Ų123.772%0.7276%0.756SS**  cis-148.6146.416.853.30000115.1
91S29.4Very low35.9Very low105 Ų105122.9 Ų122.973%0.73476%0.763SS**  trans37.8116.2149.263.90000121.8
92A33.4Very low34.5Very low84 Ų84123.5 Ų123.569%0.69477%0.766SS**  51118.5124.500000118.5
93N29.5Very low34.2Very low148 Ų148128.5 Ų128.579%0.79179%0.788SS**  -165.6169.254.2-93.9-43.1000113.2
94S31.3Very low34.2Very low114 Ų114127.6 Ų127.680%0.79778%0.784SS**  trans57.1109.9152.551.50000120.2
95S30Very low33.8Very low116 Ų116126.9 Ų126.981%0.81178%0.782SS**  trans-67177.7146.6-27.40000111.3
96P47Very low33.4Very low123 Ų123128.7 Ų128.780%0.79978%0.782SS**  cis-135.4-162.9-0.743.2-25.4000114.3
97S28.1Very low34Very low91 Ų91128.8 Ų128.864%0.63677%0.773SS**  trans94.6144.2159.8-156.70000118.2
98E32.4Very low34.7Very low163 Ų163129.1 Ų129.176%0.76277%0.769SS**  trans60144.4167.3-72.1145.8120.200117
99L34.1Very low35.5Very low159 Ų159132.4 Ų132.483%0.83278%0.775SS**  cis-130.9139.715.3-66.5158.5000111.2
100A35Very low36.6Very low101 Ų101134.4 Ų134.484%0.83578%0.777SS**  trans-157.435.7169.700000113.7
101D36.9Very low37.8Very low150 Ų150137.1 Ų137.180%0.80278%0.778SS**  trans-92.6152160.2-57.1-59.1000108.1
102E35.7Very low38.8Very low182 Ų182140.5 Ų140.585%0.8578%0.782SS**  cis-129.4135.913-57.2170.6122.400111.7
103L42.2Very low39.6Very low170 Ų170143.7 Ų143.789%0.8979%0.786SS**  trans-142.5133.3148.4-77.7-178.6000107.9
104P43.8Very low40.2Very low123 Ų123141 Ų14180%0.79978%0.784SS**  trans-75.3129.4-172.829-34.1000112.4
105D35.6Very low41Very low130 Ų130143.1 Ų143.170%0.69578%0.779SS**  trans-74.7143.4171.6-169.75.1000111.2T107D105-T107 PolarHBondContact OD1-N 2.88Å
106M32.9Very low41.7Very low156 Ų156144.7 Ų144.777%0.76878%0.778SS**  trans-138.565.2171.8-79-147.570.800110.6L108M106-L108 PolarHBondContact O-N 3.32Å
107T42.6Very low41.7Very low99 Ų99146.2 Ų146.261%0.60778%0.779SS**  trans-53.7121.4161.553.10000110.8D105D105-T107 PolarHBondContact OD1-N 2.88Å
108L44Very low42.4Very low150 Ų150149.8 Ų149.879%0.78579%0.79SS**  trans-118.4114.7162.4-68.5178.7000108.4M106 K110M106-L108 PolarHBondContact O-N 3.32Å; L108-K110 PolarHBondContact O-N 2.78Å
109D45.1Very low42.6Very low149 Ų149147.4 Ų147.480%0.79779%0.791SS**  trans-67126.5-171.6-66.7-62.5000112.4E111D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.18Å; D109-E111 VanDerWaalsContact O-N 3.15Å
110K51.8Low42.7Very low207 Ų207143.5 Ų143.590%0.979%0.79SS**THydrogen-bonded Turntrans-85.417.9-166-159.3169.7176.7174.40114.6L108L108-K110 PolarHBondContact O-N 2.78Å
111E53.8Low42.8Very low159 Ų159146.3 Ų146.374%0.74379%0.79SS**THydrogen-bonded Turntrans-124.70.3-158.9-62.3-171.1166.500116.3D109 K115D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.18Å; D109-E111 VanDerWaalsContact O-N 3.15Å; E111-K115 PolarHBondContact O-NZ 3.27Å
112E49.3Very low43Very low177 Ų177146.6 Ų146.683%0.82779%0.792SS**SBendtrans-99.8-30.8-178-159.5158-131.100114.5A114E112-A114 PolarHBondContact O-N 3.47Å
113I50.3Low43.5Very low151 Ų151146 Ų14677%0.77479%0.789SS**G310 helixtrans-68.6-30.9-174.3-60.3175.4000113.3K115I113-K115 PolarHBondContact O-N 3.44Å
114A42.1Very low43.5Very low91 Ų91146 Ų14675%0.75278%0.784SS**G310 helixtrans-77.623.8-167.800000115.8E112E112-A114 PolarHBondContact O-N 3.47Å
115K48Very low43.3Very low158 Ų158147.1 Ų147.169%0.68779%0.789SS**G310 helixtrans-129.9-17.8-174.5-69.8172.9-171.8124.10115.5E111 I113E111-K115 PolarHBondContact O-NZ 3.27Å; I113-K115 PolarHBondContact O-N 3.44Å
116D44.4Very low43.4Very low150 Ų150150 Ų15080%0.80280%0.799SS**THydrogen-bonded Turntrans-93.5-0.2-174.3-106.526000114.7
117L46.8Very low43.5Very low155 Ų155148.6 Ų148.681%0.81280%0.804SS**THydrogen-bonded Turntrans-110.611.5-177.1-61.9-179.8000114.6
118L43.3Very low43.5Very low165 Ų165149.2 Ų149.286%0.86481%0.812SS**SBendtrans-125.558-179.9-69.9178.4000112.8
119S37.9Very low43.2Very low114 Ų114146.4 Ų146.480%0.79781%0.811SS**  trans-152.9110.7163.461.20000111.2
120G34.6Very low43Very low77 Ų77145.8 Ų145.879%0.79481%0.808SS**  trans173.498.4176.700000114.8
121D37.8Very low42.4Very low159 Ų159143.8 Ų143.885%0.8581%0.807SS**  trans37.3107.9160.3-79.211000120.7
122D40.2Very low41.6Very low156 Ų156142.6 Ų142.683%0.83481%0.805SS**  trans-85.3113.9152.349.9-53000111.7
123E46.9Very low41.2Very low171 Ų171141 Ų14180%0.79981%0.808SS**  trans-140.9153.2168.6-96.2-61.9177.400113.2
124E42.8Very low41Very low168 Ų168139.2 Ų139.279%0.78581%0.805SS**  trans-85.1148.2-164.5-57.7-171.9125.700114.6
125T39.2Very low40.7Very low147 Ų147140 Ų14090%0.90281%0.805SS**  trans-156.3114.5138.8-70000112.9
126Q37.9Very low40Very low191 Ų191138.5 Ų138.589%0.89381%0.81SS**  trans-84.5142.3165.5-65.1-165.7-14.200111
127S34.4Very low39.6Very low126 Ų126138 Ų13888%0.88181%0.812SS**  trans-150.6160.7155.9-159.40000110.7
128S43Very low39.1Very low112 Ų112136.1 Ų136.178%0.78381%0.812SS**  trans-141.4-175.7-16361.30000113
129A38Very low38.7Very low91 Ų91137.1 Ų137.175%0.75281%0.812SS**  trans79.1115.7-164.200000112.3
130D40.6Very low38.6Very low136 Ų136140 Ų14073%0.72781%0.813SS**  cis62.997.818.4-163.235.5000114.5
131D38.8Very low39Very low165 Ų165143 Ų14388%0.88282%0.815SS**  trans-146.4133.8153.7-158.3-2.2000108.8
132L37.6Very low39Very low134 Ų134140.3 Ų140.370%0.70281%0.809SS**  trans-112138.9-164-68.6170.8000112.2
133T40.8Very low39.1Very low145 Ų145140.4 Ų140.489%0.8981%0.81SS**  trans-130.7116.2156.151.30000110.9
134P46.9Very low38.6Very low112 Ų112140.7 Ų140.773%0.72781%0.809SS**  trans-98144178.535.2-31.8000112
135S35.6Very low38.5Very low107 Ų107141.5 Ų141.575%0.74881%0.81SS**  172.7112.1117.1-76.90000115.5
136V32.2Very low38.7Very low128 Ų128140.5 Ų140.578%0.77681%0.806SS**  45.4141.7129-146.70000121.7
137T35.8Very low38.9Very low140 Ų140142.3 Ų142.386%0.85981%0.805SS**  trans78.9134.7171.774.60000115.1
138S36.4Very low39.2Very low115 Ų115142.4 Ų142.480%0.80480%0.802SS**  cis-127.5138.35.853.70000112.8
139H35.1Very low39.1Very low185 Ų185144.1 Ų144.186%0.85680%0.802SS**  trans-82.7168162.5-110.5-99.9000110.8
140E36.6Very low39Very low175 Ų175151.1 Ų151.182%0.81881%0.809SS**  trans68.785.3151-157.8174132.400117.6
141T42.1Very low38.8Very low139 Ų139149.7 Ų149.785%0.85381%0.81SS**  -176.4102.511348.50000110.3
142S38.2Very low38.6Very low104 Ų104149.2 Ų149.273%0.72781%0.807SS**  trans-144.9-18.3169.852.70000115F144S142-F144 PolarHBondContact O-N 3.27Å
143D41.4Very low38.5Very low157 Ų157148.3 Ų148.384%0.8481%0.807SS**THydrogen-bonded Turntrans-8356.7-174.5-56.5-44.2000113
144F38Very low38.4Very low177 Ų177148.2 Ų148.278%0.77681%0.807SS**THydrogen-bonded Turntrans-121-3.9179-121.6-89.1000115.4S142S142-F144 PolarHBondContact O-N 3.27Å
145F40.1Very low37.8Very low185 Ų185148.5 Ų148.581%0.81181%0.81SS**  trans-142.790175.7-67.1-72.9000112.5R147F145-R147 PolarHBondContact O-N 2.96Å
146P43.5Very low37.9Very low126 Ų126151.5 Ų151.582%0.81882%0.817SS**PPolyproline II helixtrans-61.9124.416327-33000109.2
147R42.8Very low38Very low230 Ų230148.3 Ų148.387%0.86881%0.81SS**PPolyproline II helixtrans-69137.3-174.7-54.9-175.5-155.7-1788.4110.6F145F145-R147 PolarHBondContact O-N 2.96Å
148P38.8Very low38.1Very low128 Ų128149 Ų14983%0.83181%0.809SS**PPolyproline II helixtrans-54.8144.9171.3-28.136.4000113.1
149L41.5Very low38.5Very low148 Ų148153 Ų15378%0.77581%0.812SS**PPolyproline II helixtrans-62.3134.7-170.3-63.5162.4000112.7
150R36.5Very low38.9Very low237 Ų237153.3 Ų153.389%0.89481%0.814SS**PPolyproline II helixtrans-93.8134.5145.3-83.4-172.3169.8-178.2-3.6108.6
151S36.3Very low39Very low107 Ų107149.7 Ų149.775%0.74881%0.808SS**PPolyproline II helixtrans-82.4118.9174.348.70000110T153S151-T153 PolarHBondContact O-N 3.17Å
152N35.2Very low39.1Very low155 Ų155152.9 Ų152.983%0.82981%0.813SS**  trans-77.499.3174.6-64.45.2000109.3
153T35.3Very low39.3Very low115 Ų115154.2 Ų154.271%0.70682%0.817SS**  trans-79.8115.4159.948.80000108.2S151 C155S151-T153 PolarHBondContact O-N 3.17Å; T153-C155 PolarHBondContact O-N 2.81Å
154T38.6Very low39.2Very low143 Ų143155.3 Ų155.388%0.87782%0.817SS**  trans-72.694.6174.145.90000110
155C34.2Very low39.2Very low117 Ų117153.9 Ų153.979%0.79182%0.817SS**  trans-93.6113.6156.3-59.20000106.8T153T153-C155 PolarHBondContact O-N 2.81Å
156D37Very low39.5Very low170 Ų170150.3 Ų150.391%0.90981%0.81SS**  trans-76.7161.3175.4-162.63.7000110.7
157G34Very low39.8Very low61 Ų61152.1 Ų152.163%0.62981%0.808SS**  trans125.7101.9176.200000115.3
158D39.1Very low39.9Very low154 Ų154146 Ų14682%0.82480%0.796SS**  trans4590.6155.4-63-8.9000119.2
159K43.8Very low40.4Very low199 Ų199147.2 Ų147.287%0.86580%0.795SS**  -138.7112.8120.5-71.2-162.4178.81650112.1S161K159-S161 PolarHBondContact O-N 3.29Å
160E42.9Very low40.5Very low192 Ų192144.1 Ų144.190%0.89779%0.786SS**  trans-59.7127.7159.564.8-140.7126.100110.8
161S39.3Very low40.9Very low99 Ų99136.1 Ų136.169%0.69278%0.778SS**  trans-154104.3160.9640000109.1K159 V163K159-S161 PolarHBondContact O-N 3.29Å; S161-V163 PolarHBondContact O-N 2.99Å
162E43.9Very low41.3Very low207 Ų207138.2 Ų138.297%0.96778%0.781SS**  trans-60.5125.1176-61.8164119.100110.2
163V43.2Very low41.9Very low132 Ų132133.3 Ų133.380%0.876%0.759SS**  trans-146.4122.1165.149.10000106S161S161-V163 PolarHBondContact O-N 2.99Å
164E38.3Very low42.8Very low180 Ų180131.8 Ų131.884%0.84175%0.751SS**  trans-67.6145.6-169-70.7-169.4152.300113.1V166E164-V166 PolarHBondContact O-N 3.07Å; E164-V166 VanDerWaalsContact O-N 3.13Å
165D38.8Very low43.6Very low146 Ų146129.8 Ų129.878%0.78173%0.731SS**  trans-80.688.5-179.6-166.68.9000110.6E167D165-E167 PolarHBondContact O-N 3.47Å
166V45.8Very low44.8Very low111 Ų111130.5 Ų130.567%0.67373%0.727SS**  trans-94.184.1171.4-177.60000109.1E164 T168E164-V166 PolarHBondContact O-N 3.07Å; E164-V166 VanDerWaalsContact O-N 3.13Å; V166-T168 PolarHBondContact O-N 3.07Å; V166-T168 PolarHBondContact O-OG1 3.21Å; V166-T168 VanDerWaalsContact O-OG1 3.09Å
167E49.7Very low45.8Very low163 Ų163130 Ų13076%0.76272%0.724SS**  trans-40.2106169.8-88.1-80.6-147.200111.6D165D165-E167 PolarHBondContact O-N 3.47Å
168T44.8Very low47.3Very low101 Ų101133.3 Ų133.362%0.6272%0.717SS**  trans-123.997.3175.3-57.90000107.8V166 S170V166-T168 PolarHBondContact O-N 3.07Å; V166-T168 PolarHBondContact O-OG1 3.21Å; V166-T168 VanDerWaalsContact O-OG1 3.09Å; T168-S170 VanDerWaalsContact C-N 3.29Å; T168-S170 PolarHBondContact O-N 3.15Å
169D49.9Very low49.3Very low154 Ų154134.7 Ų134.782%0.82472%0.716SS**  trans-56.788.1176.817821.3000111.3
170S43.3Very low51.3Low83 Ų83129.9 Ų129.958%0.5870%0.696SS**  trans-109.892.9166.9-67.20000106.5T168 N172T168-S170 VanDerWaalsContact C-N 3.29Å; T168-S170 PolarHBondContact O-N 3.15Å; S170-N172 VanDerWaalsContact C-N 3.33Å; S170-N172 PolarHBondContact O-N 2.57Å
171G45.8Very low53.6Low70 Ų70127.8 Ų127.872%0.72269%0.69SS**  trans-57.285.2-170.900000114.5S173G171-S173 PolarHBondContact O-N 2.75Å
172N44.1Very low56.2Low151 Ų151127.7 Ų127.781%0.80768%0.68SS**  trans-61.7106.9166-72.8-57.7000108.1S170S170-N172 VanDerWaalsContact C-N 3.33Å; S170-N172 PolarHBondContact O-N 2.57Å
173S47.8Very low58.5Low52 Ų52123.7 Ų123.736%0.36466%0.664SS.*  trans-57.6133.5178.7-1760000109.9G171 E175 D176G171-S173 PolarHBondContact O-N 2.75Å; S173-E175 PolarHBondContact O-N 2.89Å; S173-D176 PolarHBondContact O-N 3.27Å
174P54.9Low60.8Low83 Ų83118.4 Ų118.454%0.53964%0.636SS.*THydrogen-bonded Turntrans-65.3-4.517928.3-35.4000113.4R178P174-R178 PolarHBondContact O-NH2 3.3Å
175E55.8Low63.4Low101 Ų101118 Ų11847%0.47264%0.638SS.*THydrogen-bonded Turntrans-73-34.1167.1-87.347-112.900113.8S173 L177 R178S173-E175 PolarHBondContact O-N 2.89Å; E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.12Å; E175-R178 WeakPolarHBondContact O-CA 3.48Å; E175-R178 WeakPolarHBondContact O-CB 3.28Å; E175-R178 WeakPolarHBondContact O-CG 3.42Å; E175-R178 PolarHBondContact O-N 2.74Å; E175-R178 IonicContact OE1-CZ 3.4Å; E175-R178 IonicContact OE1-NE 3.5Å; E175-R178 PolarHBondContact OE1-NE 2.74Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.17Å
176D58.2Low66Low131 Ų131117.6 Ų117.670%0.70163%0.632SS**THydrogen-bonded Turntrans-75-17.7-172.9-75.4-41.7000114S173 R178S173-D176 PolarHBondContact O-N 3.27Å; D176-R178 PolarHBondContact O-N 3.41Å
177L58.6Low68.3Low161 Ų161118 Ų11884%0.84362%0.622SS**THydrogen-bonded Turntrans-74.8-12.2166.7-66.4176.7000112.4E175 K179E175-L177 VanDerWaalsContact C-N 3.3Å; E175-L177 PolarHBondContact O-N 3.12Å; L177-K179 PolarHBondContact O-N 3.33Å
178R66.4Low70.5Confident130 Ų130114.6 Ų114.649%0.49161%0.606SS.*  trans-83.291.3175.4-49.5-174.3-159.5-53.6-6.6109.8P174 E175 D176 E180P174-R178 PolarHBondContact O-NH2 3.3Å; E175-R178 WeakPolarHBondContact O-CA 3.48Å; E175-R178 WeakPolarHBondContact O-CB 3.28Å; E175-R178 WeakPolarHBondContact O-CG 3.42Å; E175-R178 PolarHBondContact O-N 2.74Å; E175-R178 IonicContact OE1-CZ 3.4Å; E175-R178 IonicContact OE1-NE 3.5Å; E175-R178 PolarHBondContact OE1-NE 2.74Å; E175-R178 IonicContact OE1-NH2 2.69Å; E175-R178 PolarHBondContact OE1-NH2 3.17Å; D176-R178 PolarHBondContact O-N 3.41Å; R178-E180 PolarHBondContact O-N 3.05Å
179K79.5Confident72.9Confident182 Ų182114 Ų11479%0.79161%0.612SS**  trans-68.966.8163.3-65.7174.2-178.3171.90110.1L177L177-K179 PolarHBondContact O-N 3.33Å
180E85.6Confident75Confident98 Ų98115.4 Ų115.446%0.45861%0.614SS.*PPolyproline II helixtrans-77.3137.7-179.4-166.4158.8-178.500109.9R178 M182 R486R178-E180 PolarHBondContact O-N 3.05Å; E180-M182 PolarHBondContact O-N 2.93Å; E180-R486 IonicContact OE1-CZ 3.56Å; E180-R486 IonicContact OE1-NE 3.12Å; E180-R486 PolarHBondContact OE1-NE 3.01Å; E180-R486 VanDerWaalsContact OE1-NE 3.12Å; E180-R486 IonicContact OE1-NH2 3.1Å; E180-R486 PolarHBondContact OE1-NH2 2.95Å; E180-R486 VanDerWaalsContact OE1-NH2 3.1Å; E180-R486 IonicContact OE2-CZ 3.97Å; E180-R486 IonicContact OE2-NH2 2.89Å; E180-R486 PolarHBondContact OE2-NH2 3.37Å
181I91.6Very high77.3Confident148 Ų148118.7 Ų118.776%0.75962%0.623SS**PPolyproline II helixtrans-77.9120.7-179.5-62.3174.5000108.6
182M93.2Very high79.4Confident98 Ų98120.3 Ų120.348%0.48362%0.621SS.*PPolyproline II helixtrans-80135.2-175-57.5-56.6-72.900112.3E180 Y187 Q188E180-M182 PolarHBondContact O-N 2.93Å; M182-Y187 HydrophobicContact CB-CD1 3.6Å; M182-Y187 HydrophobicContact CB-CD2 3.55Å; M182-Y187 HydrophobicContact CB-CE1 3.74Å; M182-Y187 HydrophobicContact CB-CE2 3.68Å; M182-Y187 HydrophobicContact CB-CG 3.5Å; M182-Y187 HydrophobicContact CE-CE2 3.94Å; M182-Y187 WeakPolarHBondContact CE-OH 3.37Å; M182-Y187 HydrophobicContact CG-CD1 4.32Å; M182-Y187 HydrophobicContact CG-CE1 4.05Å; M182-Y187 HydrophobicContact CG-CE2 4.43Å; M182-Q188 PolarHBondContact O-NE2 3.37Å; M182-Q188 VanDerWaalsContact O-NE2 3.07Å
183I93Very high81.4Confident122 Ų122118.1 Ų118.163%0.62662%0.615SS**  trans-124.9126.5-177.1-59.7174.2000109.5
184G92.6Very high83.1Confident21 Ų21125.3 Ų125.322%0.21664%0.635CS.*SBendtrans155.6160.3-174.600000111.4Q186 Y187 Q188G184-Q186 VanDerWaalsContact C-OE1 3.26Å; G184-Q186 PolarHBondContact O-N 2.98Å; G184-Q186 VanDerWaalsContact O-N 3.11Å; G184-Y187 PolarHBondContact O-N 3.13Å; G184-Q188 PolarHBondContact O-N 3.06Å; G184-Q188 PolarHBondContact O-OE1 3.18Å
185L92.2Very high84.2Confident171 Ų171127.7 Ų127.790%0.89564%0.643SS**THydrogen-bonded Turntrans-63.6-15.7-179.5-63.7174.2000113.6Y187L185-Y187 VanDerWaalsContact C-N 3.33Å
186Q93.1Very high85.3Confident139 Ų139124.4 Ų124.465%0.6564%0.636SS**THydrogen-bonded Turntrans-860.1172.375-80.528.900113.9G184G184-Q186 VanDerWaalsContact C-OE1 3.26Å; G184-Q186 PolarHBondContact O-N 2.98Å; G184-Q186 VanDerWaalsContact O-N 3.11Å
187Y94.2Very high86.2Confident120 Ų120127 Ų12747%0.47164%0.644SS.*THydrogen-bonded Turntrans-129.4-33.7-178.4-56.4-65.6000113.3M182 G184 L185M182-Y187 HydrophobicContact CB-CD1 3.6Å; M182-Y187 HydrophobicContact CB-CD2 3.55Å; M182-Y187 HydrophobicContact CB-CE1 3.74Å; M182-Y187 HydrophobicContact CB-CE2 3.68Å; M182-Y187 HydrophobicContact CB-CG 3.5Å; M182-Y187 HydrophobicContact CE-CE2 3.94Å; M182-Y187 WeakPolarHBondContact CE-OH 3.37Å; M182-Y187 HydrophobicContact CG-CD1 4.32Å; M182-Y187 HydrophobicContact CG-CE1 4.05Å; M182-Y187 HydrophobicContact CG-CE2 4.43Å; G184-Y187 PolarHBondContact O-N 3.13Å; L185-Y187 VanDerWaalsContact C-N 3.33Å
188Q96.3Very high86.6Confident90 Ų90126 Ų12642%0.42163%0.63SS.*SBendtrans-85137.6170.8-81.369.978.500110.2M182 G184M182-Q188 PolarHBondContact O-NE2 3.37Å; M182-Q188 VanDerWaalsContact O-NE2 3.07Å; G184-Q188 PolarHBondContact O-N 3.06Å; G184-Q188 PolarHBondContact O-OE1 3.18Å
189A95.8Very high86.7Confident90 Ų90122.5 Ų122.574%0.74463%0.629SS**PPolyproline II helixtrans-68.4148.1166.700000110.6
190E94Very high85.9Confident183 Ų183118.3 Ų118.386%0.85564%0.637SS**PPolyproline II helixtrans-65.7131.6166.9-174.6169.3-170.900109.3P192E190-P192 WeakPolarHBondContact O-CD 3.48Å
191I91.4Very high84.7Confident152 Ų152119.9 Ų119.978%0.77965%0.649SS**PPolyproline II helixtrans-79.5118.9178.9-60.1173.8000107.5
192P89.4Confident83.2Confident104 Ų104118.2 Ų118.268%0.67564%0.638SS**PPolyproline II helixtrans-58.6140.2179-24.735.2000111.4E190E190-P192 WeakPolarHBondContact O-CD 3.48Å
193P85.3Confident81.6Confident104 Ų104119.7 Ų119.768%0.67564%0.642SS**PPolyproline II helixtrans-62.9144.3175.727.7-34.7000110.3L195P193-L195 PolarHBondContact O-N 3.4Å; P193-L195 VanDerWaalsContact O-N 3.16Å
194Y83.9Confident80.1Confident204 Ų204117.3 Ų117.380%0.863%0.633SS**  trans-67.7113175.5176.2-107.5000110.4
195L79.1Confident78.7Confident133 Ų133123.1 Ų123.170%0.69665%0.649SS**  trans-83.1-5.5-175.1-65.4175.6000114.3P193P193-L195 PolarHBondContact O-N 3.4Å; P193-L195 VanDerWaalsContact O-N 3.16Å
196G77.8Confident77.5Confident32 Ų32121.1 Ų121.133%0.3364%0.635SS.*  trans85.8-157.9-176.900000113.5
197E76.4Confident76.4Confident186 Ų186121.3 Ų121.387%0.86964%0.641SS**SBendtrans-71.6131.9160.4-67-177.4161.100108.5A199E197-A199 PolarHBondContact O-N 3.34Å
198Y68.2Low75.5Confident138 Ų138123 Ų12354%0.54165%0.653SS.*PPolyproline II helixtrans-54.4129.9172.4-68.7-81.2000109.8G200 V204Y198-G200 PolarHBondContact O-N 3.21Å; Y198-V204 HydrophobicContact CD1-CG2 4.45Å; Y198-V204 HydrophobicContact CE1-CG2 4.02Å
199A67.3Low74.9Confident57 Ų57124.8 Ų124.847%0.47167%0.665SS.*PPolyproline II helixtrans-56130.9165.800000107.8E197 N201 E202E197-A199 PolarHBondContact O-N 3.34Å; A199-N201 WeakPolarHBondContact CB-OD1 3.18Å; A199-N201 PolarHBondContact O-N 3.38Å; A199-E202 PolarHBondContact O-N 2.92Å
200G63.2Low74.4Confident94 Ų94127 Ų12797%0.96966%0.66SS**THydrogen-bonded Turntrans-64.613.9-166.300000117Y198Y198-G200 PolarHBondContact O-N 3.21Å
201N59.8Low74.1Confident131 Ų131124.2 Ų124.270%0.70165%0.65SS**THydrogen-bonded Turntrans-128.9-3.6177.359.3-28.4000113.4A199 K203A199-N201 WeakPolarHBondContact CB-OD1 3.18Å; A199-N201 PolarHBondContact O-N 3.38Å; N201-K203 PolarHBondContact O-N 3.31Å; N201-K203 VanDerWaalsContact O-N 3.16Å
202E60.8Low73.9Confident113 Ų113121.6 Ų121.653%0.52864%0.637SS.*  trans-84.684.2178.2-171.2168.5-147.500111.2A199 V204A199-E202 PolarHBondContact O-N 2.92Å; E202-V204 HydrophobicContact CG-CG2 4.04Å; E202-V204 PolarHBondContact O-N 2.92Å; E202-V204 VanDerWaalsContact O-N 3.15Å
203K60.5Low73.8Confident129 Ų129121.3 Ų121.356%0.56162%0.623SS**  trans-89.273.1-177.5-62.4-176.3179179.60112.1N201 Y205 E206N201-K203 PolarHBondContact O-N 3.31Å; N201-K203 VanDerWaalsContact O-N 3.16Å; K203-Y205 PolarHBondContact O-N 3.26Å; K203-Y205 VanDerWaalsContact O-N 3.08Å; K203-E206 HydrophobicContact CB-CB 4.17Å; K203-E206 HydrophobicContact CB-CG 4.35Å; K203-E206 HydrophobicContact CD-CG 4.13Å; K203-E206 VanDerWaalsContact CD-OE1 3.27Å; K203-E206 WeakPolarHBondContact CD-OE1 3.45Å; K203-E206 WeakPolarHBondContact CD-OE2 3.3Å; K203-E206 IonicContact NZ-OE1 2.72Å; K203-E206 PolarHBondContact NZ-OE1 3.12Å; K203-E206 IonicContact NZ-OE2 3.13Å; K203-E206 PolarHBondContact NZ-OE2 2.96Å; K203-E206 PolarHBondContact O-N 2.85Å
204V61.5Low73.9Confident72 Ų72118 Ų11844%0.43660%0.602SS.*THydrogen-bonded Turntrans-49.3-37.1-175.1-178.10000113.8Y198 E202Y198-V204 HydrophobicContact CD1-CG2 4.45Å; Y198-V204 HydrophobicContact CE1-CG2 4.02Å; E202-V204 HydrophobicContact CG-CG2 4.04Å; E202-V204 PolarHBondContact O-N 2.92Å; E202-V204 VanDerWaalsContact O-N 3.15Å
205Y63.5Low73.9Confident143 Ų143112.9 Ų112.956%0.56159%0.594SS**THydrogen-bonded Turntrans-99.81-169.3-57.7-78000115.4K203 N207 E208K203-Y205 PolarHBondContact O-N 3.26Å; K203-Y205 VanDerWaalsContact O-N 3.08Å; Y205-N207 PolarHBondContact O-N 3.26Å; Y205-E208 PolarHBondContact O-N 3.36Å
206E65.9Low74.3Confident129 Ų129114.1 Ų114.160%0.60360%0.601SS**THydrogen-bonded Turntrans-67.2-6.5-171.8-119.4-175.1-172.300115.5K203K203-E206 HydrophobicContact CB-CB 4.17Å; K203-E206 HydrophobicContact CB-CG 4.35Å; K203-E206 HydrophobicContact CD-CG 4.13Å; K203-E206 VanDerWaalsContact CD-OE1 3.27Å; K203-E206 WeakPolarHBondContact CD-OE1 3.45Å; K203-E206 WeakPolarHBondContact CD-OE2 3.3Å; K203-E206 IonicContact NZ-OE1 2.72Å; K203-E206 PolarHBondContact NZ-OE1 3.12Å; K203-E206 IonicContact NZ-OE2 3.13Å; K203-E206 PolarHBondContact NZ-OE2 2.96Å; K203-E206 PolarHBondContact O-N 2.85Å
207N69.9Low74.7Confident143 Ų143116.5 Ų116.577%0.76561%0.609SS**THydrogen-bonded Turntrans-110.4-14.3-178.5-54.7-79000114Y205Y205-N207 PolarHBondContact O-N 3.26Å
208E74.4Confident75.1Confident157 Ų157108.1 Ų108.173%0.73457%0.571SS**THydrogen-bonded Turntrans-103.8-38.7-172.8-50.3-59.4134.600112.1Y205Y205-E208 PolarHBondContact O-N 3.36Å
209D85.4Confident76.2Confident127 Ų127107.1 Ų107.168%0.67957%0.574SS**  trans-101.9132.8-172.6-71.4-45.6000113.2
210Q85.3Confident77.1Confident137 Ų137110.1 Ų110.164%0.6458%0.578SS**  trans-103125.3169.4-169.617720.600111.4L212Q210-L212 HydrophobicContact CG-CD2 4.08Å; Q210-L212 PolarHBondContact O-N 2.97Å; Q210-L212 VanDerWaalsContact O-N 3.12Å
211L86.1Confident78.4Confident123 Ų123109.4 Ų109.464%0.64456%0.559SS**  trans-72.7101.5175.5-178.260.2000111.3
212L88.3Confident79.8Confident97 Ų97108.2 Ų108.251%0.50855%0.547SS..  trans-94.6-18.3-176.9-65179.8000115.3Q210 Y257 L260Q210-L212 HydrophobicContact CG-CD2 4.08Å; Q210-L212 PolarHBondContact O-N 2.97Å; Q210-L212 VanDerWaalsContact O-N 3.12Å; L212-Y257 HydrophobicContact CD2-CD2 4.4Å; L212-Y257 HydrophobicContact CD2-CE2 4.18Å; L212-L260 HydrophobicContact CD2-CD2 4.04Å
213W87.6Confident81.2Confident99 Ų99103.6 Ų103.638%0.37553%0.526SS..  trans-155.1146.7-179.5-172.9-103.8000112.6V223 L256 L259W213-V223 HydrophobicContact CH2-CG1 4.01Å; W213-V223 HydrophobicContact CH2-CG2 3.81Å; W213-V223 HydrophobicContact CZ2-CG2 4.15Å; W213-L256 HydrophobicContact CZ3-CD2 4.25Å; W213-L259 HydrophobicContact CZ3-CD2 4.37Å
214C86.3Confident82.5Confident35 Ų35102.1 Ų102.124%0.23652%0.52CS..  trans-134.3116.5172.6-66.40000110D216 V217C214-D216 VanDerWaalsContact C-N 3.32Å; C214-D216 PolarHBondContact O-N 2.99Å; C214-V217 HydrophobicContact CB-CB 4.42Å; C214-V217 HydrophobicContact CB-CG2 3.55Å; C214-V217 PolarHBondContact O-N 3.42Å
215P85.1Confident83.9Confident95 Ų95104.9 Ų104.962%0.61753%0.528SS*.G310 helixtrans-56.4-39.3-177.3-27.535.9000114.7V217P215-V217 VanDerWaalsContact C-N 3.29Å; P215-V217 PolarHBondContact O-N 2.94Å
216D85.8Confident85.1Confident159 Ų15998.1 Ų98.185%0.8550%0.502SS*.G310 helixtrans-76.7-11.3-170.4-50.8-72.3000114.6C214C214-D216 VanDerWaalsContact C-N 3.32Å; C214-D216 PolarHBondContact O-N 2.99Å
217V86.8Confident86.2Confident82 Ų8292.9 Ų92.950%0.49748%0.478SS..G310 helixtrans-85.4-27.9-171-171.20000112.4C214 P215 H264C214-V217 HydrophobicContact CB-CB 4.42Å; C214-V217 HydrophobicContact CB-CG2 3.55Å; C214-V217 PolarHBondContact O-N 3.42Å; P215-V217 VanDerWaalsContact C-N 3.29Å; P215-V217 PolarHBondContact O-N 2.94Å; V217-H264 HydrophobicContact CG1-CB 3.92Å; V217-H264 WeakPolarHBondContact CG1-ND1 3.41Å
218V86.3Confident87.1Confident11 Ų1190.2 Ų90.27%0.06747%0.466CS..SBendtrans-138.7118.4177.4-168.80000111E220 K222 V223 H264V218-E220 PolarHBondContact O-N 3.03Å; V218-K222 HydrophobicContact CG1-CB 3.86Å; V218-V223 HydrophobicContact CB-CG2 3.91Å; V218-V223 HydrophobicContact CG1-CG2 3.58Å; V218-H264 HydrophobicContact CG2-CB 3.51Å
219L89.4Confident87.6Confident117 Ų11785.1 Ų85.161%0.61344%0.442SS*.  trans-55.2129.1171.2-176.369.8000110.8S221 K222 V223L219-S221 PolarHBondContact O-N 2.98Å; L219-K222 WeakPolarHBondContact O-CB 3.37Å; L219-K222 PolarHBondContact O-N 2.6Å; L219-V223 PolarHBondContact O-N 3.01Å
220E88Confident87.7Confident119 Ų11979.1 Ų79.156%0.55641%0.41SS*.Hα-helixtrans-44.8-41.7-176.1-167.5-161146.200114.2V218 K222 V223 K224V218-E220 PolarHBondContact O-N 3.03Å; E220-K222 VanDerWaalsContact C-N 3.25Å; E220-K222 PolarHBondContact O-N 3.25Å; E220-V223 WeakPolarHBondContact O-CB 3.32Å; E220-V223 PolarHBondContact O-N 3.41Å; E220-K224 HydrophobicContact CG-CD 4.49Å; E220-K224 PolarHBondContact O-N 2.84Å; E220-K224 WeakPolarHBondContact OE1-CE 3.24Å; E220-K224 IonicContact OE1-NZ 2.57Å; E220-K224 PolarHBondContact OE1-NZ 3.41Å
221S88.9Confident87.5Confident80 Ų8076 Ų7656%0.55940%0.404SS*.Hα-helixtrans-57-37177.9-40.60000113L219 E225L219-S221 PolarHBondContact O-N 2.98Å; S221-E225 WeakPolarHBondContact O-CB 3.32Å; S221-E225 PolarHBondContact O-N 3.03Å
222K89.8Confident87.3Confident106 Ų10676 Ų7646%0.46140%0.404SS..Hα-helixtrans-76.4-29.1177-64.9-179.8178.6176.30112.3V218 L219 E220 Y226 I266V218-K222 HydrophobicContact CG1-CB 3.86Å; L219-K222 WeakPolarHBondContact O-CB 3.37Å; L219-K222 PolarHBondContact O-N 2.6Å; E220-K222 VanDerWaalsContact C-N 3.25Å; E220-K222 PolarHBondContact O-N 3.25Å; K222-Y226 VanDerWaalsContact O-CB 3.25Å; K222-Y226 WeakPolarHBondContact O-CB 3.4Å; K222-Y226 PolarHBondContact O-N 2.84Å; K222-I266 HydrophobicContact CB-CD1 3.85Å; K222-I266 HydrophobicContact CD-CD1 4.1Å; K222-I266 HydrophobicContact CG-CD1 4.4Å
223V89.8Confident86.5Confident15 Ų1578.8 Ų78.89%0.09141%0.408CS..Hα-helixtrans-68-43172.6-170.50000109.6W213 V218 L219 E220 Y226 L227 L256W213-V223 HydrophobicContact CH2-CG1 4.01Å; W213-V223 HydrophobicContact CH2-CG2 3.81Å; W213-V223 HydrophobicContact CZ2-CG2 4.15Å; V218-V223 HydrophobicContact CB-CG2 3.91Å; V218-V223 HydrophobicContact CG1-CG2 3.58Å; L219-V223 PolarHBondContact O-N 3.01Å; E220-V223 WeakPolarHBondContact O-CB 3.32Å; E220-V223 PolarHBondContact O-N 3.41Å; V223-Y226 WeakPolarHBondContact O-CB 3.36Å; V223-Y226 PolarHBondContact O-N 3.45Å; V223-L227 HydrophobicContact CG1-CD1 4.39Å; V223-L227 WeakPolarHBondContact O-CG 3.25Å; V223-L227 PolarHBondContact O-N 3.16Å; V223-L256 HydrophobicContact CG1-CD2 3.63Å
224K88.9Confident85.6Confident98 Ų9876.7 Ų76.743%0.42641%0.406SS..Hα-helixtrans-61.9-45.8173.1-74.1173.1167.7172.50112E220 Y226 L227 V228E220-K224 HydrophobicContact CG-CD 4.49Å; E220-K224 PolarHBondContact O-N 2.84Å; E220-K224 WeakPolarHBondContact OE1-CE 3.24Å; E220-K224 IonicContact OE1-NZ 2.57Å; E220-K224 PolarHBondContact OE1-NZ 3.41Å; K224-Y226 PolarHBondContact O-N 2.9Å; K224-L227 PolarHBondContact O-N 3.07Å; K224-V228 WeakPolarHBondContact O-CG2 3.41Å; K224-V228 PolarHBondContact O-N 2.82Å
225E89.6Confident84.2Confident130 Ų13076.9 Ų76.961%0.60741%0.414SS*.Hα-helixtrans-57.9-45.8173.2-173.1-177.8-173.900111.8S221 L227 V228 E229S221-E225 WeakPolarHBondContact O-CB 3.32Å; S221-E225 PolarHBondContact O-N 3.03Å; E225-L227 PolarHBondContact O-N 3.28Å; E225-V228 PolarHBondContact O-N 2.96Å; E225-E229 WeakPolarHBondContact O-CB 3.41Å; E225-E229 PolarHBondContact O-N 3.04Å
226Y89.7Confident82.3Confident1 Ų179 Ų790%0.00442%0.42CS..Hα-helixtrans-60.3-43176.3171.2-102000113.2K222 V223 K224 E229 T230 A255 L259 I266 A269 I270K222-Y226 VanDerWaalsContact O-CB 3.25Å; K222-Y226 WeakPolarHBondContact O-CB 3.4Å; K222-Y226 PolarHBondContact O-N 2.84Å; V223-Y226 WeakPolarHBondContact O-CB 3.36Å; V223-Y226 PolarHBondContact O-N 3.45Å; K224-Y226 PolarHBondContact O-N 2.9Å; Y226-E229 PolarHBondContact O-N 3.02Å; Y226-T230 HydrophobicContact CD2-CG2 3.96Å; Y226-T230 HydrophobicContact CE1-CG2 4.13Å; Y226-T230 HydrophobicContact CE2-CG2 3.45Å; Y226-T230 VanDerWaalsContact CE2-CG2 3.45Å; Y226-T230 HydrophobicContact CG-CG2 4.48Å; Y226-T230 WeakPolarHBondContact O-CB 3.35Å; Y226-T230 WeakPolarHBondContact O-CG2 3.46Å; Y226-T230 PolarHBondContact O-N 3.39Å; Y226-T230 PolarHBondContact O-OG1 3.43Å; Y226-A255 HydrophobicContact CE1-CB 3.88Å; Y226-A255 PolarHBondContact OH-O 3.49Å; Y226-L259 HydrophobicContact CD1-CD2 4.05Å; Y226-L259 HydrophobicContact CE1-CB 3.95Å; Y226-L259 HydrophobicContact CE1-CD2 4.26Å; Y226-L259 HydrophobicContact CE2-CD1 4.44Å; Y226-L259 HydrophobicContact CG-CD2 4.49Å; Y226-I266 HydrophobicContact CD2-CG2 3.99Å; Y226-A269 HydrophobicContact CE2-CB 3.55Å; Y226-I270 HydrophobicContact CD2-CD1 4.28Å; Y226-I270 HydrophobicContact CD2-CG1 3.71Å; Y226-I270 HydrophobicContact CE2-CG1 3.71Å
227L88.9Confident80.7Confident20 Ų2075.8 Ų75.811%0.10540%0.4CS..Hα-helixtrans-67.4-38.5178.2-72.4170.7000112.3V223 K224 E225 T230 S231 T249 N252 A255 L256V223-L227 HydrophobicContact CG1-CD1 4.39Å; V223-L227 WeakPolarHBondContact O-CG 3.25Å; V223-L227 PolarHBondContact O-N 3.16Å; K224-L227 PolarHBondContact O-N 3.07Å; E225-L227 PolarHBondContact O-N 3.28Å; L227-T230 WeakPolarHBondContact CA-OG1 3.4Å; L227-T230 PolarHBondContact O-OG1 3.02Å; L227-S231 WeakPolarHBondContact O-CB 3.37Å; L227-S231 PolarHBondContact O-N 3.12Å; L227-T249 HydrophobicContact CB-CG2 3.81Å; L227-N252 HydrophobicContact CD2-CB 3.99Å; L227-A255 HydrophobicContact CD2-CB 4.32Å; L227-L256 HydrophobicContact CD1-CD2 4.47Å; L227-L256 HydrophobicContact CD2-CD2 4.18Å; L227-L256 HydrophobicContact CD2-CG 4.29Å; L227-L256 HydrophobicContact CG-CD2 4.45Å
228V87.9Confident78.8Confident87 Ų8780.1 Ų80.153%0.52741%0.412SS..Hα-helixtrans-65.8-47.9173.8173.90000111K224 E225 S231 L232 T249K224-V228 WeakPolarHBondContact O-CG2 3.41Å; K224-V228 PolarHBondContact O-N 2.82Å; E225-V228 PolarHBondContact O-N 2.96Å; V228-S231 PolarHBondContact O-N 3.15Å; V228-L232 WeakPolarHBondContact O-CB 3.47Å; V228-L232 PolarHBondContact O-N 3.38Å; V228-T249 HydrophobicContact CG2-CG2 3.79Å
229E86.8Confident77Confident49 Ų4987.3 Ų87.323%0.22945%0.448CS..Hα-helixtrans-67.8-40.3-177.8177.466.2176.700112.1E225 Y226 S231 L232 R233 I270E225-E229 WeakPolarHBondContact O-CB 3.41Å; E225-E229 PolarHBondContact O-N 3.04Å; Y226-E229 PolarHBondContact O-N 3.02Å; E229-S231 PolarHBondContact O-N 3.27Å; E229-L232 PolarHBondContact O-N 2.98Å; E229-R233 HydrophobicContact CG-CG 4.31Å; E229-R233 WeakPolarHBondContact O-CB 3.5Å; E229-R233 WeakPolarHBondContact O-CG 3.46Å; E229-R233 PolarHBondContact O-N 3.4Å; E229-R233 IonicContact OE1-CZ 2.72Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 2.77Å; E229-R233 IonicContact OE1-NH2 3.65Å; E229-R233 PolarHBondContact OE1-NH2 2.72Å; E229-R233 IonicContact OE2-NH2 3.61Å; E229-I270 HydrophobicContact CB-CD1 4.35Å; E229-I270 HydrophobicContact CG-CD1 3.6Å; E229-I270 HydrophobicContact CG-CG1 4.27Å
230T86Confident74.7Confident1 Ų186.9 Ų86.91%0.00644%0.444CS..Hα-helixtrans-64.5-37.5174.546.90000112.8Y226 L227 T234 I270 Y273Y226-T230 HydrophobicContact CD2-CG2 3.96Å; Y226-T230 HydrophobicContact CE1-CG2 4.13Å; Y226-T230 HydrophobicContact CE2-CG2 3.45Å; Y226-T230 VanDerWaalsContact CE2-CG2 3.45Å; Y226-T230 HydrophobicContact CG-CG2 4.48Å; Y226-T230 WeakPolarHBondContact O-CB 3.35Å; Y226-T230 WeakPolarHBondContact O-CG2 3.46Å; Y226-T230 PolarHBondContact O-N 3.39Å; Y226-T230 PolarHBondContact O-OG1 3.43Å; L227-T230 WeakPolarHBondContact CA-OG1 3.4Å; L227-T230 PolarHBondContact O-OG1 3.02Å; T230-T234 WeakPolarHBondContact O-CB 3.39Å; T230-T234 PolarHBondContact O-N 2.91Å; T230-T234 PolarHBondContact O-OG1 2.84Å; T230-I270 HydrophobicContact CG2-CB 4.44Å; T230-I270 HydrophobicContact CG2-CG1 3.87Å; T230-Y273 HydrophobicContact CG2-CD1 3.85Å; T230-Y273 HydrophobicContact CG2-CE1 4.48Å; T230-Y273 HydrophobicContact CG2-CG 4.39Å
231S82.4Confident72.5Confident73 Ų7386.7 Ų86.751%0.5145%0.447SS..Hα-helixtrans-62.8-51.9172.7-1720000111.2L227 V228 E229 R233 T234 G235L227-S231 WeakPolarHBondContact O-CB 3.37Å; L227-S231 PolarHBondContact O-N 3.12Å; V228-S231 PolarHBondContact O-N 3.15Å; E229-S231 PolarHBondContact O-N 3.27Å; S231-R233 VanDerWaalsContact C-N 3.3Å; S231-R233 PolarHBondContact O-N 3.09Å; S231-T234 WeakPolarHBondContact O-CB 3.49Å; S231-T234 PolarHBondContact O-N 3.09Å; S231-T234 VanDerWaalsContact O-N 3.08Å; S231-G235 PolarHBondContact O-N 3.34Å
232L80.2Confident70.4Confident123 Ų12393.9 Ų93.964%0.64446%0.462SS*.Hα-helixtrans-57.7-39.6178.6-178.263.7000112.8V228 E229V228-L232 WeakPolarHBondContact O-CB 3.47Å; V228-L232 PolarHBondContact O-N 3.38Å; E229-L232 PolarHBondContact O-N 2.98Å
233R73.3Confident68.5Low155 Ų15593.4 Ų93.459%0.58546%0.463SS*.Hα-helixtrans-75.1-26.8177.8-66-78.1174.9-142.7-15.4113.5E229 S231 I270 C274E229-R233 HydrophobicContact CG-CG 4.31Å; E229-R233 WeakPolarHBondContact O-CB 3.5Å; E229-R233 WeakPolarHBondContact O-CG 3.46Å; E229-R233 PolarHBondContact O-N 3.4Å; E229-R233 IonicContact OE1-CZ 2.72Å; E229-R233 IonicContact OE1-NE 2.72Å; E229-R233 PolarHBondContact OE1-NE 2.77Å; E229-R233 IonicContact OE1-NH2 3.65Å; E229-R233 PolarHBondContact OE1-NH2 2.72Å; E229-R233 IonicContact OE2-NH2 3.61Å; S231-R233 VanDerWaalsContact C-N 3.3Å; S231-R233 PolarHBondContact O-N 3.09Å; R233-I270 HydrophobicContact CG-CG2 4.05Å; R233-C274 WeakPolarHBondContact CB-SG 3.34Å
234T68.6Low66.4Low55 Ų5597.5 Ų97.534%0.33749%0.493SS..Hα-helixtrans-70.3-41.8177.1-65.70000111.3T230 S231 N236 Y273T230-T234 WeakPolarHBondContact O-CB 3.39Å; T230-T234 PolarHBondContact O-N 2.91Å; T230-T234 PolarHBondContact O-OG1 2.84Å; S231-T234 WeakPolarHBondContact O-CB 3.49Å; S231-T234 PolarHBondContact O-N 3.09Å; S231-T234 VanDerWaalsContact O-N 3.08Å; T234-N236 PolarHBondContact O-N 3.29Å; T234-Y273 VanDerWaalsContact OG1-CE1 3.29Å; T234-Y273 WeakPolarHBondContact OG1-CE1 3.41Å
235G55.4Low64Low38 Ų3897.7 Ų97.739%0.39251%0.513SS..  trans59.95.2155.700000118.9S231S231-G235 PolarHBondContact O-N 3.34Å
236N46.3Very low61.8Low139 Ų13994 Ų9474%0.74351%0.509SS*.  trans-111.84.6-169.5-85-16.6000114.5T234T234-N236 PolarHBondContact O-N 3.29Å
237E51.3Low59.9Low93 Ų93101.6 Ų101.644%0.43556%0.556SS.*  trans-99.640.6173.5-68.9-159.6139.200113.3I239 M240 D241 R250E237-I239 PolarHBondContact O-N 2.91Å; E237-M240 HydrophobicContact CB-CB 4.13Å; E237-M240 PolarHBondContact O-N 3.05Å; E237-D241 PolarHBondContact O-N 3.3Å; E237-R250 IonicContact OE2-CZ 3.94Å; E237-R250 IonicContact OE2-NH1 3.71Å; E237-R250 PolarHBondContact OE2-NH1 3.35Å; E237-R250 IonicContact OE2-NH2 3.13Å
238K48.3Very low58.1Low173 Ų173108.2 Ų108.275%0.75259%0.586SS**THydrogen-bonded Turntrans-62.815.1174.3-64.8-173177.7-178.40115.4
239I47.8Very low57Low161 Ų161106 Ų10683%0.82657%0.573SS**THydrogen-bonded Turntrans-122.2-20.7177.8-63.3177.6000110.3E237E237-I239 PolarHBondContact O-N 2.91Å
240M41.7Very low56.1Low108 Ų108111.3 Ų111.353%0.53259%0.591SS.*THydrogen-bonded Turntrans-101.9-18.4179.2-148.665.5163.500113.6E237 R242 I243E237-M240 HydrophobicContact CB-CB 4.13Å; E237-M240 PolarHBondContact O-N 3.05Å; M240-R242 PolarHBondContact O-N 2.9Å; M240-I243 PolarHBondContact O-N 3.49Å
241D40.3Very low55.6Low116 Ų116117.4 Ų117.462%0.6262%0.623SS**THydrogen-bonded Turntrans-60.710.3179.3-70.4-33.2000115.9E237E237-D241 PolarHBondContact O-N 3.3Å
242R46Very low55.7Low230 Ų230115.7 Ų115.787%0.86861%0.608SS**THydrogen-bonded Turntrans-104.5-19-178.2-67.9-168.3176.7-151.8-1.1115.4M240M240-R242 PolarHBondContact O-N 2.9Å
243I49.1Very low56Low96 Ų96118 Ų11849%0.49262%0.616SS.*SBendtrans-103.5-9.4-173.2-56.7170.4000111.6M240 E333M240-I243 PolarHBondContact O-N 3.49Å; I243-E333 HydrophobicContact CD1-CG 4.32Å; I243-E333 WeakPolarHBondContact CD1-OE1 3.4Å
244S46.4Very low56.6Low101 Ų101114.7 Ų114.771%0.70661%0.607SS**  trans-138.647.3-175.3-57.80000113.6G246S244-G246 PolarHBondContact O-N 3.1Å
245A38.4Very low57.6Low103 Ų103112 Ų11285%0.85159%0.591SS**  trans-75.132.1170.500000113.5
246G42.2Very low59.2Low51 Ų51112.4 Ų112.453%0.52658%0.584SS.*SBendtrans-101.1154.6174.400000111.3S244 H248S244-G246 PolarHBondContact O-N 3.1Å; G246-H248 PolarHBondContact O-N 2.86Å
247T51Low61.2Low161 Ų161110 Ų11099%0.98857%0.565SS**SBendtrans-7227.3-174.6-32.50000114.4
248H50.7Low63.1Low159 Ų159106 Ų10674%0.73655%0.546SS*.  trans-94.5124.8-179.1-169.562.4000110.2G246 R250G246-H248 PolarHBondContact O-N 2.86Å; H248-R250 PolarHBondContact O-N 3.13Å
249T64Low65.1Low40 Ų4097.7 Ų97.725%0.24551%0.51CS..  trans-71.6113.8176.5-15.70000108.3L227 V228 D251L227-T249 HydrophobicContact CB-CG2 3.81Å; V228-T249 HydrophobicContact CG2-CG2 3.79Å; T249-D251 PolarHBondContact O-N 3.16Å
250R69.3Low67.1Low161 Ų16191.4 Ų91.461%0.60848%0.478SS*.  trans-64.6122.5-179.9177.1175.7172.3-171.2-3.6110.2E237 H248 N252E237-R250 IonicContact OE2-CZ 3.94Å; E237-R250 IonicContact OE2-NH1 3.71Å; E237-R250 PolarHBondContact OE2-NH1 3.35Å; E237-R250 IonicContact OE2-NH2 3.13Å; H248-R250 PolarHBondContact O-N 3.13Å; R250-N252 PolarHBondContact O-N 3.29Å
251D74.1Confident69.3Low129 Ų12990.9 Ų90.969%0.6947%0.473SS*.  trans-55.5133.4173.6-66.8-41.1000111T249T249-D251 PolarHBondContact O-N 3.16Å
252N84.6Confident71.6Confident37 Ų3785.6 Ų85.620%0.19844%0.444CS..  trans-145.484-177.3-172-16.2000110.4L227 R250 Q254 A255 L256 Y273L227-N252 HydrophobicContact CD2-CB 3.99Å; R250-N252 PolarHBondContact O-N 3.29Å; N252-Q254 PolarHBondContact O-N 3.49Å; N252-Q254 PolarHBondContact OD1-N 3.07Å; N252-A255 HydrophobicContact CB-CB 4.04Å; N252-A255 PolarHBondContact O-N 3.32Å; N252-A255 VanDerWaalsContact O-N 3.11Å; N252-A255 PolarHBondContact OD1-N 2.9Å; N252-L256 PolarHBondContact O-N 3.33Å; N252-Y273 PolarHBondContact ND2-OH 3.41Å
253E87.3Confident73.5Confident171 Ų17181.5 Ų81.580%0.79944%0.44SS*.Hα-helixtrans-54.4-37.7179.1-61.1176.5165.400112.1L256 Y257E253-L256 PolarHBondContact O-N 3.33Å; E253-Y257 WeakPolarHBondContact O-CB 3.43Å; E253-Y257 PolarHBondContact O-N 2.93Å
254Q86.1Confident75.2Confident86 Ų8678.4 Ų78.440%0.40242%0.423SS..Hα-helixtrans-68.1-36.2179.3-176.25875.900112.5N252 E258 Y273N252-Q254 PolarHBondContact O-N 3.49Å; N252-Q254 PolarHBondContact OD1-N 3.07Å; Q254-E258 PolarHBondContact NE2-OE1 3.48Å; Q254-E258 WeakPolarHBondContact O-CG 3.37Å; Q254-E258 PolarHBondContact O-N 3.13Å; Q254-E258 VanDerWaalsContact O-N 3.12Å; Q254-Y273 HydrophobicContact CB-CE2 4.37Å; Q254-Y273 HydrophobicContact CG-CE2 4.07Å
255A88.7Confident77.2Confident0 Ų077 Ų770%041%0.408CS..Hα-helixtrans-68.6-45.9172.200000110.9Y226 L227 N252 Y257 E258 L259 Y273Y226-A255 HydrophobicContact CE1-CB 3.88Å; Y226-A255 PolarHBondContact OH-O 3.49Å; L227-A255 HydrophobicContact CD2-CB 4.32Å; N252-A255 HydrophobicContact CB-CB 4.04Å; N252-A255 PolarHBondContact O-N 3.32Å; N252-A255 VanDerWaalsContact O-N 3.11Å; N252-A255 PolarHBondContact OD1-N 2.9Å; A255-Y257 VanDerWaalsContact C-N 3.25Å; A255-Y257 PolarHBondContact O-N 3.26Å; A255-E258 PolarHBondContact O-N 2.87Å; A255-E258 VanDerWaalsContact O-N 3.15Å; A255-L259 PolarHBondContact O-N 3.39Å; A255-Y273 HydrophobicContact CB-CD2 4.03Å; A255-Y273 HydrophobicContact CB-CE2 3.9Å; A255-Y273 HydrophobicContact CB-CG 4.44Å
256L90Very high79.7Confident46 Ų4674.3 Ų74.324%0.24138%0.378CS..Hα-helixtrans-60.6-35.1176.8-64.1175.3000112.2W213 V223 L227 N252 E253 L259 L260W213-L256 HydrophobicContact CZ3-CD2 4.25Å; V223-L256 HydrophobicContact CG1-CD2 3.63Å; L227-L256 HydrophobicContact CD1-CD2 4.47Å; L227-L256 HydrophobicContact CD2-CD2 4.18Å; L227-L256 HydrophobicContact CD2-CG 4.29Å; L227-L256 HydrophobicContact CG-CD2 4.45Å; N252-L256 PolarHBondContact O-N 3.33Å; E253-L256 PolarHBondContact O-N 3.33Å; L256-L259 WeakPolarHBondContact O-CB 3.46Å; L256-L259 PolarHBondContact O-N 2.95Å; L256-L260 PolarHBondContact O-N 2.68Å
257Y88.9Confident81.9Confident88 Ų8879.4 Ų79.435%0.34539%0.386SS..Hα-helixtrans-71.1-35.8175-174.2-138.4000113.2L212 E253 A255 L259 L260 K261L212-Y257 HydrophobicContact CD2-CD2 4.4Å; L212-Y257 HydrophobicContact CD2-CE2 4.18Å; E253-Y257 WeakPolarHBondContact O-CB 3.43Å; E253-Y257 PolarHBondContact O-N 2.93Å; A255-Y257 VanDerWaalsContact C-N 3.25Å; A255-Y257 PolarHBondContact O-N 3.26Å; Y257-L259 VanDerWaalsContact C-N 3.34Å; Y257-L260 HydrophobicContact CD2-CD2 3.98Å; Y257-L260 HydrophobicContact CE2-CD2 4.15Å; Y257-L260 PolarHBondContact O-N 2.72Å; Y257-K261 VanDerWaalsContact CZ-CE 3.46Å; Y257-K261 WeakPolarHBondContact O-CG 3.29Å; Y257-K261 PolarHBondContact O-N 2.89Å
258E89.6Confident83.7Confident8 Ų875 Ų754%0.03735%0.354CS..Hα-helixtrans-68.1-32.8169.2-66.8-54.8134.600112Q254 A255 K261 C262 Y273Q254-E258 PolarHBondContact NE2-OE1 3.48Å; Q254-E258 WeakPolarHBondContact O-CG 3.37Å; Q254-E258 PolarHBondContact O-N 3.13Å; Q254-E258 VanDerWaalsContact O-N 3.12Å; A255-E258 PolarHBondContact O-N 2.87Å; A255-E258 VanDerWaalsContact O-N 3.15Å; E258-K261 PolarHBondContact O-N 3.42Å; E258-K261 IonicContact OE1-NZ 2.72Å; E258-K261 PolarHBondContact OE1-NZ 3.19Å; E258-K261 IonicContact OE2-NZ 2.6Å; E258-C262 WeakPolarHBondContact O-CB 3.4Å; E258-C262 PolarHBondContact O-N 3.27Å; E258-C262 PolarHBondContact O-SG 3.29Å; E258-Y273 HydrophobicContact CG-CD2 4.22Å
259L90.7Very high85.5Confident0 Ų067.4 Ų67.40%032%0.319CS..Hα-helixtrans-62.2-43.6172.4-175.964.3000111.7W213 Y226 A255 L256 Y257 C262 H264 I266 A269W213-L259 HydrophobicContact CZ3-CD2 4.37Å; Y226-L259 HydrophobicContact CD1-CD2 4.05Å; Y226-L259 HydrophobicContact CE1-CB 3.95Å; Y226-L259 HydrophobicContact CE1-CD2 4.26Å; Y226-L259 HydrophobicContact CE2-CD1 4.44Å; Y226-L259 HydrophobicContact CG-CD2 4.49Å; A255-L259 PolarHBondContact O-N 3.39Å; L256-L259 WeakPolarHBondContact O-CB 3.46Å; L256-L259 PolarHBondContact O-N 2.95Å; Y257-L259 VanDerWaalsContact C-N 3.34Å; L259-C262 PolarHBondContact O-N 2.86Å; L259-H264 VanDerWaalsContact O-CA 3.28Å; L259-H264 WeakPolarHBondContact O-CA 3.3Å; L259-H264 PolarHBondContact O-N 3.25Å; L259-I266 HydrophobicContact CD1-CG1 4.24Å; L259-A269 HydrophobicContact CB-CB 4.25Å; L259-A269 HydrophobicContact CD1-CB 3.8Å
260L89.7Confident86.7Confident28 Ų2866.7 Ų66.715%0.14731%0.314CS..Hα-helixtrans-58.8-51.7172.3179.475.3000111.6L212 L256 Y257 C262 N263L212-L260 HydrophobicContact CD2-CD2 4.04Å; L256-L260 PolarHBondContact O-N 2.68Å; Y257-L260 HydrophobicContact CD2-CD2 3.98Å; Y257-L260 HydrophobicContact CE2-CD2 4.15Å; Y257-L260 PolarHBondContact O-N 2.72Å; L260-C262 PolarHBondContact O-N 3.41Å; L260-N263 WeakPolarHBondContact O-CA 3.41Å; L260-N263 PolarHBondContact O-N 3.03Å
261K87.9Confident87.5Confident98 Ų9865.5 Ų65.543%0.42632%0.315SS..Hα-helixtrans-57.8-34.7179.1-73.2174.9-170.61730113.2Y257 E258 N263Y257-K261 VanDerWaalsContact CZ-CE 3.46Å; Y257-K261 WeakPolarHBondContact O-CG 3.29Å; Y257-K261 PolarHBondContact O-N 2.89Å; E258-K261 PolarHBondContact O-N 3.42Å; E258-K261 IonicContact OE1-NZ 2.72Å; E258-K261 PolarHBondContact OE1-NZ 3.19Å; E258-K261 IonicContact OE2-NZ 2.6Å; K261-N263 PolarHBondContact O-N 3.11Å
262C88.3Confident88Confident4 Ų464.7 Ų64.73%0.02730%0.302CS..THydrogen-bonded Turntrans-81.217.8176-66.60000113.4E258 L259 L260 H264 N265 E268 A269 R272E258-C262 WeakPolarHBondContact O-CB 3.4Å; E258-C262 PolarHBondContact O-N 3.27Å; E258-C262 PolarHBondContact O-SG 3.29Å; L259-C262 PolarHBondContact O-N 2.86Å; L260-C262 PolarHBondContact O-N 3.41Å; C262-H264 PolarHBondContact O-N 3.2Å; C262-H264 VanDerWaalsContact O-N 3.12Å; C262-N265 HydrophobicContact CB-CB 4.47Å; C262-N265 VanDerWaalsContact O-CB 3.24Å; C262-N265 WeakPolarHBondContact O-CB 3.22Å; C262-N265 PolarHBondContact O-N 3.26Å; C262-E268 HydrophobicContact CB-CB 4.48Å; C262-A269 HydrophobicContact CB-CB 3.94Å; C262-A269 VanDerWaalsContact SG-CA 3.54Å; C262-R272 PolarHBondContact SG-NH1 3.42Å
263N86.4Confident88Confident144 Ų14464.5 Ų64.577%0.7730%0.299SS*.THydrogen-bonded Turntrans48.638.7-174.2-63.3108.6000112.6L260 K261 N265L260-N263 WeakPolarHBondContact O-CA 3.41Å; L260-N263 PolarHBondContact O-N 3.03Å; K261-N263 PolarHBondContact O-N 3.11Å; N263-N265 VanDerWaalsContact C-N 3.26Å; N263-N265 PolarHBondContact O-N 3.36Å
264H85.9Confident87.6Confident32 Ų3257.6 Ų57.615%0.14827%0.269CS..THydrogen-bonded Turntrans66.815-177.7-49.988.5000115.9V217 V218 L259 C262 I266V217-H264 HydrophobicContact CG1-CB 3.92Å; V217-H264 WeakPolarHBondContact CG1-ND1 3.41Å; V218-H264 HydrophobicContact CG2-CB 3.51Å; L259-H264 VanDerWaalsContact O-CA 3.28Å; L259-H264 WeakPolarHBondContact O-CA 3.3Å; L259-H264 PolarHBondContact O-N 3.25Å; C262-H264 PolarHBondContact O-N 3.2Å; C262-H264 VanDerWaalsContact O-N 3.12Å; H264-I266 PolarHBondContact O-N 2.97Å
265N88.3Confident87.1Confident72 Ų7257.9 Ų57.939%0.38528%0.28SS..  trans-72.191.8169.9-176.62.8000111.2C262 N263 K267 E268 A269C262-N265 HydrophobicContact CB-CB 4.47Å; C262-N265 VanDerWaalsContact O-CB 3.24Å; C262-N265 WeakPolarHBondContact O-CB 3.22Å; C262-N265 PolarHBondContact O-N 3.26Å; N263-N265 VanDerWaalsContact C-N 3.26Å; N263-N265 PolarHBondContact O-N 3.36Å; N265-K267 VanDerWaalsContact C-N 3.25Å; N265-K267 PolarHBondContact O-N 3.44Å; N265-K267 VanDerWaalsContact O-N 3.1Å; N265-K267 PolarHBondContact OD1-N 3.49Å; N265-E268 HydrophobicContact CB-CB 4.07Å; N265-E268 VanDerWaalsContact ND2-CB 3.29Å; N265-E268 WeakPolarHBondContact ND2-CB 3.27Å; N265-E268 PolarHBondContact ND2-OE2 3.44Å; N265-E268 PolarHBondContact O-N 2.95Å; N265-E268 VanDerWaalsContact O-N 3.16Å; N265-A269 WeakPolarHBondContact O-CB 3.36Å; N265-A269 PolarHBondContact O-N 2.99Å
266I89.3Confident85.9Confident45 Ų4560.4 Ų60.423%0.23129%0.293CS..Hα-helixtrans-43.1-45.9-178.8-62.8171.2000113.2K222 Y226 L259 H264 A269 I270K222-I266 HydrophobicContact CB-CD1 3.85Å; K222-I266 HydrophobicContact CD-CD1 4.1Å; K222-I266 HydrophobicContact CG-CD1 4.4Å; Y226-I266 HydrophobicContact CD2-CG2 3.99Å; L259-I266 HydrophobicContact CD1-CG1 4.24Å; H264-I266 PolarHBondContact O-N 2.97Å; I266-A269 PolarHBondContact O-N 3.18Å; I266-I270 HydrophobicContact CG2-CD1 4Å; I266-I270 WeakPolarHBondContact O-CD1 3.43Å; I266-I270 VanDerWaalsContact O-CG1 3.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.1Å; I266-I270 PolarHBondContact O-N 3.48Å
267K88.7Confident84.5Confident158 Ų15860.1 Ų60.169%0.68730%0.302SS*.Hα-helixtrans-69.5-48.3-175.7-66.8-177.4178.1-178.90112N265 A269 I270 E271N265-K267 VanDerWaalsContact C-N 3.25Å; N265-K267 PolarHBondContact O-N 3.44Å; N265-K267 VanDerWaalsContact O-N 3.1Å; N265-K267 PolarHBondContact OD1-N 3.49Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 2.75Å; K267-I270 PolarHBondContact O-N 3.25Å; K267-E271 PolarHBondContact O-N 2.95Å
268E88.9Confident82.8Confident69 Ų6964 Ų6432%0.32232%0.321SS..Hα-helixtrans-67-31.9178.4-170.4179.8168.500111.3C262 N265 R272C262-E268 HydrophobicContact CB-CB 4.48Å; N265-E268 HydrophobicContact CB-CB 4.07Å; N265-E268 VanDerWaalsContact ND2-CB 3.29Å; N265-E268 WeakPolarHBondContact ND2-CB 3.27Å; N265-E268 PolarHBondContact ND2-OE2 3.44Å; N265-E268 PolarHBondContact O-N 2.95Å; N265-E268 VanDerWaalsContact O-N 3.16Å; E268-R272 WeakPolarHBondContact O-CB 3.46Å; E268-R272 WeakPolarHBondContact O-CG 3.39Å; E268-R272 PolarHBondContact O-N 2.92Å; E268-R272 IonicContact OE1-CZ 3.68Å; E268-R272 IonicContact OE1-NH1 2.72Å; E268-R272 PolarHBondContact OE1-NH1 3.32Å; E268-R272 IonicContact OE1-NH2 3.99Å; E268-R272 PolarHBondContact OE1-NH2 2.81Å
269A89.6Confident80.7Confident0 Ų066.9 Ų66.90%035%0.346CS..Hα-helixtrans-66.8-40.3170.800000113Y226 L259 C262 N265 I266 K267 Y273Y226-A269 HydrophobicContact CE2-CB 3.55Å; L259-A269 HydrophobicContact CB-CB 4.25Å; L259-A269 HydrophobicContact CD1-CB 3.8Å; C262-A269 HydrophobicContact CB-CB 3.94Å; C262-A269 VanDerWaalsContact SG-CA 3.54Å; N265-A269 WeakPolarHBondContact O-CB 3.36Å; N265-A269 PolarHBondContact O-N 2.99Å; I266-A269 PolarHBondContact O-N 3.18Å; K267-A269 VanDerWaalsContact C-N 3.27Å; K267-A269 PolarHBondContact O-N 2.75Å; A269-Y273 WeakPolarHBondContact O-CB 3.39Å; A269-Y273 PolarHBondContact O-N 2.86Å
270I87.9Confident78.6Confident24 Ų2469.4 Ų69.412%0.12336%0.363CS..Hα-helixtrans-63.5-48.4173.1-67.3155.9000109.5Y226 E229 T230 R233 I266 K267 Y273 C274Y226-I270 HydrophobicContact CD2-CD1 4.28Å; Y226-I270 HydrophobicContact CD2-CG1 3.71Å; Y226-I270 HydrophobicContact CE2-CG1 3.71Å; E229-I270 HydrophobicContact CB-CD1 4.35Å; E229-I270 HydrophobicContact CG-CD1 3.6Å; E229-I270 HydrophobicContact CG-CG1 4.27Å; T230-I270 HydrophobicContact CG2-CB 4.44Å; T230-I270 HydrophobicContact CG2-CG1 3.87Å; R233-I270 HydrophobicContact CG-CG2 4.05Å; I266-I270 HydrophobicContact CG2-CD1 4Å; I266-I270 WeakPolarHBondContact O-CD1 3.43Å; I266-I270 VanDerWaalsContact O-CG1 3.27Å; I266-I270 WeakPolarHBondContact O-CG1 3.1Å; I266-I270 PolarHBondContact O-N 3.48Å; K267-I270 PolarHBondContact O-N 3.25Å; I270-Y273 PolarHBondContact O-N 3.44Å; I270-C274 WeakPolarHBondContact O-CB 3.38Å; I270-C274 PolarHBondContact O-N 3.32Å; I270-C274 PolarHBondContact O-SG 2.77Å
271E86.4Confident76.8Confident136 Ų13674.2 Ų74.264%0.63639%0.385SS*.Hα-helixtrans-63.5-46.4-178.5-72178.1-17200112.2K267 C274 C275K267-E271 PolarHBondContact O-N 2.95Å; E271-C274 PolarHBondContact O-N 2.92Å; E271-C275 WeakPolarHBondContact O-CB 3.43Å; E271-C275 PolarHBondContact O-N 2.76Å; E271-C275 PolarHBondContact O-SG 3.13Å
272R85.6Confident74.5Confident112 Ų11277.5 Ų77.542%0.42340%0.402SS..Hα-helixtrans-61-48.7173.8-76.8-157.7-179.893.618111.7C262 E268 C274 C275 N276C262-R272 PolarHBondContact SG-NH1 3.42Å; E268-R272 WeakPolarHBondContact O-CB 3.46Å; E268-R272 WeakPolarHBondContact O-CG 3.39Å; E268-R272 PolarHBondContact O-N 2.92Å; E268-R272 IonicContact OE1-CZ 3.68Å; E268-R272 IonicContact OE1-NH1 2.72Å; E268-R272 PolarHBondContact OE1-NH1 3.32Å; E268-R272 IonicContact OE1-NH2 3.99Å; E268-R272 PolarHBondContact OE1-NH2 2.81Å; R272-C274 PolarHBondContact O-N 3.37Å; R272-C275 PolarHBondContact O-N 2.93Å; R272-N276 WeakPolarHBondContact O-CB 3.44Å; R272-N276 PolarHBondContact O-N 3.01Å
273Y84Confident72.6Confident33 Ų3381.2 Ų81.213%0.12944%0.441CS..Hα-helixtrans-60.5-42.4-180-179.3-100.3000112.3T230 T234 N252 Q254 A255 E258 A269 I270 N276 G277T230-Y273 HydrophobicContact CG2-CD1 3.85Å; T230-Y273 HydrophobicContact CG2-CE1 4.48Å; T230-Y273 HydrophobicContact CG2-CG 4.39Å; T234-Y273 VanDerWaalsContact OG1-CE1 3.29Å; T234-Y273 WeakPolarHBondContact OG1-CE1 3.41Å; N252-Y273 PolarHBondContact ND2-OH 3.41Å; Q254-Y273 HydrophobicContact CB-CE2 4.37Å; Q254-Y273 HydrophobicContact CG-CE2 4.07Å; A255-Y273 HydrophobicContact CB-CD2 4.03Å; A255-Y273 HydrophobicContact CB-CE2 3.9Å; A255-Y273 HydrophobicContact CB-CG 4.44Å; E258-Y273 HydrophobicContact CG-CD2 4.22Å; A269-Y273 WeakPolarHBondContact O-CB 3.39Å; A269-Y273 PolarHBondContact O-N 2.86Å; I270-Y273 PolarHBondContact O-N 3.44Å; Y273-N276 PolarHBondContact O-N 2.99Å; Y273-G277 PolarHBondContact O-N 3.07Å
274C79.1Confident70.9Confident26 Ų2678.1 Ų78.118%0.17642%0.422CS..Hα-helixtrans-75.7-26-178.9-62.20000114.2R233 I270 E271 R272R233-C274 WeakPolarHBondContact CB-SG 3.34Å; I270-C274 WeakPolarHBondContact O-CB 3.38Å; I270-C274 PolarHBondContact O-N 3.32Å; I270-C274 PolarHBondContact O-SG 2.77Å; E271-C274 PolarHBondContact O-N 2.92Å; R272-C274 PolarHBondContact O-N 3.37Å
275C74.6Confident69.9Low92 Ų9280.3 Ų80.362%0.62244%0.438SS*.Hα-helixtrans-77.5-44.3169.5-75.90000111.2E271 R272E271-C275 WeakPolarHBondContact O-CB 3.43Å; E271-C275 PolarHBondContact O-N 2.76Å; E271-C275 PolarHBondContact O-SG 3.13Å; R272-C275 PolarHBondContact O-N 2.93Å
276N64.4Low69.3Low53 Ų5380.5 Ų80.528%0.28345%0.45SS..Hα-helixtrans-77.4-29.2-174.9-162.737.1000113.2R272 Y273 K278 A279 S280R272-N276 WeakPolarHBondContact O-CB 3.44Å; R272-N276 PolarHBondContact O-N 3.01Å; Y273-N276 PolarHBondContact O-N 2.99Å; N276-K278 PolarHBondContact O-N 3.15Å; N276-A279 CarbonylContact O-C 3.59Å; N276-A279 PolarHBondContact O-N 2.98Å; N276-S280 VanDerWaalsContact CG-OG 3.3Å; N276-S280 PolarHBondContact ND2-OG 3.05Å; N276-S280 PolarHBondContact O-N 3.28Å; N276-S280 PolarHBondContact OD1-OG 2.92Å
277G59.4Low69.1Low41 Ų4180.1 Ų80.142%0.42345%0.446SS..THydrogen-bonded Turntrans-61.7-9.3174.400000114.8Y273Y273-G277 PolarHBondContact O-N 3.07Å
278K53.2Low69Low170 Ų17075.6 Ų75.674%0.73943%0.431SS*.THydrogen-bonded Turntrans-94.2-5.5172.2-62.4170.2-173.31650113.5N276N276-K278 PolarHBondContact O-N 3.15Å
279A46.1Very low69Low68 Ų6877.2 Ų77.256%0.56244%0.439SS*.THydrogen-bonded Turntrans-121.7-50.9-179.500000111.4N276 Q281N276-A279 CarbonylContact O-C 3.59Å; N276-A279 PolarHBondContact O-N 2.98Å; A279-Q281 PolarHBondContact O-N 3.28Å
280S46.5Very low68.9Low52 Ų5282.2 Ų82.236%0.36446%0.462SS..  trans-79.442.6-178-62.90000114.9N276 E282N276-S280 VanDerWaalsContact CG-OG 3.3Å; N276-S280 PolarHBondContact ND2-OG 3.05Å; N276-S280 PolarHBondContact O-N 3.28Å; N276-S280 PolarHBondContact OD1-OG 2.92Å; S280-E282 PolarHBondContact O-N 3.04Å
281Q51.5Low69.1Low129 Ų12982 Ų8260%0.60346%0.461SS*.THydrogen-bonded Turntrans-76.236.7161.2-80.8-81.7-49.100111A279A279-Q281 PolarHBondContact O-N 3.28Å
282E40.8Very low69.3Low167 Ų16776.3 Ų76.378%0.7844%0.435SS*.THydrogen-bonded Turntrans-114.8-17.1-159.1-166.4160.5-153.500112.9S280S280-E282 PolarHBondContact O-N 3.04Å
283G47.8Very low69.5Low82 Ų8276.3 Ų76.385%0.84544%0.435SS*.SBendtrans-78.7-24.3173.700000114.6
284M50.7Low69.9Low79 Ų7976.7 Ų76.739%0.38944%0.443SS..SBendtrans-159.992.5174.9-172.365.7144.600108.3A286 E321M284-A286 PolarHBondContact O-N 3.07Å; M284-E321 HydrophobicContact CE-CB 4.21Å; M284-E321 HydrophobicContact CE-CG 4.17Å; M284-E321 HydrophobicContact SD-CB 4.45Å; M284-E321 HydrophobicContact SD-CG 3.82Å
285T64.3Low70.6Confident79 Ų7975.4 Ų75.449%0.48543%0.434SS..PPolyproline II helixtrans-59.1130175490000109.3W287 R317T285-W287 PolarHBondContact O-N 2.99Å; T285-R317 PolarHBondContact O-NH1 3.31Å; T285-R317 PolarHBondContact O-NH2 2.8Å; T285-R317 PolarHBondContact OG1-NH1 2.96Å; T285-R317 PolarHBondContact OG1-NH2 2.85Å
286A75.8Confident71.4Confident76 Ų7672 Ų7263%0.62841%0.41SS*.PPolyproline II helixtrans-53.1131.3-175.300000111.5M284 T288M284-A286 PolarHBondContact O-N 3.07Å; A286-T288 PolarHBondContact O-N 3.37Å
287W85.3Confident72.7Confident37 Ų3774 Ų7414%0.1442%0.417CS..PPolyproline II helixtrans-64.5125.6-178-81.257.8000110.3T285 E291 F295 V314 R317 E321 F325T285-W287 PolarHBondContact O-N 2.99Å; W287-E291 WeakPolarHBondContact CA-OE2 3.36Å; W287-E291 HydrophobicContact CE3-CB 3.79Å; W287-E291 HydrophobicContact CZ3-CB 4.31Å; W287-F295 HydrophobicContact CH2-CD2 4.25Å; W287-F295 HydrophobicContact CZ3-CB 4.06Å; W287-F295 HydrophobicContact CZ3-CD2 4.22Å; W287-F295 HydrophobicContact CZ3-CG 4.33Å; W287-V314 HydrophobicContact CH2-CG1 3.85Å; W287-V314 HydrophobicContact CZ3-CG1 3.8Å; W287-R317 HydrophobicContact CH2-CB 4.47Å; W287-R317 HydrophobicContact CH2-CG 4.03Å; W287-R317 HydrophobicContact CZ2-CB 4.33Å; W287-R317 HydrophobicContact CZ2-CG 3.83Å; W287-E321 HydrophobicContact CZ2-CB 4.31Å; W287-F325 HydrophobicContact CB-CD2 4.33Å; W287-F325 HydrophobicContact CB-CE2 4Å; W287-F325 AromaticContact CD1-CD2 3.94Å; W287-F325 HydrophobicContact CD2-CB 4.25Å; W287-F325 HydrophobicContact CD2-CD1 4.24Å; W287-F325 AromaticContact CD2-CD2 3.4Å; W287-F325 HydrophobicContact CD2-CD2 3.4Å; W287-F325 VanDerWaalsContact CD2-CD2 3.4Å; W287-F325 AromaticContact CD2-CE2 3.73Å; W287-F325 HydrophobicContact CD2-CE2 3.73Å; W287-F325 AromaticContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CZ 4.28Å; W287-F325 AromaticContact CE2-CD2 3.63Å; W287-F325 AromaticContact CE2-CG 3.62Å; W287-F325 AromaticContact CE3-CD1 3.86Å; W287-F325 HydrophobicContact CE3-CD1 3.86Å; W287-F325 AromaticContact CE3-CD2 3.8Å; W287-F325 HydrophobicContact CE3-CD2 3.8Å; W287-F325 AromaticContact CE3-CE1 3.92Å; W287-F325 HydrophobicContact CE3-CE1 3.92Å; W287-F325 AromaticContact CE3-CE2 3.86Å; W287-F325 HydrophobicContact CE3-CE2 3.86Å; W287-F325 AromaticContact CE3-CG 3.81Å; W287-F325 HydrophobicContact CE3-CG 3.81Å; W287-F325 AromaticContact CE3-CZ 3.92Å; W287-F325 HydrophobicContact CE3-CZ 3.92Å; W287-F325 AromaticContact CG-CD2 3.64Å; W287-F325 HydrophobicContact CG-CD2 3.64Å; W287-F325 AromaticContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CG 4.39Å; W287-F325 HydrophobicContact CH2-CB 3.82Å; W287-F325 AromaticContact CH2-CD1 3.85Å; W287-F325 HydrophobicContact CH2-CD1 3.85Å; W287-F325 AromaticContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CZ2-CB 3.41Å; W287-F325 VanDerWaalsContact CZ2-CB 3.41Å; W287-F325 HydrophobicContact CZ2-CD1 4.23Å; W287-F325 HydrophobicContact CZ2-CD2 4.2Å; W287-F325 AromaticContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ3-CB 4.4Å; W287-F325 AromaticContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD2 4.34Å; W287-F325 AromaticContact CZ3-CE1 3.98Å; W287-F325 HydrophobicContact CZ3-CE1 3.98Å; W287-F325 AromaticContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CZ 4.45Å; W287-F325 AromaticContact NE1-CD2 3.93Å
288T87.1Confident74.2Confident62 Ų6272.1 Ų72.138%0.3840%0.397SS..PPolyproline II helixtrans-73.4159.817993.50000110.8A286 E290 E291 C292A286-T288 PolarHBondContact O-N 3.37Å; T288-E290 VanDerWaalsContact CB-OE2 3.26Å; T288-E290 WeakPolarHBondContact CB-OE2 3.12Å; T288-E290 PolarHBondContact O-N 3.35Å; T288-E290 PolarHBondContact OG1-N 2.79Å; T288-E290 PolarHBondContact OG1-OE2 3.41Å; T288-E291 HydrophobicContact CG2-CG 4.38Å; T288-E291 PolarHBondContact N-OE2 3Å; T288-E291 VanDerWaalsContact N-OE2 3.09Å; T288-E291 PolarHBondContact O-N 3.27Å; T288-E291 PolarHBondContact OG1-N 3.32Å; T288-C292 PolarHBondContact O-N 3.44Å; T288-C292 PolarHBondContact O-SG 3Å; T288-C292 VanDerWaalsContact O-SG 3.36Å
289E88.1Confident76.1Confident104 Ų10465.1 Ų65.149%0.48637%0.367SS..Hα-helixtrans-63.2-26.9178.3-153.6-156.9133.900111.8R293E289-R293 WeakPolarHBondContact O-CB 3.46Å; E289-R293 WeakPolarHBondContact O-CG 3.42Å; E289-R293 PolarHBondContact O-N 3.46Å; E289-R293 PolarHBondContact O-NE 2.81Å; E289-R293 IonicContact OE1-CZ 2.73Å; E289-R293 VanDerWaalsContact OE1-CZ 3.27Å; E289-R293 IonicContact OE1-NE 3.67Å; E289-R293 PolarHBondContact OE1-NE 3.18Å; E289-R293 IonicContact OE1-NH1 3.34Å; E289-R293 PolarHBondContact OE1-NH1 2.81Å; E289-R293 IonicContact OE1-NH2 3.62Å
290E89Confident78.2Confident104 Ų10467.6 Ų67.649%0.48637%0.369SS..Hα-helixtrans-69.6-42.2172.9-58.662-125.700111.2T288 R293 S294T288-E290 VanDerWaalsContact CB-OE2 3.26Å; T288-E290 WeakPolarHBondContact CB-OE2 3.12Å; T288-E290 PolarHBondContact O-N 3.35Å; T288-E290 PolarHBondContact OG1-N 2.79Å; T288-E290 PolarHBondContact OG1-OE2 3.41Å; E290-R293 IonicContact OE1-CZ 3.27Å; E290-R293 IonicContact OE1-NH2 3.82Å; E290-R293 PolarHBondContact OE1-NH2 3.35Å; E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.3Å; E290-S294 PolarHBondContact O-OG 3.45Å
291E90.9Very high80.3Confident21 Ų2170 Ų7010%0.09838%0.377CS..Hα-helixtrans-64.8-45.8175.3-64.7-173.911800110.9W287 T288 S294 F295 T316 R317W287-E291 WeakPolarHBondContact CA-OE2 3.36Å; W287-E291 HydrophobicContact CE3-CB 3.79Å; W287-E291 HydrophobicContact CZ3-CB 4.31Å; T288-E291 HydrophobicContact CG2-CG 4.38Å; T288-E291 PolarHBondContact N-OE2 3Å; T288-E291 VanDerWaalsContact N-OE2 3.09Å; T288-E291 PolarHBondContact O-N 3.27Å; T288-E291 PolarHBondContact OG1-N 3.32Å; E291-S294 PolarHBondContact O-N 2.91Å; E291-F295 WeakPolarHBondContact O-CB 3.49Å; E291-F295 PolarHBondContact O-N 3.08Å; E291-T316 WeakPolarHBondContact OE1-CB 3.38Å; E291-T316 PolarHBondContact OE1-OG1 2.84Å; E291-R317 IonicContact OE1-CZ 2.69Å; E291-R317 IonicContact OE1-NE 3.82Å; E291-R317 PolarHBondContact OE1-NE 3Å; E291-R317 IonicContact OE1-NH2 3.76Å; E291-R317 IonicContact OE2-CZ 3.13Å; E291-R317 IonicContact OE2-NE 2.69Å; E291-R317 PolarHBondContact OE2-NE 3.31Å; E291-R317 IonicContact OE2-NH2 3.83Å; E291-R317 PolarHBondContact OE2-NH2 2.98Å
292C90.3Very high82.1Confident15 Ų1566.6 Ų66.610%0.10136%0.36CS..Hα-helixtrans-57.4-52175.1-67.40000112T288 S294 F295 E296 F325T288-C292 PolarHBondContact O-N 3.44Å; T288-C292 PolarHBondContact O-SG 3Å; T288-C292 VanDerWaalsContact O-SG 3.36Å; C292-S294 VanDerWaalsContact C-N 3.31Å; C292-S294 PolarHBondContact O-N 3.02Å; C292-F295 WeakPolarHBondContact O-CB 3.42Å; C292-F295 PolarHBondContact O-N 3.48Å; C292-E296 VanDerWaalsContact O-CG 3.28Å; C292-E296 WeakPolarHBondContact O-CG 3.27Å; C292-E296 PolarHBondContact O-N 3Å; C292-F325 HydrophobicContact CB-CZ 4.35Å; C292-F325 VanDerWaalsContact SG-CZ 3.56Å
293R90.9Very high84.4Confident112 Ų11260.4 Ų60.442%0.42334%0.341SS..Hα-helixtrans-63.3-36.2177.6-72.3175.9-69.4-174.8-1.8112.4E289 E290 H297 R334E289-R293 WeakPolarHBondContact O-CB 3.46Å; E289-R293 WeakPolarHBondContact O-CG 3.42Å; E289-R293 PolarHBondContact O-N 3.46Å; E289-R293 PolarHBondContact O-NE 2.81Å; E289-R293 IonicContact OE1-CZ 2.73Å; E289-R293 VanDerWaalsContact OE1-CZ 3.27Å; E289-R293 IonicContact OE1-NE 3.67Å; E289-R293 PolarHBondContact OE1-NE 3.18Å; E289-R293 IonicContact OE1-NH1 3.34Å; E289-R293 PolarHBondContact OE1-NH1 2.81Å; E289-R293 IonicContact OE1-NH2 3.62Å; E290-R293 IonicContact OE1-CZ 3.27Å; E290-R293 IonicContact OE1-NH2 3.82Å; E290-R293 PolarHBondContact OE1-NH2 3.35Å; R293-H297 WeakPolarHBondContact O-CB 3.48Å; R293-H297 PolarHBondContact O-N 2.73Å; R293-H297 VanDerWaalsContact O-N 3.07Å; R293-R334 VanDerWaalsContact CG-NH2 3.29Å
294S92.1Very high86.5Confident41 Ų4163 Ų6329%0.28733%0.33SS..Hα-helixtrans-68.9-39.3177.2-62.10000111.7E290 E291 C292 A298 K313E290-S294 WeakPolarHBondContact O-CB 3.28Å; E290-S294 PolarHBondContact O-N 3.3Å; E290-S294 PolarHBondContact O-OG 3.45Å; E291-S294 PolarHBondContact O-N 2.91Å; C292-S294 VanDerWaalsContact C-N 3.31Å; C292-S294 PolarHBondContact O-N 3.02Å; S294-A298 VanDerWaalsContact O-CB 3.24Å; S294-A298 WeakPolarHBondContact O-CB 3.28Å; S294-A298 PolarHBondContact O-N 3.02Å; S294-K313 WeakPolarHBondContact CB-O 3.23Å
295F92.9Very high88.5Confident0 Ų062.6 Ų62.60%033%0.329CS..Hα-helixtrans-64.2-47.1173.8179-88.6000111.7W287 E291 C292 H297 A298 L299 F306 I309 V314 C322 F325 Y326 W329W287-F295 HydrophobicContact CH2-CD2 4.25Å; W287-F295 HydrophobicContact CZ3-CB 4.06Å; W287-F295 HydrophobicContact CZ3-CD2 4.22Å; W287-F295 HydrophobicContact CZ3-CG 4.33Å; E291-F295 WeakPolarHBondContact O-CB 3.49Å; E291-F295 PolarHBondContact O-N 3.08Å; C292-F295 WeakPolarHBondContact O-CB 3.42Å; C292-F295 PolarHBondContact O-N 3.48Å; F295-H297 PolarHBondContact O-N 2.9Å; F295-A298 CarbonylContact O-C 3.58Å; F295-A298 WeakPolarHBondContact O-CA 3.31Å; F295-A298 WeakPolarHBondContact O-CB 3.43Å; F295-A298 PolarHBondContact O-N 3.4Å; F295-L299 HydrophobicContact CE1-CD1 4.26Å; F295-L299 HydrophobicContact CZ-CD1 4.15Å; F295-L299 WeakPolarHBondContact O-CB 3.19Å; F295-L299 PolarHBondContact O-N 3.19Å; F295-F306 HydrophobicContact CE2-CD1 4.41Å; F295-F306 HydrophobicContact CE2-CE1 4.4Å; F295-F306 HydrophobicContact CZ-CE1 4.21Å; F295-I309 HydrophobicContact CD2-CG2 3.81Å; F295-I309 HydrophobicContact CE2-CG2 4.13Å; F295-V314 HydrophobicContact CB-CG2 3.97Å; F295-V314 HydrophobicContact CD2-CG2 4.37Å; F295-C322 HydrophobicContact CE2-CB 4.29Å; F295-F325 HydrophobicContact CB-CE1 4.28Å; F295-F325 AromaticContact CD1-CD1 3.87Å; F295-F325 HydrophobicContact CD1-CD1 3.87Å; F295-F325 AromaticContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD2-CD1 4.09Å; F295-F325 HydrophobicContact CD2-CE1 4.5Å; F295-F325 AromaticContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CE1 4.07Å; F295-F325 HydrophobicContact CE2-CD1 4.21Å; F295-F325 AromaticContact CG-CD1 3.94Å; F295-F325 HydrophobicContact CG-CD1 3.94Å; F295-F325 AromaticContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CZ-CD1 4.17Å; F295-Y326 HydrophobicContact CE1-CD2 4.38Å; F295-Y326 HydrophobicContact CZ-CD2 4.09Å; F295-Y326 HydrophobicContact CZ-CG 4.49Å; F295-W329 HydrophobicContact CE1-CD2 4.41Å; F295-W329 HydrophobicContact CE1-CE3 4.12Å; F295-W329 HydrophobicContact CE1-CZ3 4.35Å
296E92.1Very high89.9Confident21 Ų2160.3 Ų60.310%0.09831%0.312CS..Hα-helixtrans-58.1-50.4177.9-73.9163.6162.700111.5C292 A298 L299 M300 W329 R334 F338C292-E296 VanDerWaalsContact O-CG 3.28Å; C292-E296 WeakPolarHBondContact O-CG 3.27Å; C292-E296 PolarHBondContact O-N 3Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 3.08Å; E296-L299 PolarHBondContact O-N 3.48Å; E296-M300 WeakPolarHBondContact O-CG 3.18Å; E296-M300 PolarHBondContact O-N 2.72Å; E296-M300 VanDerWaalsContact O-N 3.09Å; E296-W329 HydrophobicContact CG-CZ2 3.71Å; E296-W329 PolarHBondContact OE1-NE1 3.24Å; E296-R334 WeakPolarHBondContact OE1-CD 3.35Å; E296-R334 WeakPolarHBondContact OE1-CG 3.13Å; E296-R334 IonicContact OE1-CZ 3.37Å; E296-R334 IonicContact OE1-NE 2.7Å; E296-R334 PolarHBondContact OE1-NE 2.77Å; E296-R334 IonicContact OE1-NH2 3.34Å; E296-R334 IonicContact OE2-CZ 3.97Å; E296-R334 IonicContact OE2-NE 3.5Å; E296-R334 PolarHBondContact OE2-NE 3.2Å; E296-R334 IonicContact OE2-NH2 2.88Å; E296-R334 PolarHBondContact OE2-NH2 3.47Å; E296-F338 HydrophobicContact CB-CD2 3.95Å; E296-F338 HydrophobicContact CB-CE2 3.9Å; E296-F338 HydrophobicContact CG-CD2 4.04Å; E296-F338 HydrophobicContact CG-CE2 4.36Å
297H91Very high90.8Very high95 Ų9562.8 Ų62.844%0.4431%0.311SS..Hα-helixtrans-62.8-31.4174.8-173.4-41000112.4R293 F295 L301R293-H297 WeakPolarHBondContact O-CB 3.48Å; R293-H297 PolarHBondContact O-N 2.73Å; R293-H297 VanDerWaalsContact O-N 3.07Å; F295-H297 PolarHBondContact O-N 2.9Å; H297-L301 WeakPolarHBondContact O-CG 3.47Å; H297-L301 PolarHBondContact O-N 3.35Å
298A92.3Very high91.2Very high0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-71.8-41.1175.700000111.9S294 F295 E296 M300 L301 F302 I309 K313S294-A298 VanDerWaalsContact O-CB 3.24Å; S294-A298 WeakPolarHBondContact O-CB 3.28Å; S294-A298 PolarHBondContact O-N 3.02Å; F295-A298 CarbonylContact O-C 3.58Å; F295-A298 WeakPolarHBondContact O-CA 3.31Å; F295-A298 WeakPolarHBondContact O-CB 3.43Å; F295-A298 PolarHBondContact O-N 3.4Å; E296-A298 VanDerWaalsContact C-N 3.26Å; E296-A298 PolarHBondContact O-N 3.08Å; A298-M300 VanDerWaalsContact C-N 3.28Å; A298-M300 PolarHBondContact O-N 3.37Å; A298-L301 PolarHBondContact O-N 2.92Å; A298-L301 VanDerWaalsContact O-N 3.16Å; A298-F302 HydrophobicContact CB-CD2 4.13Å; A298-F302 HydrophobicContact CB-CE2 4.47Å; A298-F302 WeakPolarHBondContact O-CB 3.29Å; A298-F302 WeakPolarHBondContact O-CD2 3.37Å; A298-F302 PolarHBondContact O-N 3.04Å; A298-I309 HydrophobicContact CB-CB 4Å; A298-I309 HydrophobicContact CB-CG1 3.71Å; A298-I309 HydrophobicContact CB-CG2 3.7Å; A298-K313 HydrophobicContact CB-CB 3.65Å; A298-K313 HydrophobicContact CB-CG 3.72Å
299L92.4Very high91.5Very high23 Ų2361 Ų6112%0.1230%0.301CS..Hα-helixtrans-63.1-35177.4-161.584.2000111.5F295 E296 G303 I309 Y326 W329 F338F295-L299 HydrophobicContact CE1-CD1 4.26Å; F295-L299 HydrophobicContact CZ-CD1 4.15Å; F295-L299 WeakPolarHBondContact O-CB 3.19Å; F295-L299 PolarHBondContact O-N 3.19Å; E296-L299 PolarHBondContact O-N 3.48Å; L299-G303 WeakPolarHBondContact CA-O 3.16Å; L299-G303 VanDerWaalsContact CD1-O 3.31Å; L299-G303 WeakPolarHBondContact CD1-O 3.17Å; L299-G303 VanDerWaalsContact O-CA 3.28Å; L299-G303 WeakPolarHBondContact O-CA 3.33Å; L299-G303 PolarHBondContact O-N 3Å; L299-G303 VanDerWaalsContact O-N 3.12Å; L299-I309 HydrophobicContact CD1-CD1 3.97Å; L299-Y326 HydrophobicContact CD1-CD2 4.12Å; L299-Y326 HydrophobicContact CD1-CE2 4.17Å; L299-Y326 HydrophobicContact CD2-CE2 4.28Å; L299-W329 HydrophobicContact CD2-CH2 3.48Å; L299-W329 VanDerWaalsContact CD2-CH2 3.48Å; L299-W329 HydrophobicContact CD2-CZ3 3.48Å; L299-W329 VanDerWaalsContact CD2-CZ3 3.48Å; L299-F338 HydrophobicContact CD2-CE1 4.17Å; L299-F338 HydrophobicContact CD2-CZ 4.18Å
300M89.7Confident91.7Very high120 Ų12058.5 Ų58.559%0.59129%0.29SS*.Hα-helixtrans-67.3-40.2172-65.4178.883.800113.1E296 A298 F338 T342E296-M300 WeakPolarHBondContact O-CG 3.18Å; E296-M300 PolarHBondContact O-N 2.72Å; E296-M300 VanDerWaalsContact O-N 3.09Å; A298-M300 VanDerWaalsContact C-N 3.28Å; A298-M300 PolarHBondContact O-N 3.37Å; M300-F338 HydrophobicContact CG-CE2 3.62Å; M300-F338 HydrophobicContact CG-CZ 3.56Å; M300-F338 HydrophobicContact SD-CE2 3.9Å; M300-F338 HydrophobicContact SD-CZ 4.37Å; M300-T342 HydrophobicContact CE-CG2 4.38Å
301L90.4Very high91.9Very high104 Ų10460.1 Ų60.155%0.54530%0.295SS..Hα-helixtrans-82.2-34.8-176.6-75-176000114.2H297 A298H297-L301 WeakPolarHBondContact O-CG 3.47Å; H297-L301 PolarHBondContact O-N 3.35Å; A298-L301 PolarHBondContact O-N 2.92Å; A298-L301 VanDerWaalsContact O-N 3.16Å
302F89.3Confident91.8Very high56 Ų5661.9 Ų61.925%0.24631%0.305CS..Hα-helixtrans-119.26.2-167.7-52-50.9000112.8A298 K304 D305 L308 I309 N312 K313A298-F302 HydrophobicContact CB-CD2 4.13Å; A298-F302 HydrophobicContact CB-CE2 4.47Å; A298-F302 WeakPolarHBondContact O-CB 3.29Å; A298-F302 WeakPolarHBondContact O-CD2 3.37Å; A298-F302 PolarHBondContact O-N 3.04Å; F302-K304 PolarHBondContact O-N 2.69Å; F302-D305 PolarHBondContact O-N 3.38Å; F302-L308 HydrophobicContact CB-CB 4.34Å; F302-L308 HydrophobicContact CB-CD2 4.03Å; F302-L308 HydrophobicContact CB-CG 4.27Å; F302-L308 HydrophobicContact CD1-CD2 3.41Å; F302-L308 VanDerWaalsContact CD1-CD2 3.41Å; F302-L308 HydrophobicContact CD1-CG 3.79Å; F302-L308 HydrophobicContact CD2-CG 4.23Å; F302-L308 HydrophobicContact CE1-CD2 4.02Å; F302-L308 HydrophobicContact CE1-CG 4.17Å; F302-L308 HydrophobicContact CG-CB 4.34Å; F302-L308 HydrophobicContact CG-CD2 3.78Å; F302-L308 HydrophobicContact CG-CG 3.83Å; F302-I309 HydrophobicContact CB-CG1 4.31Å; F302-I309 HydrophobicContact CD2-CG1 4.36Å; F302-N312 HydrophobicContact CE2-CB 3.74Å; F302-N312 HydrophobicContact CZ-CB 4Å; F302-N312 WeakPolarHBondContact CZ-ND2 3.2Å; F302-K313 HydrophobicContact CE2-CG 4.27Å
303G89.6Confident91.7Very high37 Ų3765 Ų6538%0.38132%0.317SS..THydrogen-bonded Turntrans59.9-126.9-175.800000111.1L299L299-G303 WeakPolarHBondContact CA-O 3.16Å; L299-G303 VanDerWaalsContact CD1-O 3.31Å; L299-G303 WeakPolarHBondContact CD1-O 3.17Å; L299-G303 VanDerWaalsContact O-CA 3.28Å; L299-G303 WeakPolarHBondContact O-CA 3.33Å; L299-G303 PolarHBondContact O-N 3Å; L299-G303 VanDerWaalsContact O-N 3.12Å
304K92.8Very high91.5Very high137 Ų13759.7 Ų59.760%0.59630%0.297SS*.THydrogen-bonded Turntrans-104.122.3179.7-53.8-168.3-169.7-169.90113.7F302 F306 Y326F302-K304 PolarHBondContact O-N 2.69Å; K304-F306 HydrophobicContact CB-CE2 4.23Å; K304-F306 HydrophobicContact CB-CZ 4.29Å; K304-F306 WeakPolarHBondContact O-CD2 3.32Å; K304-F306 WeakPolarHBondContact O-CE2 3.34Å; K304-F306 PolarHBondContact O-N 2.69Å; K304-Y326 WeakPolarHBondContact CE-OH 3.19Å; K304-Y326 PolarHBondContact NZ-OH 3.31Å
305D93.1Very high91.3Very high70 Ų7066.2 Ų66.237%0.37432%0.315SS..  trans-77.189.6170.3-173.1-11.8000110.3F302 H307 L308 I309F302-D305 PolarHBondContact O-N 3.38Å; D305-H307 PolarHBondContact O-N 3.03Å; D305-H307 WeakPolarHBondContact OD1-CB 3.13Å; D305-H307 IonicContact OD1-CG 2.68Å; D305-H307 PolarHBondContact OD1-N 2.9Å; D305-H307 IonicContact OD1-ND1 2.75Å; D305-L308 HydrophobicContact CB-CB 3.95Å; D305-L308 VanDerWaalsContact CG-CB 3.5Å; D305-L308 PolarHBondContact O-N 3.43Å; D305-L308 VanDerWaalsContact O-N 3.15Å; D305-L308 PolarHBondContact OD1-N 3.05Å; D305-L308 WeakPolarHBondContact OD2-CB 3.47Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.34Å; D305-I309 PolarHBondContact O-N 3.29Å
306F93.7Very high91.1Very high32 Ų3271.3 Ų71.314%0.1435%0.347CS..Hα-helixtrans-63-24.9178.9-59.4-69.9000113.5F295 K304 I309 Q310 V319 C322 V323 Y326F295-F306 HydrophobicContact CE2-CD1 4.41Å; F295-F306 HydrophobicContact CE2-CE1 4.4Å; F295-F306 HydrophobicContact CZ-CE1 4.21Å; K304-F306 HydrophobicContact CB-CE2 4.23Å; K304-F306 HydrophobicContact CB-CZ 4.29Å; K304-F306 WeakPolarHBondContact O-CD2 3.32Å; K304-F306 WeakPolarHBondContact O-CE2 3.34Å; K304-F306 PolarHBondContact O-N 2.69Å; F306-I309 HydrophobicContact CD1-CD1 4.06Å; F306-I309 HydrophobicContact CE1-CD1 4.45Å; F306-Q310 WeakPolarHBondContact O-CB 3.08Å; F306-Q310 PolarHBondContact O-N 2.99Å; F306-V319 HydrophobicContact CB-CG1 3.86Å; F306-C322 HydrophobicContact CD1-CB 4.43Å; F306-V323 HydrophobicContact CB-CG2 4.01Å; F306-V323 HydrophobicContact CD1-CG2 4.24Å; F306-V323 HydrophobicContact CD2-CG2 3.59Å; F306-V323 HydrophobicContact CE2-CG2 4.09Å; F306-V323 HydrophobicContact CG-CG2 3.66Å; F306-Y326 HydrophobicContact CE1-CD1 4.39Å; F306-Y326 HydrophobicContact CE1-CD2 4.19Å; F306-Y326 AromaticContact CE1-CG 3.82Å; F306-Y326 HydrophobicContact CE1-CG 3.82Å; F306-Y326 AromaticContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD2 4.22Å; F306-Y326 HydrophobicContact CZ-CE1 4.4Å; F306-Y326 AromaticContact CZ-CG 3.69Å; F306-Y326 HydrophobicContact CZ-CG 3.69Å
307H93.5Very high90.9Very high128 Ų12870.9 Ų70.959%0.59334%0.344SS*.Hα-helixtrans-70.9-43.1173.9-56.193000110.5D305 K311D305-H307 PolarHBondContact O-N 3.03Å; D305-H307 WeakPolarHBondContact OD1-CB 3.13Å; D305-H307 IonicContact OD1-CG 2.68Å; D305-H307 PolarHBondContact OD1-N 2.9Å; D305-H307 IonicContact OD1-ND1 2.75Å; H307-K311 WeakPolarHBondContact O-CB 3.36Å; H307-K311 PolarHBondContact O-N 3.29Å
308L93.5Very high91Very high61 Ų6169.8 Ų69.832%0.31934%0.344SS..Hα-helixtrans-72-36.1179.2-163.960000112.1F302 D305 N312F302-L308 HydrophobicContact CB-CB 4.34Å; F302-L308 HydrophobicContact CB-CD2 4.03Å; F302-L308 HydrophobicContact CB-CG 4.27Å; F302-L308 HydrophobicContact CD1-CD2 3.41Å; F302-L308 VanDerWaalsContact CD1-CD2 3.41Å; F302-L308 HydrophobicContact CD1-CG 3.79Å; F302-L308 HydrophobicContact CD2-CG 4.23Å; F302-L308 HydrophobicContact CE1-CD2 4.02Å; F302-L308 HydrophobicContact CE1-CG 4.17Å; F302-L308 HydrophobicContact CG-CB 4.34Å; F302-L308 HydrophobicContact CG-CD2 3.78Å; F302-L308 HydrophobicContact CG-CG 3.83Å; D305-L308 HydrophobicContact CB-CB 3.95Å; D305-L308 VanDerWaalsContact CG-CB 3.5Å; D305-L308 PolarHBondContact O-N 3.43Å; D305-L308 VanDerWaalsContact O-N 3.15Å; D305-L308 PolarHBondContact OD1-N 3.05Å; D305-L308 WeakPolarHBondContact OD2-CB 3.47Å; L308-N312 WeakPolarHBondContact CD1-ND2 3.25Å; L308-N312 VanDerWaalsContact O-CB 3.23Å; L308-N312 WeakPolarHBondContact O-CB 3.38Å; L308-N312 PolarHBondContact O-N 3.2Å; L308-N312 PolarHBondContact O-ND2 3.14Å
309I93.3Very high91.1Very high0 Ų071.7 Ų71.70%036%0.355CS..Hα-helixtrans-57.7-54.2170.4-70.4166.5000110.8F295 A298 L299 F302 D305 F306 N312 K313 V314F295-I309 HydrophobicContact CD2-CG2 3.81Å; F295-I309 HydrophobicContact CE2-CG2 4.13Å; A298-I309 HydrophobicContact CB-CB 4Å; A298-I309 HydrophobicContact CB-CG1 3.71Å; A298-I309 HydrophobicContact CB-CG2 3.7Å; L299-I309 HydrophobicContact CD1-CD1 3.97Å; F302-I309 HydrophobicContact CB-CG1 4.31Å; F302-I309 HydrophobicContact CD2-CG1 4.36Å; D305-I309 VanDerWaalsContact O-CG1 3.27Å; D305-I309 WeakPolarHBondContact O-CG1 3.34Å; D305-I309 PolarHBondContact O-N 3.29Å; F306-I309 HydrophobicContact CD1-CD1 4.06Å; F306-I309 HydrophobicContact CE1-CD1 4.45Å; I309-N312 PolarHBondContact O-N 3.44Å; I309-K313 PolarHBondContact O-N 3.24Å; I309-V314 HydrophobicContact CG2-CG2 3.98Å; I309-V314 PolarHBondContact O-N 3.46Å; I309-V314 VanDerWaalsContact O-N 3.14Å
310Q93.9Very high91.1Very high52 Ų5274 Ų7424%0.24338%0.378CS..Hα-helixtrans-61.4-49.1-179.2-172.7-86.9-6.600111.1F306 N312 V314 R315 R317 V319F306-Q310 WeakPolarHBondContact O-CB 3.08Å; F306-Q310 PolarHBondContact O-N 2.99Å; Q310-N312 VanDerWaalsContact C-N 3.31Å; Q310-N312 PolarHBondContact O-N 2.9Å; Q310-V314 CarbonylContact O-C 3.4Å; Q310-V314 VanDerWaalsContact O-C 3.27Å; Q310-V314 PolarHBondContact O-N 2.8Å; Q310-R315 WeakPolarHBondContact O-CA 3.44Å; Q310-R315 WeakPolarHBondContact O-CG 3.13Å; Q310-R315 PolarHBondContact O-N 3.5Å; Q310-R317 WeakPolarHBondContact CG-O 3.03Å; Q310-R317 PolarHBondContact NE2-O 3.05Å; Q310-V319 HydrophobicContact CB-CG2 4.07Å; Q310-V319 HydrophobicContact CG-CG2 4.06Å
311K91.8Very high91.2Very high138 Ų13870.3 Ų70.360%0.636%0.36SS*.Hα-helixtrans-64.2-29.1-178.5-174.6175-178.8178.10114.2H307 R315H307-K311 WeakPolarHBondContact O-CB 3.36Å; H307-K311 PolarHBondContact O-N 3.29Å; K311-R315 VanDerWaalsContact O-CZ 3.31Å; K311-R315 PolarHBondContact O-NE 3.34Å; K311-R315 PolarHBondContact O-NH2 2.86Å
312N89.9Confident91.3Very high57 Ų5765.4 Ų65.431%0.30533%0.334SS..Hα-helixtrans-106.1-31.1-173.9-68.8-20.6000115F302 L308 I309 Q310F302-N312 HydrophobicContact CE2-CB 3.74Å; F302-N312 HydrophobicContact CZ-CB 4Å; F302-N312 WeakPolarHBondContact CZ-ND2 3.2Å; L308-N312 WeakPolarHBondContact CD1-ND2 3.25Å; L308-N312 VanDerWaalsContact O-CB 3.23Å; L308-N312 WeakPolarHBondContact O-CB 3.38Å; L308-N312 PolarHBondContact O-N 3.2Å; L308-N312 PolarHBondContact O-ND2 3.14Å; I309-N312 PolarHBondContact O-N 3.44Å; Q310-N312 VanDerWaalsContact C-N 3.31Å; Q310-N312 PolarHBondContact O-N 2.9Å
313K87.2Confident91.5Very high80 Ų8065.1 Ų65.135%0.34834%0.336SS..THydrogen-bonded Turntrans-133.4-29.2-166.4-70.1-74.9-173.5164.10114.3S294 A298 F302 I309S294-K313 WeakPolarHBondContact CB-O 3.23Å; A298-K313 HydrophobicContact CB-CB 3.65Å; A298-K313 HydrophobicContact CB-CG 3.72Å; F302-K313 HydrophobicContact CE2-CG 4.27Å; I309-K313 PolarHBondContact O-N 3.24Å
314V87.8Confident91.6Very high1 Ų165.7 Ų65.71%0.00634%0.337CS..  trans-12555.3-177.1-159.10000111.2W287 F295 I309 Q310 T316 R317W287-V314 HydrophobicContact CH2-CG1 3.85Å; W287-V314 HydrophobicContact CZ3-CG1 3.8Å; F295-V314 HydrophobicContact CB-CG2 3.97Å; F295-V314 HydrophobicContact CD2-CG2 4.37Å; I309-V314 HydrophobicContact CG2-CG2 3.98Å; I309-V314 PolarHBondContact O-N 3.46Å; I309-V314 VanDerWaalsContact O-N 3.14Å; Q310-V314 CarbonylContact O-C 3.4Å; Q310-V314 VanDerWaalsContact O-C 3.27Å; Q310-V314 PolarHBondContact O-N 2.8Å; V314-T316 PolarHBondContact O-N 3.34Å; V314-R317 HydrophobicContact CG1-CB 3.87Å; V314-R317 HydrophobicContact CG1-CG 3.55Å; V314-R317 PolarHBondContact O-N 2.76Å
315R87.5Confident91.5Very high179 Ų17960.3 Ų60.368%0.67531%0.314SS*.THydrogen-bonded Turntrans-69.2-15.7-174.4-67.5179.3178140.47.7114.7Q310 K311 R317Q310-R315 WeakPolarHBondContact O-CA 3.44Å; Q310-R315 WeakPolarHBondContact O-CG 3.13Å; Q310-R315 PolarHBondContact O-N 3.5Å; K311-R315 VanDerWaalsContact O-CZ 3.31Å; K311-R315 PolarHBondContact O-NE 3.34Å; K311-R315 PolarHBondContact O-NH2 2.86Å; R315-R317 PolarHBondContact O-N 2.88Å
316T87.7Confident91.5Very high107 Ų10757.8 Ų57.866%0.65630%0.299SS*.THydrogen-bonded Turntrans-72.9-13.6174.639.50000113.1E291 V314E291-T316 WeakPolarHBondContact OE1-CB 3.38Å; E291-T316 PolarHBondContact OE1-OG1 2.84Å; V314-T316 PolarHBondContact O-N 3.34Å
317R89.7Confident91.4Very high12 Ų1263.5 Ų63.55%0.04532%0.321CS..SBendtrans-118.8158.1-172.9-58-65.1175.71603.1111.6T285 W287 E291 Q310 V314 R315 E321T285-R317 PolarHBondContact O-NH1 3.31Å; T285-R317 PolarHBondContact O-NH2 2.8Å; T285-R317 PolarHBondContact OG1-NH1 2.96Å; T285-R317 PolarHBondContact OG1-NH2 2.85Å; W287-R317 HydrophobicContact CH2-CB 4.47Å; W287-R317 HydrophobicContact CH2-CG 4.03Å; W287-R317 HydrophobicContact CZ2-CB 4.33Å; W287-R317 HydrophobicContact CZ2-CG 3.83Å; E291-R317 IonicContact OE1-CZ 2.69Å; E291-R317 IonicContact OE1-NE 3.82Å; E291-R317 PolarHBondContact OE1-NE 3Å; E291-R317 IonicContact OE1-NH2 3.76Å; E291-R317 IonicContact OE2-CZ 3.13Å; E291-R317 IonicContact OE2-NE 2.69Å; E291-R317 PolarHBondContact OE2-NE 3.31Å; E291-R317 IonicContact OE2-NH2 3.83Å; E291-R317 PolarHBondContact OE2-NH2 2.98Å; Q310-R317 WeakPolarHBondContact CG-O 3.03Å; Q310-R317 PolarHBondContact NE2-O 3.05Å; V314-R317 HydrophobicContact CG1-CB 3.87Å; V314-R317 HydrophobicContact CG1-CG 3.55Å; V314-R317 PolarHBondContact O-N 2.76Å; R315-R317 PolarHBondContact O-N 2.88Å; R317-E321 HydrophobicContact CB-CB 4.21Å; R317-E321 WeakPolarHBondContact CD-OE1 3.48Å; R317-E321 IonicContact CZ-OE1 3.37Å; R317-E321 IonicContact NE-OE1 3.52Å; R317-E321 IonicContact NH1-OE1 2.7Å; R317-E321 PolarHBondContact NH1-OE1 3.06Å
318T92.5Very high91Very high72 Ų7264 Ų6444%0.44233%0.325SS..  trans-79.9162.3167.861.30000111.3A320 E321 C322T318-A320 PolarHBondContact O-N 3.3Å; T318-E321 WeakPolarHBondContact CB-OE2 3.45Å; T318-E321 WeakPolarHBondContact CG2-OE2 3.35Å; T318-E321 PolarHBondContact N-OE2 3.48Å; T318-E321 PolarHBondContact O-N 3.44Å; T318-E321 WeakPolarHBondContact OG1-CB 3.41Å; T318-E321 VanDerWaalsContact OG1-CG 3.28Å; T318-E321 WeakPolarHBondContact OG1-CG 3.35Å; T318-E321 PolarHBondContact OG1-N 2.83Å; T318-E321 VanDerWaalsContact OG1-N 3.13Å; T318-E321 PolarHBondContact OG1-OE2 3.09Å; T318-C322 PolarHBondContact O-N 2.83Å; T318-C322 PolarHBondContact O-SG 3.12Å; T318-C322 VanDerWaalsContact O-SG 3.37Å
319V94.1Very high90.8Very high39 Ų3961.4 Ų61.424%0.23631%0.312CS..Hα-helixtrans-63.4-34.9174.1-177.40000110.9F306 Q310 C322 V323F306-V319 HydrophobicContact CB-CG1 3.86Å; Q310-V319 HydrophobicContact CB-CG2 4.07Å; Q310-V319 HydrophobicContact CG-CG2 4.06Å; V319-C322 PolarHBondContact O-N 2.81Å; V319-V323 WeakPolarHBondContact O-CG2 3.39Å; V319-V323 PolarHBondContact O-N 3.16Å
320A93.1Very high90.6Very high73 Ų7366.1 Ų66.160%0.60333%0.332SS*.Hα-helixtrans-62.2-47.5175.100000112T318 C322 V323 A324T318-A320 PolarHBondContact O-N 3.3Å; A320-C322 VanDerWaalsContact C-N 3.32Å; A320-C322 PolarHBondContact O-N 3.42Å; A320-V323 PolarHBondContact O-N 2.82Å; A320-A324 WeakPolarHBondContact O-CB 3.24Å; A320-A324 PolarHBondContact O-N 3.23Å
321E91.3Very high90.2Very high42 Ų4272.4 Ų72.420%0.19636%0.358CS..Hα-helixtrans-59.8-40.4173.2-74.2167.892.500112.2M284 W287 R317 T318 V323 A324 F325M284-E321 HydrophobicContact CE-CB 4.21Å; M284-E321 HydrophobicContact CE-CG 4.17Å; M284-E321 HydrophobicContact SD-CB 4.45Å; M284-E321 HydrophobicContact SD-CG 3.82Å; W287-E321 HydrophobicContact CZ2-CB 4.31Å; R317-E321 HydrophobicContact CB-CB 4.21Å; R317-E321 WeakPolarHBondContact CD-OE1 3.48Å; R317-E321 IonicContact CZ-OE1 3.37Å; R317-E321 IonicContact NE-OE1 3.52Å; R317-E321 IonicContact NH1-OE1 2.7Å; R317-E321 PolarHBondContact NH1-OE1 3.06Å; T318-E321 WeakPolarHBondContact CB-OE2 3.45Å; T318-E321 WeakPolarHBondContact CG2-OE2 3.35Å; T318-E321 PolarHBondContact N-OE2 3.48Å; T318-E321 PolarHBondContact O-N 3.44Å; T318-E321 WeakPolarHBondContact OG1-CB 3.41Å; T318-E321 VanDerWaalsContact OG1-CG 3.28Å; T318-E321 WeakPolarHBondContact OG1-CG 3.35Å; T318-E321 PolarHBondContact OG1-N 2.83Å; T318-E321 VanDerWaalsContact OG1-N 3.13Å; T318-E321 PolarHBondContact OG1-OE2 3.09Å; E321-V323 VanDerWaalsContact C-N 3.33Å; E321-V323 PolarHBondContact O-N 3.24Å; E321-A324 PolarHBondContact O-N 3.48Å; E321-F325 WeakPolarHBondContact O-CB 3.27Å; E321-F325 PolarHBondContact O-N 3.33Å
322C92.6Very high89.7Confident0 Ų067.9 Ų67.90%034%0.344CS..Hα-helixtrans-63.8-35.8176.2-68.40000112.9F295 F306 T318 V319 A320 Y326F295-C322 HydrophobicContact CE2-CB 4.29Å; F306-C322 HydrophobicContact CD1-CB 4.43Å; T318-C322 PolarHBondContact O-N 2.83Å; T318-C322 PolarHBondContact O-SG 3.12Å; T318-C322 VanDerWaalsContact O-SG 3.37Å; V319-C322 PolarHBondContact O-N 2.81Å; A320-C322 VanDerWaalsContact C-N 3.32Å; A320-C322 PolarHBondContact O-N 3.42Å; C322-Y326 WeakPolarHBondContact O-CB 3.49Å; C322-Y326 PolarHBondContact O-N 2.86Å
323V94.1Very high89.3Confident50 Ų5071.1 Ų71.130%0.30336%0.358SS..Hα-helixtrans-72.3-44.7175.11730000111.1F306 V319 A320 E321 Y326 Y327F306-V323 HydrophobicContact CB-CG2 4.01Å; F306-V323 HydrophobicContact CD1-CG2 4.24Å; F306-V323 HydrophobicContact CD2-CG2 3.59Å; F306-V323 HydrophobicContact CE2-CG2 4.09Å; F306-V323 HydrophobicContact CG-CG2 3.66Å; V319-V323 WeakPolarHBondContact O-CG2 3.39Å; V319-V323 PolarHBondContact O-N 3.16Å; A320-V323 PolarHBondContact O-N 2.82Å; E321-V323 VanDerWaalsContact C-N 3.33Å; E321-V323 PolarHBondContact O-N 3.24Å; V323-Y326 WeakPolarHBondContact O-CB 3.26Å; V323-Y326 PolarHBondContact O-N 2.76Å; V323-Y327 HydrophobicContact CG1-CD2 4.16Å; V323-Y327 HydrophobicContact CG1-CE2 3.98Å; V323-Y327 VanDerWaalsContact O-CD2 3.3Å; V323-Y327 WeakPolarHBondContact O-CD2 3.32Å; V323-Y327 PolarHBondContact O-N 2.89Å
324A91.2Very high89.1Confident49 Ų4971.1 Ų71.141%0.40536%0.356SS..Hα-helixtrans-60.6-46.9175.700000111.2A320 E321 Y326 Y327 M328A320-A324 WeakPolarHBondContact O-CB 3.24Å; A320-A324 PolarHBondContact O-N 3.23Å; E321-A324 PolarHBondContact O-N 3.48Å; A324-Y326 VanDerWaalsContact C-N 3.35Å; A324-Y326 PolarHBondContact O-N 2.73Å; A324-Y327 PolarHBondContact O-N 2.81Å; A324-M328 WeakPolarHBondContact O-CG 3.5Å; A324-M328 PolarHBondContact O-N 2.99Å
325F90.7Very high89Confident25 Ų2574 Ų7411%0.1137%0.367CS..Hα-helixtrans-59.5-42.6174.9-178.6-100000111.8W287 C292 F295 E321 Y327 M328 W329W287-F325 HydrophobicContact CB-CD2 4.33Å; W287-F325 HydrophobicContact CB-CE2 4Å; W287-F325 AromaticContact CD1-CD2 3.94Å; W287-F325 HydrophobicContact CD2-CB 4.25Å; W287-F325 HydrophobicContact CD2-CD1 4.24Å; W287-F325 AromaticContact CD2-CD2 3.4Å; W287-F325 HydrophobicContact CD2-CD2 3.4Å; W287-F325 VanDerWaalsContact CD2-CD2 3.4Å; W287-F325 AromaticContact CD2-CE2 3.73Å; W287-F325 HydrophobicContact CD2-CE2 3.73Å; W287-F325 AromaticContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CG 3.69Å; W287-F325 HydrophobicContact CD2-CZ 4.28Å; W287-F325 AromaticContact CE2-CD2 3.63Å; W287-F325 AromaticContact CE2-CG 3.62Å; W287-F325 AromaticContact CE3-CD1 3.86Å; W287-F325 HydrophobicContact CE3-CD1 3.86Å; W287-F325 AromaticContact CE3-CD2 3.8Å; W287-F325 HydrophobicContact CE3-CD2 3.8Å; W287-F325 AromaticContact CE3-CE1 3.92Å; W287-F325 HydrophobicContact CE3-CE1 3.92Å; W287-F325 AromaticContact CE3-CE2 3.86Å; W287-F325 HydrophobicContact CE3-CE2 3.86Å; W287-F325 AromaticContact CE3-CG 3.81Å; W287-F325 HydrophobicContact CE3-CG 3.81Å; W287-F325 AromaticContact CE3-CZ 3.92Å; W287-F325 HydrophobicContact CE3-CZ 3.92Å; W287-F325 AromaticContact CG-CD2 3.64Å; W287-F325 HydrophobicContact CG-CD2 3.64Å; W287-F325 AromaticContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CE2 3.79Å; W287-F325 HydrophobicContact CG-CG 4.39Å; W287-F325 HydrophobicContact CH2-CB 3.82Å; W287-F325 AromaticContact CH2-CD1 3.85Å; W287-F325 HydrophobicContact CH2-CD1 3.85Å; W287-F325 AromaticContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CH2-CG 3.8Å; W287-F325 HydrophobicContact CZ2-CB 3.41Å; W287-F325 VanDerWaalsContact CZ2-CB 3.41Å; W287-F325 HydrophobicContact CZ2-CD1 4.23Å; W287-F325 HydrophobicContact CZ2-CD2 4.2Å; W287-F325 AromaticContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ2-CG 3.69Å; W287-F325 HydrophobicContact CZ3-CB 4.4Å; W287-F325 AromaticContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD1 3.66Å; W287-F325 HydrophobicContact CZ3-CD2 4.34Å; W287-F325 AromaticContact CZ3-CE1 3.98Å; W287-F325 HydrophobicContact CZ3-CE1 3.98Å; W287-F325 AromaticContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CG 3.87Å; W287-F325 HydrophobicContact CZ3-CZ 4.45Å; W287-F325 AromaticContact NE1-CD2 3.93Å; C292-F325 HydrophobicContact CB-CZ 4.35Å; C292-F325 VanDerWaalsContact SG-CZ 3.56Å; F295-F325 HydrophobicContact CB-CE1 4.28Å; F295-F325 AromaticContact CD1-CD1 3.87Å; F295-F325 HydrophobicContact CD1-CD1 3.87Å; F295-F325 AromaticContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD1-CE1 3.63Å; F295-F325 HydrophobicContact CD2-CD1 4.09Å; F295-F325 HydrophobicContact CD2-CE1 4.5Å; F295-F325 AromaticContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CD1 4Å; F295-F325 HydrophobicContact CE1-CE1 4.07Å; F295-F325 HydrophobicContact CE2-CD1 4.21Å; F295-F325 AromaticContact CG-CD1 3.94Å; F295-F325 HydrophobicContact CG-CD1 3.94Å; F295-F325 AromaticContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CG-CE1 3.88Å; F295-F325 HydrophobicContact CZ-CD1 4.17Å; E321-F325 WeakPolarHBondContact O-CB 3.27Å; E321-F325 PolarHBondContact O-N 3.33Å; F325-Y327 VanDerWaalsContact C-N 3.33Å; F325-Y327 PolarHBondContact O-N 3.05Å; F325-M328 PolarHBondContact O-N 3.1Å; F325-W329 HydrophobicContact CD1-CB 4.17Å; F325-W329 HydrophobicContact CE1-CB 3.8Å; F325-W329 AromaticContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE2-CB 4.34Å; F325-W329 HydrophobicContact CZ-CB 3.89Å; F325-W329 AromaticContact CZ-CD1 3.96Å; F325-W329 HydrophobicContact CZ-CG 4.12Å; F325-W329 WeakPolarHBondContact O-CB 3.2Å; F325-W329 PolarHBondContact O-N 2.86Å
326Y91.9Very high88.8Confident16 Ų1669 Ų696%0.06335%0.354CS..Hα-helixtrans-53-48.2176.4176.2-109.6000112.7F295 L299 K304 F306 C322 V323 A324 W329 K330F295-Y326 HydrophobicContact CE1-CD2 4.38Å; F295-Y326 HydrophobicContact CZ-CD2 4.09Å; F295-Y326 HydrophobicContact CZ-CG 4.49Å; L299-Y326 HydrophobicContact CD1-CD2 4.12Å; L299-Y326 HydrophobicContact CD1-CE2 4.17Å; L299-Y326 HydrophobicContact CD2-CE2 4.28Å; K304-Y326 WeakPolarHBondContact CE-OH 3.19Å; K304-Y326 PolarHBondContact NZ-OH 3.31Å; F306-Y326 HydrophobicContact CE1-CD1 4.39Å; F306-Y326 HydrophobicContact CE1-CD2 4.19Å; F306-Y326 AromaticContact CE1-CG 3.82Å; F306-Y326 HydrophobicContact CE1-CG 3.82Å; F306-Y326 AromaticContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD1 3.8Å; F306-Y326 HydrophobicContact CZ-CD2 4.22Å; F306-Y326 HydrophobicContact CZ-CE1 4.4Å; F306-Y326 AromaticContact CZ-CG 3.69Å; F306-Y326 HydrophobicContact CZ-CG 3.69Å; C322-Y326 WeakPolarHBondContact O-CB 3.49Å; C322-Y326 PolarHBondContact O-N 2.86Å; V323-Y326 WeakPolarHBondContact O-CB 3.26Å; V323-Y326 PolarHBondContact O-N 2.76Å; A324-Y326 VanDerWaalsContact C-N 3.35Å; A324-Y326 PolarHBondContact O-N 2.73Å; Y326-W329 HydrophobicContact CD2-CE3 4.19Å; Y326-W329 HydrophobicContact CD2-CZ3 4.19Å; Y326-W329 HydrophobicContact CE2-CE3 4.48Å; Y326-W329 HydrophobicContact CE2-CZ3 4.13Å; Y326-K330 WeakPolarHBondContact O-CB 3.08Å; Y326-K330 PolarHBondContact O-N 3.32Å
327Y91.4Very high88.6Confident153 Ų15370.7 Ų70.760%0.635%0.349SS*.Hα-helixtrans-71.9-29.2-178.2-76.4-73.9000113.5V323 A324 F325V323-Y327 HydrophobicContact CG1-CD2 4.16Å; V323-Y327 HydrophobicContact CG1-CE2 3.98Å; V323-Y327 VanDerWaalsContact O-CD2 3.3Å; V323-Y327 WeakPolarHBondContact O-CD2 3.32Å; V323-Y327 PolarHBondContact O-N 2.89Å; A324-Y327 PolarHBondContact O-N 2.81Å; F325-Y327 VanDerWaalsContact C-N 3.33Å; F325-Y327 PolarHBondContact O-N 3.05Å
328M86.8Confident88.4Confident137 Ų13771.3 Ų71.368%0.67535%0.352SS*.Hα-helixtrans-76.7-48.9174.2-66.8-59.4-69.600112.1A324 F325 K330 K331A324-M328 WeakPolarHBondContact O-CG 3.5Å; A324-M328 PolarHBondContact O-N 2.99Å; F325-M328 PolarHBondContact O-N 3.1Å; M328-K330 VanDerWaalsContact C-N 3.28Å; M328-K330 PolarHBondContact O-N 2.74Å; M328-K331 PolarHBondContact O-N 3.5Å
329W88.9Confident88Confident8 Ų868.6 Ų68.63%0.0334%0.337CS..Hα-helixtrans-58.3-39.2176.6169.284.7000111.7F295 E296 L299 F325 Y326 K331 S332 Y335 F338F295-W329 HydrophobicContact CE1-CD2 4.41Å; F295-W329 HydrophobicContact CE1-CE3 4.12Å; F295-W329 HydrophobicContact CE1-CZ3 4.35Å; E296-W329 HydrophobicContact CG-CZ2 3.71Å; E296-W329 PolarHBondContact OE1-NE1 3.24Å; L299-W329 HydrophobicContact CD2-CH2 3.48Å; L299-W329 VanDerWaalsContact CD2-CH2 3.48Å; L299-W329 HydrophobicContact CD2-CZ3 3.48Å; L299-W329 VanDerWaalsContact CD2-CZ3 3.48Å; F325-W329 HydrophobicContact CD1-CB 4.17Å; F325-W329 HydrophobicContact CE1-CB 3.8Å; F325-W329 AromaticContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE1-CG 3.96Å; F325-W329 HydrophobicContact CE2-CB 4.34Å; F325-W329 HydrophobicContact CZ-CB 3.89Å; F325-W329 AromaticContact CZ-CD1 3.96Å; F325-W329 HydrophobicContact CZ-CG 4.12Å; F325-W329 WeakPolarHBondContact O-CB 3.2Å; F325-W329 PolarHBondContact O-N 2.86Å; Y326-W329 HydrophobicContact CD2-CE3 4.19Å; Y326-W329 HydrophobicContact CD2-CZ3 4.19Å; Y326-W329 HydrophobicContact CE2-CE3 4.48Å; Y326-W329 HydrophobicContact CE2-CZ3 4.13Å; W329-K331 PolarHBondContact O-N 3.29Å; W329-S332 WeakPolarHBondContact O-CB 3.25Å; W329-S332 PolarHBondContact O-N 2.92Å; W329-Y335 HydrophobicContact CE3-CD2 4.05Å; W329-Y335 AromaticContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CE2 4.41Å; W329-Y335 HydrophobicContact CZ2-CD2 4.2Å; W329-Y335 AromaticContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CE2 4.25Å; W329-Y335 WeakPolarHBondContact O-CB 3.49Å; W329-F338 HydrophobicContact CH2-CB 4.48Å; W329-F338 AromaticContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD2 4.42Å; W329-F338 AromaticContact CH2-CE1 3.76Å; W329-F338 HydrophobicContact CH2-CE1 3.76Å; W329-F338 AromaticContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CZ 4.28Å; W329-F338 HydrophobicContact CZ2-CB 3.85Å; W329-F338 AromaticContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD2 4.03Å; W329-F338 HydrophobicContact CZ2-CE1 4.3Å; W329-F338 AromaticContact CZ2-CG 3.6Å; W329-F338 HydrophobicContact CZ2-CG 3.6Å
330K88.1Confident87.4Confident98 Ų9873.1 Ų73.143%0.42636%0.355SS..THydrogen-bonded Turntrans-67.2-0.9175.5-159.8-135.4170.6-163.70114.6Y326 M328 Y335Y326-K330 WeakPolarHBondContact O-CB 3.08Å; Y326-K330 PolarHBondContact O-N 3.32Å; M328-K330 VanDerWaalsContact C-N 3.28Å; M328-K330 PolarHBondContact O-N 2.74Å; K330-Y335 HydrophobicContact CB-CD2 4.33Å; K330-Y335 HydrophobicContact CB-CG 4.4Å; K330-Y335 HydrophobicContact CG-CD1 4.16Å; K330-Y335 HydrophobicContact CG-CD2 3.87Å; K330-Y335 HydrophobicContact CG-CE1 4.04Å; K330-Y335 HydrophobicContact CG-CE2 3.72Å; K330-Y335 HydrophobicContact CG-CG 4.08Å
331K86.3Confident86.7Confident184 Ų18474 Ų7480%0.835%0.347SS*.THydrogen-bonded Turntrans-111.87.3169.5-66.2-177.1175.7-176.70113M328 W329M328-K331 PolarHBondContact O-N 3.5Å; W329-K331 PolarHBondContact O-N 3.29Å
332S81Confident85.8Confident44 Ų4475.3 Ų75.331%0.30836%0.358SS..SBendtrans-102146.9179.1178.60000110.8W329 R334 Y335 D336W329-S332 WeakPolarHBondContact O-CB 3.25Å; W329-S332 PolarHBondContact O-N 2.92Å; S332-R334 PolarHBondContact O-N 3.48Å; S332-R334 PolarHBondContact OG-N 3.12Å; S332-Y335 WeakPolarHBondContact O-CA 3.36Å; S332-Y335 WeakPolarHBondContact O-CB 3.5Å; S332-Y335 PolarHBondContact O-N 2.79Å; S332-D336 PolarHBondContact O-N 2.79Å
333E82.4Confident84.4Confident125 Ų12582.9 Ų82.958%0.58439%0.387SS*.Hα-helixtrans-46.9-29.3168.4-57173.1162.900112.6I243 Y335 D336 Y337I243-E333 HydrophobicContact CD1-CG 4.32Å; I243-E333 WeakPolarHBondContact CD1-OE1 3.4Å; E333-Y335 VanDerWaalsContact C-N 3.35Å; E333-Y335 PolarHBondContact O-N 2.75Å; E333-D336 PolarHBondContact O-N 3Å; E333-D336 VanDerWaalsContact O-N 3.12Å; E333-Y337 PolarHBondContact O-N 2.76Å
334R82.7Confident82.2Confident80 Ų8090.1 Ų90.130%0.30242%0.415SS..Hα-helixtrans-63.6-35.9175.8-170.1174176.5115.212.1112.9R293 E296 S332 F338R293-R334 VanDerWaalsContact CG-NH2 3.29Å; E296-R334 WeakPolarHBondContact OE1-CD 3.35Å; E296-R334 WeakPolarHBondContact OE1-CG 3.13Å; E296-R334 IonicContact OE1-CZ 3.37Å; E296-R334 IonicContact OE1-NE 2.7Å; E296-R334 PolarHBondContact OE1-NE 2.77Å; E296-R334 IonicContact OE1-NH2 3.34Å; E296-R334 IonicContact OE2-CZ 3.97Å; E296-R334 IonicContact OE2-NE 3.5Å; E296-R334 PolarHBondContact OE2-NE 3.2Å; E296-R334 IonicContact OE2-NH2 2.88Å; E296-R334 PolarHBondContact OE2-NH2 3.47Å; S332-R334 PolarHBondContact O-N 3.48Å; S332-R334 PolarHBondContact OG-N 3.12Å; R334-F338 VanDerWaalsContact O-CB 3.32Å; R334-F338 WeakPolarHBondContact O-CB 3.37Å; R334-F338 PolarHBondContact O-N 2.95Å
335Y85.1Confident80.3Confident61 Ų6190.3 Ų90.324%0.23942%0.421CS..Hα-helixtrans-68.2-37.2170.1164.2-95.8000111.5W329 K330 S332 E333 F338 A339W329-Y335 HydrophobicContact CE3-CD2 4.05Å; W329-Y335 AromaticContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CD2 3.65Å; W329-Y335 HydrophobicContact CH2-CE2 4.41Å; W329-Y335 HydrophobicContact CZ2-CD2 4.2Å; W329-Y335 AromaticContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CD2 3.56Å; W329-Y335 HydrophobicContact CZ3-CE2 4.25Å; W329-Y335 WeakPolarHBondContact O-CB 3.49Å; K330-Y335 HydrophobicContact CB-CD2 4.33Å; K330-Y335 HydrophobicContact CB-CG 4.4Å; K330-Y335 HydrophobicContact CG-CD1 4.16Å; K330-Y335 HydrophobicContact CG-CD2 3.87Å; K330-Y335 HydrophobicContact CG-CE1 4.04Å; K330-Y335 HydrophobicContact CG-CE2 3.72Å; K330-Y335 HydrophobicContact CG-CG 4.08Å; S332-Y335 WeakPolarHBondContact O-CA 3.36Å; S332-Y335 WeakPolarHBondContact O-CB 3.5Å; S332-Y335 PolarHBondContact O-N 2.79Å; E333-Y335 VanDerWaalsContact C-N 3.35Å; E333-Y335 PolarHBondContact O-N 2.75Å; Y335-F338 CarbonylContact O-C 3.6Å; Y335-F338 PolarHBondContact O-N 3.26Å; Y335-A339 HydrophobicContact CE1-CB 4.42Å; Y335-A339 WeakPolarHBondContact O-CB 3.16Å; Y335-A339 PolarHBondContact O-N 2.97Å
336D83.2Confident78.4Confident75 Ų7598.8 Ų98.840%0.40146%0.458SS..Hα-helixtrans-67.1-42.9178.8-59.2-51.5000111S332 E333 F338 A339 Q340S332-D336 PolarHBondContact O-N 2.79Å; E333-D336 PolarHBondContact O-N 3Å; E333-D336 VanDerWaalsContact O-N 3.12Å; D336-F338 PolarHBondContact O-N 2.62Å; D336-A339 PolarHBondContact O-N 3.33Å; D336-Q340 WeakPolarHBondContact O-CB 3.5Å; D336-Q340 VanDerWaalsContact O-CG 3.25Å; D336-Q340 WeakPolarHBondContact O-CG 3.49Å; D336-Q340 PolarHBondContact O-N 2.83Å
337Y84.1Confident76.4Confident141 Ų141108.1 Ų108.155%0.55350%0.499SS*.Hα-helixtrans-63-39.7171.6-178.8-121.6000112.7E333 Q341E333-Y337 PolarHBondContact O-N 2.76Å; Y337-Q341 HydrophobicContact CD2-CG 4.48Å; Y337-Q341 HydrophobicContact CE2-CG 4.07Å; Y337-Q341 VanDerWaalsContact CZ-CD 3.46Å; Y337-Q341 WeakPolarHBondContact O-CG 3.26Å; Y337-Q341 PolarHBondContact O-N 3.26Å; Y337-Q341 VanDerWaalsContact O-N 3.08Å; Y337-Q341 PolarHBondContact O-NE2 3.27Å
338F85.1Confident74.4Confident25 Ų25111.9 Ų111.911%0.1151%0.512CS..Hα-helixtrans-63.8-41.5172.6172.4-87000112E296 L299 M300 W329 R334 Y335 D336 T342E296-F338 HydrophobicContact CB-CD2 3.95Å; E296-F338 HydrophobicContact CB-CE2 3.9Å; E296-F338 HydrophobicContact CG-CD2 4.04Å; E296-F338 HydrophobicContact CG-CE2 4.36Å; L299-F338 HydrophobicContact CD2-CE1 4.17Å; L299-F338 HydrophobicContact CD2-CZ 4.18Å; M300-F338 HydrophobicContact CG-CE2 3.62Å; M300-F338 HydrophobicContact CG-CZ 3.56Å; M300-F338 HydrophobicContact SD-CE2 3.9Å; M300-F338 HydrophobicContact SD-CZ 4.37Å; W329-F338 HydrophobicContact CH2-CB 4.48Å; W329-F338 AromaticContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD1 3.53Å; W329-F338 HydrophobicContact CH2-CD2 4.42Å; W329-F338 AromaticContact CH2-CE1 3.76Å; W329-F338 HydrophobicContact CH2-CE1 3.76Å; W329-F338 AromaticContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CG 3.9Å; W329-F338 HydrophobicContact CH2-CZ 4.28Å; W329-F338 HydrophobicContact CZ2-CB 3.85Å; W329-F338 AromaticContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD1 3.75Å; W329-F338 HydrophobicContact CZ2-CD2 4.03Å; W329-F338 HydrophobicContact CZ2-CE1 4.3Å; W329-F338 AromaticContact CZ2-CG 3.6Å; W329-F338 HydrophobicContact CZ2-CG 3.6Å; R334-F338 VanDerWaalsContact O-CB 3.32Å; R334-F338 WeakPolarHBondContact O-CB 3.37Å; R334-F338 PolarHBondContact O-N 2.95Å; Y335-F338 CarbonylContact O-C 3.6Å; Y335-F338 PolarHBondContact O-N 3.26Å; D336-F338 PolarHBondContact O-N 2.62Å; F338-T342 VanDerWaalsContact O-CB 3.26Å; F338-T342 WeakPolarHBondContact O-CB 3.43Å; F338-T342 PolarHBondContact O-N 3.09Å; F338-T342 PolarHBondContact O-OG1 3.4Å
339A83.5Confident72.2Confident16 Ų16115.7 Ų115.713%0.13252%0.52CS..Hα-helixtrans-68.8-37.8-18000000111.4Y335 D336 R343Y335-A339 HydrophobicContact CE1-CB 4.42Å; Y335-A339 WeakPolarHBondContact O-CB 3.16Å; Y335-A339 PolarHBondContact O-N 2.97Å; D336-A339 PolarHBondContact O-N 3.33Å; A339-R343 WeakPolarHBondContact O-CB 3.42Å; A339-R343 VanDerWaalsContact O-CD 3.27Å; A339-R343 WeakPolarHBondContact O-CD 3.28Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-N 2.67Å; A339-R343 VanDerWaalsContact O-N 3.1Å
340Q81.4Confident70Confident133 Ų133120.6 Ų120.662%0.62155%0.547SS*.Hα-helixtrans-62.4-53.5172.1-71.6171.540.200111.2D336 T342 R343D336-Q340 WeakPolarHBondContact O-CB 3.5Å; D336-Q340 VanDerWaalsContact O-CG 3.25Å; D336-Q340 WeakPolarHBondContact O-CG 3.49Å; D336-Q340 PolarHBondContact O-N 2.83Å; Q340-T342 VanDerWaalsContact C-N 3.35Å; Q340-T342 PolarHBondContact O-N 2.89Å; Q340-R343 CarbonylContact O-C 3.49Å; Q340-R343 PolarHBondContact O-N 2.94Å
341Q79.1Confident67.7Low91 Ų91124 Ų12443%0.42557%0.565SS.*Hα-helixtrans-58.8-42.6177.9-73.2168.599.700112.9Y337 R343Y337-Q341 HydrophobicContact CD2-CG 4.48Å; Y337-Q341 HydrophobicContact CE2-CG 4.07Å; Y337-Q341 VanDerWaalsContact CZ-CD 3.46Å; Y337-Q341 WeakPolarHBondContact O-CG 3.26Å; Y337-Q341 PolarHBondContact O-N 3.26Å; Y337-Q341 VanDerWaalsContact O-N 3.08Å; Y337-Q341 PolarHBondContact O-NE2 3.27Å; Q341-R343 PolarHBondContact O-N 3.07Å
342T71.4Confident65.6Low71 Ų71122.5 Ų122.544%0.43656%0.56SS.*Hα-helixtrans-73.3-13179.9-50.80000112M300 F338 Q340M300-T342 HydrophobicContact CE-CG2 4.38Å; F338-T342 VanDerWaalsContact O-CB 3.26Å; F338-T342 WeakPolarHBondContact O-CB 3.43Å; F338-T342 PolarHBondContact O-N 3.09Å; F338-T342 PolarHBondContact O-OG1 3.4Å; Q340-T342 VanDerWaalsContact C-N 3.35Å; Q340-T342 PolarHBondContact O-N 2.89Å
343R64.7Low63.9Low158 Ų158123.6 Ų123.660%0.59657%0.566SS**THydrogen-bonded Turntrans-103.238.3176.1-70.4171.6174.9-89.17.8113A339 Q340 Q341 G345A339-R343 WeakPolarHBondContact O-CB 3.42Å; A339-R343 VanDerWaalsContact O-CD 3.27Å; A339-R343 WeakPolarHBondContact O-CD 3.28Å; A339-R343 WeakPolarHBondContact O-CG 3.36Å; A339-R343 PolarHBondContact O-N 2.67Å; A339-R343 VanDerWaalsContact O-N 3.1Å; Q340-R343 CarbonylContact O-C 3.49Å; Q340-R343 PolarHBondContact O-N 2.94Å; Q341-R343 PolarHBondContact O-N 3.07Å; R343-G345 PolarHBondContact O-N 3.3Å
344F47.9Very low62Low203 Ų203120.5 Ų120.589%0.8957%0.568SS**  trans-67.869161.5-101.4-84.1000111.1
345G50.8Low60.4Low53 Ų53123 Ų12355%0.54659%0.591SS.*SBendtrans154.3120.3-176.500000112.1R343R343-G345 PolarHBondContact O-N 3.3Å
346K50.3Low58.9Low203 Ų203123.9 Ų123.988%0.88360%0.604SS**  trans65.183174.5-55.7-175.5-179.8-175.60115.5R348K346-R348 PolarHBondContact O-N 3.21Å
347K49.3Very low57.7Low212 Ų212124.9 Ų124.992%0.92261%0.609SS**  trans-69.884.4170.2-174.1178-177.2173.30111.8
348R50.1Low56.7Low231 Ų231126.5 Ų126.587%0.87262%0.615SS**  trans-144.689.6160.5-67.4-143.8-46.7-166.98.6112.5K346K346-R348 PolarHBondContact O-N 3.21Å
349Y40.4Very low55.9Low217 Ų217131.4 Ų131.485%0.85164%0.64SS**  -164.7156.3125.8-149.8-97.7000109.3
350N42.3Very low55.1Low112 Ų112135.5 Ų135.560%0.59966%0.66SS**  trans-78.6134.9-175.2-62.5-14.3000112.3H352N350-H352 WeakPolarHBondContact CB-NE2 3.38Å; N350-H352 PolarHBondContact ND2-NE2 3.36Å
351H41.5Very low54.5Low170 Ų170136.3 Ų136.379%0.78766%0.657SS**  trans-123.5148.8139.4-154.567000106.1P353H351-P353 WeakPolarHBondContact O-CD 3.31Å
352H42.1Very low54Low152 Ų152135.8 Ų135.870%0.70466%0.657SS**  trans-119.981.4-171.6-61.6-74.7000112.1N350N350-H352 WeakPolarHBondContact CB-NE2 3.38Å; N350-H352 PolarHBondContact ND2-NE2 3.36Å
353P43.8Very low54.2Low66 Ų66136 Ų13643%0.42966%0.657SS.*  trans-74.1122.6156.4-2.421000108.5H351H351-P353 WeakPolarHBondContact O-CD 3.31Å
354G43.7Very low54.5Low61 Ų61133.7 Ų133.763%0.62966%0.657SS**  trans-74.2131.1-177.600000113T356G354-T356 PolarHBondContact O-N 3.35Å
355V48.4Very low55.5Low131 Ų131128.6 Ų128.679%0.79464%0.636SS**SBendtrans66.6-33.1163.3-174.50000117.1Y358V355-Y358 PolarHBondContact O-N 2.94Å
356T54.2Low56.1Low81 Ų81130.5 Ų130.550%0.49764%0.637SS.*Hα-helixtrans-66.8-40.4-173.847.50000113.9G354 Y358 M359 D360G354-T356 PolarHBondContact O-N 3.35Å; T356-Y358 PolarHBondContact O-N 2.73Å; T356-M359 WeakPolarHBondContact O-CB 3.49Å; T356-M359 PolarHBondContact O-N 3.07Å; T356-D360 PolarHBondContact O-N 3.01Å; T356-D360 VanDerWaalsContact O-N 3.17Å
357D58.4Low56.5Low95 Ų95127.9 Ų127.951%0.50863%0.628SS.*Hα-helixtrans-53.2-28.6179.8-80.334.2000113.4R361D357-R361 VanDerWaalsContact O-CB 3.31Å; D357-R361 WeakPolarHBondContact O-CB 3.35Å; D357-R361 PolarHBondContact O-N 2.95Å; D357-R361 VanDerWaalsContact O-N 3.07Å
358Y61.8Low57Low175 Ų175121.6 Ų121.669%0.68662%0.616SS**Hα-helixtrans-75.2-29.6178.9-157.8-88.5000112.6V355 T356 L362V355-Y358 PolarHBondContact O-N 2.94Å; T356-Y358 PolarHBondContact O-N 2.73Å; Y358-L362 HydrophobicContact CD1-CD1 3.9Å; Y358-L362 HydrophobicContact CE1-CD1 3.81Å; Y358-L362 HydrophobicContact CE1-CG 4.44Å; Y358-L362 WeakPolarHBondContact O-CG 3.42Å; Y358-L362 PolarHBondContact O-N 3.4Å
359M69.6Low57.1Low129 Ų129117.8 Ų117.864%0.63561%0.612SS**Hα-helixtrans-75.7-46.9173.8-69-67-177.400110.8T356 R361 L362 V363T356-M359 WeakPolarHBondContact O-CB 3.49Å; T356-M359 PolarHBondContact O-N 3.07Å; M359-R361 VanDerWaalsContact C-N 3.33Å; M359-R361 PolarHBondContact O-N 3.08Å; M359-L362 WeakPolarHBondContact O-CB 3.2Å; M359-L362 PolarHBondContact O-N 2.72Å; M359-L362 VanDerWaalsContact O-N 3.08Å; M359-V363 WeakPolarHBondContact O-CG2 3.45Å; M359-V363 PolarHBondContact O-N 3.46Å
360D65.8Low57.3Low101 Ų101110.4 Ų110.454%0.5460%0.601SS.*Hα-helixtrans-62.3-41.6180-72.2-6.8000111.1T356 L362 V363 D364T356-D360 PolarHBondContact O-N 3.01Å; T356-D360 VanDerWaalsContact O-N 3.17Å; D360-L362 VanDerWaalsContact C-N 3.28Å; D360-L362 PolarHBondContact O-N 3.38Å; D360-V363 WeakPolarHBondContact O-CB 3.49Å; D360-V363 PolarHBondContact O-N 2.9Å; D360-V363 VanDerWaalsContact O-N 3.14Å; D360-D364 PolarHBondContact O-N 3.38Å
361R69.3Low57.4Low151 Ų151108.1 Ų108.157%0.5760%0.604SS**Hα-helixtrans-64.9-29.7175.5-148.9-154.988.5159.511.1113.3D357 M359 E365D357-R361 VanDerWaalsContact O-CB 3.31Å; D357-R361 WeakPolarHBondContact O-CB 3.35Å; D357-R361 PolarHBondContact O-N 2.95Å; D357-R361 VanDerWaalsContact O-N 3.07Å; M359-R361 VanDerWaalsContact C-N 3.33Å; M359-R361 PolarHBondContact O-N 3.08Å; R361-E365 IonicContact CZ-OE2 2.86Å; R361-E365 IonicContact NE-OE2 2.76Å; R361-E365 IonicContact NH2-OE1 3.48Å; R361-E365 PolarHBondContact NH2-OE1 3.07Å; R361-E365 IonicContact NH2-OE2 3.7Å; R361-E365 PolarHBondContact NH2-OE2 3.41Å; R361-E365 WeakPolarHBondContact O-CB 3.2Å; R361-E365 PolarHBondContact O-N 2.7Å; R361-E365 VanDerWaalsContact O-N 3.12Å
362L67.9Low57.4Low80 Ų80105.9 Ų105.942%0.41960%0.603SS.*Hα-helixtrans-74.1-36.1172.9-84169.7000112Y358 M359 D360 E365 T366Y358-L362 HydrophobicContact CD1-CD1 3.9Å; Y358-L362 HydrophobicContact CE1-CD1 3.81Å; Y358-L362 HydrophobicContact CE1-CG 4.44Å; Y358-L362 WeakPolarHBondContact O-CG 3.42Å; Y358-L362 PolarHBondContact O-N 3.4Å; M359-L362 WeakPolarHBondContact O-CB 3.2Å; M359-L362 PolarHBondContact O-N 2.72Å; M359-L362 VanDerWaalsContact O-N 3.08Å; D360-L362 VanDerWaalsContact C-N 3.28Å; D360-L362 PolarHBondContact O-N 3.38Å; L362-E365 PolarHBondContact O-N 3.26Å; L362-T366 WeakPolarHBondContact O-CG2 3.46Å; L362-T366 PolarHBondContact O-N 3.17Å; L362-T366 PolarHBondContact O-OG1 3.01Å
363V75.1Confident57.1Low74 Ų74105.4 Ų105.445%0.44861%0.61SS.*Hα-helixtrans-61.4-53.5172.6173.20000109.9M359 D360 E365 T366 E367M359-V363 WeakPolarHBondContact O-CG2 3.45Å; M359-V363 PolarHBondContact O-N 3.46Å; D360-V363 WeakPolarHBondContact O-CB 3.49Å; D360-V363 PolarHBondContact O-N 2.9Å; D360-V363 VanDerWaalsContact O-N 3.14Å; V363-E365 VanDerWaalsContact C-N 3.3Å; V363-E365 PolarHBondContact O-N 3.37Å; V363-T366 PolarHBondContact O-N 3.37Å; V363-T366 PolarHBondContact O-OG1 2.7Å; V363-E367 PolarHBondContact O-N 2.91Å
364D71.3Confident56.7Low111 Ų111110.1 Ų110.159%0.59463%0.632SS**Hα-helixtrans-53.4-45.6176-79.5-14.1000112.3D360 T366 E367 A368D360-D364 PolarHBondContact O-N 3.38Å; D364-T366 VanDerWaalsContact C-N 3.29Å; D364-T366 PolarHBondContact O-N 2.63Å; D364-E367 PolarHBondContact O-N 3.34Å; D364-A368 VanDerWaalsContact O-CB 3.27Å; D364-A368 WeakPolarHBondContact O-CB 3.4Å; D364-A368 PolarHBondContact O-N 3.29Å
365E69.9Low56.1Low95 Ų95111.8 Ų111.844%0.44464%0.64SS.*Hα-helixtrans-69.2-25-178.8-165.1157.9-152.200112.4R361 L362 V363R361-E365 IonicContact CZ-OE2 2.86Å; R361-E365 IonicContact NE-OE2 2.76Å; R361-E365 IonicContact NH2-OE1 3.48Å; R361-E365 PolarHBondContact NH2-OE1 3.07Å; R361-E365 IonicContact NH2-OE2 3.7Å; R361-E365 PolarHBondContact NH2-OE2 3.41Å; R361-E365 WeakPolarHBondContact O-CB 3.2Å; R361-E365 PolarHBondContact O-N 2.7Å; R361-E365 VanDerWaalsContact O-N 3.12Å; L362-E365 PolarHBondContact O-N 3.26Å; V363-E365 VanDerWaalsContact C-N 3.3Å; V363-E365 PolarHBondContact O-N 3.37Å
366T63Low55.3Low94 Ų94111.4 Ų111.458%0.57764%0.643SS**Hα-helixtrans-82.9-37.5170.658.20000113.8L362 V363 D364 A368 L369 G370L362-T366 WeakPolarHBondContact O-CG2 3.46Å; L362-T366 PolarHBondContact O-N 3.17Å; L362-T366 PolarHBondContact O-OG1 3.01Å; V363-T366 PolarHBondContact O-N 3.37Å; V363-T366 PolarHBondContact O-OG1 2.7Å; D364-T366 VanDerWaalsContact C-N 3.29Å; D364-T366 PolarHBondContact O-N 2.63Å; T366-A368 VanDerWaalsContact C-N 3.33Å; T366-L369 PolarHBondContact O-N 3.49Å; T366-G370 PolarHBondContact O-N 3.14Å
367E59.3Low54.3Low148 Ų148111.7 Ų111.769%0.69265%0.653SS**Hα-helixtrans-66.7-36.8174.8-66.3-151.4152.500111.5V363 D364 L369 G370V363-E367 PolarHBondContact O-N 2.91Å; D364-E367 PolarHBondContact O-N 3.34Å; E367-L369 VanDerWaalsContact C-N 3.27Å; E367-L369 PolarHBondContact O-N 2.94Å; E367-G370 PolarHBondContact O-N 3.12Å
368A58.2Low53Low80 Ų80114.8 Ų114.866%0.66167%0.669SS**Hα-helixtrans-61.6-29.4174.800000114D364 T366D364-A368 VanDerWaalsContact O-CB 3.27Å; D364-A368 WeakPolarHBondContact O-CB 3.4Å; D364-A368 PolarHBondContact O-N 3.29Å; T366-A368 VanDerWaalsContact C-N 3.33Å
369L53.7Low51.6Low151 Ų151112.3 Ų112.379%0.79167%0.672SS**Hα-helixtrans-98.3-21179.2-97.766.2000114.2T366 E367 G371T366-L369 PolarHBondContact O-N 3.49Å; E367-L369 VanDerWaalsContact C-N 3.27Å; E367-L369 PolarHBondContact O-N 2.94Å; L369-G371 VanDerWaalsContact C-N 3.31Å; L369-G371 PolarHBondContact O-N 2.93Å
370G43.9Very low49.7Very low61 Ų61110.6 Ų110.663%0.62967%0.673SS**Hα-helixtrans-73.9-16.2-178.900000115.2T366 E367 T372T366-G370 PolarHBondContact O-N 3.14Å; E367-G370 PolarHBondContact O-N 3.12Å; G370-T372 PolarHBondContact O-N 3.32Å; G370-T372 VanDerWaalsContact O-N 3.09Å
371G43.7Very low47.8Very low64 Ų64113.2 Ų113.266%0.6669%0.687SS**  trans-77.318.5-161.300000119.3L369L369-G371 VanDerWaalsContact C-N 3.31Å; L369-G371 PolarHBondContact O-N 2.93Å
372T42.4Very low46Very low123 Ų123116.3 Ų116.376%0.75570%0.699SS**  trans-150.177-179.2-47.40000115.9G370G370-T372 PolarHBondContact O-N 3.32Å; G370-T372 VanDerWaalsContact O-N 3.09Å
373V36.5Very low44.7Very low142 Ų142118 Ų11886%0.86171%0.714SS**  trans-135.3138.4148.4-75.70000110.8
374N34.3Very low42.4Very low165 Ų165120.8 Ų120.888%0.88272%0.723SS**  trans-82.4135.3-163.4-59-65.9000113.8
375A30.4Very low40.9Very low97 Ų97121.4 Ų121.480%0.80273%0.733SS**  trans-121.393.2174.100000112.3
376S32.4Very low39Very low123 Ų123123.3 Ų123.386%0.8675%0.745SS**  trans-173.7121.4159.7-87.70000112.6
377A32.8Very low38.4Very low86 Ų86124 Ų12471%0.71175%0.751SS**  trans154.8115.5133.800000114.4
378L32.4Very low37Very low161 Ų161123 Ų12384%0.84375%0.75SS**  trans67.2152.7146.1-50.8171.2000117.4
379T32Very low35.7Very low122 Ų122125.5 Ų125.575%0.74875%0.748SS**  cis-159.1150.2-9.89.90000111.9
380S29.1Very low34.6Very low93 Ų93125.4 Ų125.465%0.6574%0.744SS**  trans23.4125.7144.1-154.70000121.5
381N27.2Very low34Very low157 Ų157129.3 Ų129.384%0.8475%0.749SS**  175.5147.5106-84.2-32.6000115.1
382R30.6Very low33.3Very low215 Ų215132.2 Ų132.281%0.81175%0.75SS**  trans-115150.4165.4-172.9171.1-174.3-103.9-6105.5
383P39.5Very low32.6Very low115 Ų115132.7 Ų132.775%0.74775%0.747SS**  cis-150.2-172.446.943-20.3000119
384E28.7Very low32.3Very low134 Ų134133 Ų13363%0.62674%0.743SS**  trans-53.7169.8167.6-109.9-179.2-145.100115.7
385P39.3Very low32Very low123 Ų123131.5 Ų131.580%0.79974%0.735SS**  cis-148.3176.347.741.6-19.6000121.3
386I29.5Very low31.9Very low135 Ų135131.4 Ų131.469%0.69273%0.728SS**  trans-63.6164.6171.2-77.4159.6000113.6
387P49.7Very low31.8Very low109 Ų109134.8 Ų134.871%0.70873%0.728SS**  cis-119-150.514.532.5-9000113.2
388D30Very low31.8Very low128 Ų128136.8 Ų136.868%0.68473%0.731SS**  cis-164.5-178.512.4-143.70.4000109.2
389Q31.2Very low31.7Very low131 Ų131133.7 Ų133.761%0.61273%0.728SS**  cis-161.1170.41-156.1176.3105.600110
390Q30.2Very low31.5Very low149 Ų149133.1 Ų133.170%0.69673%0.73SS**  trans31.4140.8153-83.7178.152.300121.7
391L32.2Very low31.7Very low143 Ų143136 Ų13675%0.74974%0.738SS**  cis-163.6-160.344.7-132165.4000113.1
392N28.1Very low32Very low126 Ų126137 Ų13767%0.67474%0.742SS**  trans-103.6142.9-156.4-80.9-36.6000118.3
393I28.3Very low32.3Very low133 Ų133133.2 Ų133.268%0.68274%0.743SS**  41.3120.7127.1-39.2160.3000119.6
394L30Very low32Very low149 Ų149132 Ų13278%0.7874%0.742SS**  176.9126.4115.3-95.1174.4000116.7
395N29.6Very low32.1Very low133 Ų133133 Ų13371%0.71175%0.752SS**  trans22.8135.4143.6-63.3-7.2000124.7
396S28.2Very low31.9Very low95 Ų95131.9 Ų131.966%0.66474%0.743SS**  trans62.1118.1133.766.50000122.1
397F29.2Very low32.3Very low194 Ų194132.5 Ų132.585%0.85175%0.747SS**  -171.7102.9129.9-89.3-65.2000106.6
398T32.8Very low31.7Very low127 Ų127131.8 Ų131.878%0.77975%0.745SS**  63.4138.596.362.50000116.3
399A30.4Very low31.7Very low96 Ų96132 Ų13279%0.79375%0.75SS**  trans-74.1147-17800000114.4
400S28.8Very low31.8Very low111 Ų111129.3 Ų129.378%0.77675%0.751SS**  trans-169.6128.2135.6-76.50000109.5
401D31.5Very low32.1Very low153 Ų153128.8 Ų128.882%0.81876%0.758SS**  trans144.571.4151.3-78.7-1.4000113.2
402L35.3Very low32Very low178 Ų178128.4 Ų128.493%0.93276%0.761SS**  trans-161.581.8142.7-85.6-160.5000108.6
403T36Very low32.2Very low136 Ų136127.5 Ų127.583%0.83476%0.763SS**  trans-146.6154.3172.648.70000111.5
404A33.8Very low32.2Very low88 Ų88128.5 Ų128.573%0.72777%0.77SS**  trans72.6128.4-167.200000113.1
405L30.6Very low33.2Very low157 Ų157126.3 Ų126.382%0.82277%0.765SS**  cis-118.6123.110.3-70.8166.9000109.4
406T35.2Very low33.2Very low99 Ų99125.3 Ų125.361%0.60776%0.764SS**  58.2137.480.164.70000113.9
407N36.8Very low33.2Very low147 Ų147127.4 Ų127.479%0.78677%0.768SS**  cis-170170.55.7-104.8-9.2000108.3
408S38Very low33.3Very low94 Ų94125.5 Ų125.566%0.65777%0.771SS**  cis-175.3-169.9-18-172.90000108.9
409V29.6Very low33.1Very low133 Ų133126.6 Ų126.681%0.80677%0.772SS**  trans76.798.9173.7-172.40000114.2
410A33.8Very low33Very low75 Ų75127.1 Ų127.162%0.6277%0.769SS**  cis68.8149.710.500000115.5
411T36.7Very low33.1Very low138 Ų138129 Ų12985%0.84777%0.769SS**  cis-166.4-179.7-11.921.70000106.4
412V29.5Very low33Very low134 Ų134128.6 Ų128.681%0.81277%0.767SS**  cis-155-178.117.577.50000109.8
413C31.2Very low32.7Very low107 Ų107126.2 Ų126.272%0.72376%0.756SS**  trans-106.7150.6175-48.60000114.3
414D30.1Very low32.4Very low155 Ų155124.8 Ų124.883%0.82975%0.752SS**  trans60174.1153.3-91.8-56.9000118.7
415P49.3Very low32.2Very low102 Ų102130.5 Ų130.566%0.66276%0.76SS**  cis-141.2-164.714.944.8-25000117.9
416T30Very low33.6Very low112 Ų112128.2 Ų128.269%0.68776%0.755SS**  trans84.4117.4151.745.90000122.9
417D28.1Very low34.3Very low140 Ų140129 Ų12975%0.74976%0.762SS**  trans31123.6130.7-50.6-40.2000121.4
418V30.8Very low34Very low153 Ų153130.4 Ų130.493%0.92777%0.768SS**  -172.4166.389.4-83.40000111.4
419N29.5Very low33.4Very low150 Ų150129.1 Ų129.180%0.80277%0.77SS**  trans-117.3129.1-178.117715.3000111.2
420C28.7Very low33.3Very low108 Ų108130.8 Ų130.873%0.7377%0.774SS**  trans179.1123.9150.6-105.10000115.3
421L31.4Very low33.2Very low149 Ų149133.4 Ų133.478%0.7878%0.783SS**  55.7108.4129.4-76.4167.8000123.3
422D28.2Very low33.6Very low145 Ų145132.3 Ų132.378%0.77578%0.778SS**  115149.9107-140.23.9000122
423D29.3Very low33.7Very low128 Ų128136.3 Ų136.368%0.68478%0.779SS**  trans79.7116.2153.9-128.4-20.6000125.4
424S30.1Very low33.5Very low107 Ų107134.5 Ų134.575%0.74878%0.778SS**  trans74.2155.3142.4-78.60000126.2
425F29.4Very low33.5Very low207 Ų207134 Ų13491%0.90877%0.771SS**  trans-107.5-155.6-172.6-71.3-103.9000114.2
426P60.1Low32.6Very low110 Ų110134.6 Ų134.671%0.71477%0.772SS**  -124.3-178.4-108.540.5-20000115.9
427P49Very low32.6Very low115 Ų115135.5 Ų135.575%0.74777%0.772SS**  -157.6142.6122.736.8-17.1000120.2
428L30.9Very low32.7Very low176 Ų176137.3 Ų137.392%0.92178%0.776SS**  trans47.1134.8131-63.7165.9000125.8
429G25.7Very low32.6Very low67 Ų67135.6 Ų135.669%0.69177%0.766SS**  trans94.3157137.400000118.4
430N28Very low33.3Very low168 Ų168134.2 Ų134.290%0.89877%0.765SS**  cis-159168.2-4.3-101.6-3.7000111.3
431T31.5Very low33.3Very low130 Ų130134.9 Ų134.980%0.79877%0.765SS**  trans-91.2175.5174.161.80000113.1
432P44.2Very low33.1Very low116 Ų116133.8 Ų133.875%0.75376%0.764SS**  -156.3149.999.338.7-19.7000119.6
433R32.4Very low33.2Very low218 Ų218132.1 Ų132.182%0.82376%0.76SS**  trans60.1143148.2-79.8-178.3141.3120.5-1.8122.4Q435R433-Q435 VanDerWaalsContact CZ-OE1 3.31Å
434G26.2Very low33.3Very low68 Ų68134.1 Ų134.170%0.70177%0.765SS**  cis155.3-179-14.900000117.2
435Q31.5Very low33.3Very low146 Ų146136.9 Ų136.968%0.68277%0.766SS**  trans67.9138.9151.3-76.6-173.1-105.700119.5R433R433-Q435 VanDerWaalsContact CZ-OE1 3.31Å
436V29Very low33.4Very low114 Ų114133.9 Ų133.969%0.69176%0.759SS**  cis-139.7161.89.1-171.20000112.1
437N31.6Very low31.9Very low130 Ų130135.4 Ų135.470%0.69576%0.76SS**  trans-87.8174-173.7-22.8-84.6000116.4
438H30.3Very low30.9Very low179 Ų179136.6 Ų136.683%0.82977%0.765SS**  -168152.6103.7-104.6-78000114.3
439V27.3Very low30.9Very low117 Ų117136.1 Ų136.171%0.70976%0.763SS**  trans-152.2133-166.9167.10000111.8V441V439-V441 HydrophobicContact CG1-CG2 3.81Å
440P44.4Very low31.6Very low120 Ų120138.8 Ų138.878%0.77977%0.768SS**  -143.1170.2108.930.3-10.1000113.6
441V29.1Very low31.6Very low122 Ų122135.5 Ų135.574%0.73976%0.758SS**  cis95146.711.3-174.70000116.1V439V439-V441 HydrophobicContact CG1-CG2 3.81Å
442V27.5Very low31.5Very low126 Ų126137.2 Ų137.276%0.76476%0.762SS**  trans94133.7174.2-179.10000116.9
443T29.8Very low30.7Very low110 Ų110135.3 Ų135.368%0.67576%0.764SS**  cis-164.9154.2-28.337.50000111.7
444E31.3Very low30.6Very low170 Ų170133.4 Ų133.479%0.79476%0.764SS**  trans53.4117142.4-68.8172.8-16600124.8
445E30.7Very low30.7Very low165 Ų165135 Ų13577%0.77177%0.765SS**  43.6125.6114.9-159.9174.5-120.600122.5
446L30.4Very low30.6Very low145 Ų145135.1 Ų135.176%0.75977%0.77SS**  177.4122.1116.6-93.9169.6000115.6
447L29.4Very low30.6Very low141 Ų141135 Ų13574%0.73877%0.773SS**  trans6.3130.2151.4-52.3170.5000121.7
448T27.8Very low30.5Very low140 Ų140138.8 Ų138.886%0.85978%0.784SS**  169.9151.5101.634.20000113.9
449L30.9Very low30.5Very low166 Ų166137.5 Ų137.587%0.86978%0.783SS**  trans-105.1162.1167.1-68.2168.6000109.9
450P39.9Very low30.7Very low123 Ų123138.7 Ų138.780%0.79979%0.785SS**  -150.5140.597.337-19.3000117.9
451S28.3Very low30.1Very low99 Ų99140.9 Ų140.969%0.69278%0.782SS**  trans38.4129.3133.2-1530000123.9
452N30.3Very low30Very low166 Ų166142.5 Ų142.589%0.88878%0.782SS**  trans51.8135.5144.6-67.811.8000122.5
453G27.2Very low30Very low76 Ų76142.2 Ų142.278%0.78478%0.78SS**  trans177.5136.7162.200000112.2
454E29.1Very low29.9Very low179 Ų179140.8 Ų140.884%0.83679%0.788SS**  trans-94.7-174.6-17166.5-120.390.600115.9
455S28.5Very low29.8Very low101 Ų101140.2 Ų140.271%0.70678%0.783SS**  trans85.8115.6159.670.30000121.5
456D29.4Very low29.7Very low149 Ų149143.8 Ų143.880%0.79779%0.791SS**  trans36123.3130.6-51.3-31.8000122.3
457C29.7Very low29.5Very low112 Ų112143.6 Ų143.676%0.75779%0.786SS**  176.1133.2106.5-92.20000113
458F28.5Very low29.5Very low208 Ų208140.7 Ų140.791%0.91278%0.777SS**  -177139.6115.7-98.3-65.5000110.9
459N31.7Very low29.5Very low153 Ų153141.2 Ų141.282%0.81877%0.77SS**  trans-123.4137.4-177.9-97.8-83000110.8
460L30.8Very low29.5Very low142 Ų142140.5 Ų140.574%0.74377%0.766SS**  trans173.2134.5155.1-117.651.1000107.2
461F30.9Very low28.9Very low165 Ų165141.9 Ų141.972%0.72477%0.767SS**  cis-140.2141.119.5-86.2-89.9000114.1
462E27.1Very low29.7Very low157 Ų157142.1 Ų142.173%0.73477%0.766SS**  61.280.2121.5-145.3153-152.900122.1
463T29Very low29.5Very low119 Ų119142.4 Ų142.473%0.7376%0.764SS**  44.8129.8124.361.30000122.8
464G27.7Very low29.5Very low81 Ų81145.6 Ų145.684%0.83576%0.763SS**  trans-151.678.3160.400000112.7
465F28Very low29.6Very low157 Ų157145 Ų14569%0.68976%0.762SS**  trans-75.9136.1-177.3-93.7-116.3000113.4H467F465-H467 HydrophobicContact CD1-CB 4.28Å; F465-H467 AromaticContact CD1-CD2 3.72Å; F465-H467 AromaticContact CE1-CD2 3.6Å
466Y29.6Very low29.5Very low240 Ų240146.5 Ų146.594%0.94177%0.772SS**  trans-129.9147.5137.2-102.4-89.2000107.9
467H26.4Very low29.5Very low142 Ų142145.2 Ų145.266%0.65777%0.774SS**  trans-151.6157.8-162.9-149.1-90.9000111.5F465F465-H467 HydrophobicContact CD1-CB 4.28Å; F465-H467 AromaticContact CD1-CD2 3.72Å; F465-H467 AromaticContact CE1-CD2 3.6Å
468S29.4Very low29.4Very low79 Ų79149 Ų14955%0.55278%0.781SS**  trans72.2146.2161.8-62.70000118.3
469E27.6Very low29.8Very low151 Ų151148.1 Ų148.171%0.70678%0.779SS**  cis-164.4160.8-8.8-115.7161.8-118.600112.8
470L30Very low29.7Very low152 Ų152145.1 Ų145.180%0.79677%0.77SS**  trans61.6123.7145.6-67.9166.5000123.6
471N28.6Very low29.9Very low152 Ų152147.6 Ų147.681%0.81378%0.778SS**  trans-63.7177.6151.7-116.8-26000111.7
472P43.4Very low30.1Very low103 Ų103149.2 Ų149.267%0.66978%0.78SS**  cis-143.1-166.416.842.3-21.5000117.1
473M27.6Very low30.5Very low173 Ų173147 Ų14785%0.85278%0.779SS**  trans76.8144156.7-102.8169.1176.100117.3
474N26.9Very low30.8Very low142 Ų142146 Ų14676%0.75978%0.783SS**  cis-154.9174.915.3-169.219.9000112.1
475M30.5Very low31.7Very low166 Ų166150.8 Ų150.882%0.81878%0.781SS**  trans-76.9144.4179.1-67.3-74.9174.800115.1
476C26.7Very low32.7Very low134 Ų134152.4 Ų152.491%0.90578%0.782SS**  trans-161.3147.4136.7-97.90000111.2
477S29.3Very low33.3Very low121 Ų121148.3 Ų148.385%0.84678%0.776SS**  trans-91.3149175.1-470000111.3
478E28.7Very low33.9Very low191 Ų191151.2 Ų151.289%0.89379%0.787SS**  trans-154.3139.2148.9-127.2173.2-170.200110.4
479E35.3Very low34.4Very low190 Ų190155.8 Ų155.889%0.88880%0.801SS**  trans-73.7148.1173.2-70.217392.600110.5
480S30.4Very low34.6Very low90 Ų90151.4 Ų151.463%0.62980%0.797SS**  trans-153.966.9171-92.90000111.9R482S480-R482 PolarHBondContact O-N 3.08Å
481E35.3Very low34.6Very low195 Ų195151.7 Ų151.791%0.91180%0.798SS**  trans-43.6115.6163.5-179.1-175.4-136.200111.4
482R33.7Very low34.7Very low198 Ų198148.7 Ų148.775%0.74779%0.794SS**  trans-145145.6168.9-74.6-164.317577.74.3110.7S480S480-R482 PolarHBondContact O-N 3.08Å
483P36.8Very low34.1Very low110 Ų110149.6 Ų149.671%0.71480%0.798SS**PPolyproline II helixtrans-76.1151.5-164.529.7-36.9000113.7K485P483-K485 PolarHBondContact O-N 3.23Å
484A34.1Very low34.5Very low100 Ų100147.1 Ų147.183%0.82679%0.794SS**PPolyproline II helixtrans-57.1121.4171.500000110.8
485K46.8Very low34.7Very low181 Ų181149.2 Ų149.279%0.78780%0.799SS**PPolyproline II helixtrans-96.7116.8179.6-73.7-176.9178.3178.20110.8P483 L487P483-K485 PolarHBondContact O-N 3.23Å; K485-L487 PolarHBondContact O-N 2.93Å; K485-L487 VanDerWaalsContact O-N 3.1Å
486R50.5Low34.7Very low191 Ų191146.4 Ų146.472%0.72180%0.796SS**  trans-52.3109.1169.5-167.9-177.9-149.4172.110.7110.8E180E180-R486 IonicContact OE1-CZ 3.56Å; E180-R486 IonicContact OE1-NE 3.12Å; E180-R486 PolarHBondContact OE1-NE 3.01Å; E180-R486 VanDerWaalsContact OE1-NE 3.12Å; E180-R486 IonicContact OE1-NH2 3.1Å; E180-R486 PolarHBondContact OE1-NH2 2.95Å; E180-R486 VanDerWaalsContact OE1-NH2 3.1Å; E180-R486 IonicContact OE2-CZ 3.97Å; E180-R486 IonicContact OE2-NH2 2.89Å; E180-R486 PolarHBondContact OE2-NH2 3.37Å
487L42.1Very low34.8Very low154 Ų154149.9 Ų149.981%0.80680%0.796SS**  trans-97.999.9175.1-80169.2000110K485 M489K485-L487 PolarHBondContact O-N 2.93Å; K485-L487 VanDerWaalsContact O-N 3.1Å; L487-M489 PolarHBondContact O-N 2.87Å
488K38Very low34.8Very low202 Ų202152.2 Ų152.288%0.87880%0.796SS**  trans-82.793.7172.1-176.2173.7-179.7174.70109.4G490K488-G490 PolarHBondContact O-N 3.4Å
489M39.8Very low34.8Very low175 Ų175150.9 Ų150.986%0.86280%0.795SS**  trans-73.1112.5177.1-163.266.1175.600110.3L487L487-M489 PolarHBondContact O-N 2.87Å
490G31.3Very low34.5Very low60 Ų60150.5 Ų150.562%0.61979%0.793SS**  trans-91.4123.2166.900000109.5K488 A492K488-G490 PolarHBondContact O-N 3.4Å; G490-A492 PolarHBondContact O-N 3.04Å; G490-A492 VanDerWaalsContact O-N 3.1Å
491I31.7Very low34.4Very low158 Ų158153.5 Ų153.581%0.8181%0.807SS**  trans-78.395.8176.1-57.7175.5000108.2V493I491-V493 HydrophobicContact CG2-CG2 4.43Å
492A30Very low34Very low89 Ų89149.1 Ų149.174%0.73680%0.798SS**  trans-89.5115.3165.300000108.6G490 P494G490-A492 PolarHBondContact O-N 3.04Å; G490-A492 VanDerWaalsContact O-N 3.1Å; A492-P494 WeakPolarHBondContact O-CD 3.27Å
493V31.4Very low33.7Very low122 Ų122145.2 Ų145.274%0.73980%0.796SS**PPolyproline II helixtrans-78.8122.8173.5179.30000108.5I491I491-V493 HydrophobicContact CG2-CG2 4.43Å
494P35.8Very low33.3Very low120 Ų120146.5 Ų146.578%0.77980%0.797SS**PPolyproline II helixtrans-72.1127.8169.4-14.730.9000109.9A492A492-P494 WeakPolarHBondContact O-CD 3.27Å
495E31.5Very low33Very low186 Ų186149 Ų14987%0.86980%0.797SS**PPolyproline II helixtrans-65.6155.4175.5-71.8178.3111.300112.3
496S30.3Very low32.4Very low107 Ų107149.2 Ų149.275%0.74881%0.805SS**PPolyproline II helixtrans-72.8144.1-179.748.60000112.5
497F27.8Very low31.3Very low207 Ų207143.3 Ų143.391%0.90880%0.804SS**  trans-123.2111.7162.8-105.7-91.6000109
498M29.2Very low30.8Very low170 Ų170143 Ų14384%0.83781%0.808SS**  trans-85.9149.1172-60.8-164.778.100110.9
499N28.7Very low30.4Very low164 Ų164140.5 Ų140.588%0.87780%0.804SS**  trans-156151.6148.5-120-51.3000110.8
500E29.3Very low30Very low181 Ų181142.6 Ų142.685%0.84681%0.809SS**  trans-91.9149.1-167.3-50.817814700113.6
501V28.3Very low30.1Very low153 Ų153148.1 Ų148.193%0.92782%0.818SS**  trans-145.5151.5131.31780000107.3
502S26Very low30Very low103 Ų103147.4 Ų147.472%0.7282%0.817SS**  trans-118.5-169.4-166.8-167.10000114.2
503V29.2Very low30.1Very low116 Ų116150.6 Ų150.670%0.70382%0.816SS**  trans81.9103.2163.7-60.90000122.8
504N27.5Very low30.2Very low138 Ų138150.2 Ų150.274%0.73881%0.814SS**  87.8114.3120.4-62.6-0.1000122.9
505N28.7Very low30.2Very low153 Ų153152.1 Ų152.182%0.81881%0.812SS**  trans43.5114.1132.6-64.614.7000121.4
506L33.1Very low30.3Very low184 Ų184151.3 Ų151.396%0.96381%0.808SS**  -154.3131.2125.2-107.6154.2000108.2
507G26.7Very low30.4Very low67 Ų67153.6 Ų153.669%0.69181%0.81SS**  trans-120.2150-176.500000112.6
508V32.1Very low30.9Very low147 Ų147149.9 Ų149.989%0.89180%0.804SS**  trans-156.2148.6164.5-104.80000108.4
509D30.5Very low31Very low151 Ų151147.5 Ų147.581%0.80781%0.805SS**  trans-73155.8-170.8-42.2-93000113.2
510F31.2Very low31.3Very low219 Ų219144.3 Ų144.396%0.96180%0.801SS**  trans-144.5148.8155-112.9-79.4000111.4
511E32.5Very low31.9Very low175 Ų175145.5 Ų145.582%0.81880%0.804SS**  trans-95.2145.6-154.8-152.5167.1131.600114.2H513E511-H513 PolarHBondContact O-N 3.42Å
512N30Very low32.4Very low144 Ų144146.4 Ų146.477%0.7780%0.8SS**  trans-63124.7-177.8-74.1-40.5000112.9
513H33.2Very low33.3Very low156 Ų156146.3 Ų146.372%0.72281%0.805SS**  trans-142.983.7160.1-90.272.4000110.7E511 H515E511-H513 PolarHBondContact O-N 3.42Å; H513-H515 PolarHBondContact O-N 3.31Å
514T31.5Very low33.7Very low114 Ų114146.9 Ų146.970%0.69981%0.808SS**  trans-86.8101.8177.647.80000111.7
515H37.3Very low33.9Very low160 Ų160146 Ų14674%0.74181%0.813SS**  trans-88.5114.3169.8-74.9-80.9000111H513 I517H513-H515 PolarHBondContact O-N 3.31Å; H515-I517 PolarHBondContact O-N 3.3Å
516H32.8Very low34.2Very low168 Ų168145.5 Ų145.578%0.77882%0.815SS**  trans-73.3114.1176-61.8-95.2000110.7T518H516-T518 PolarHBondContact O-N 3.44Å
517I33.3Very low34.3Very low156 Ų156140.2 Ų140.280%0.880%0.798SS**  trans-91.398172.9-58.9178.1000108.8H515H515-I517 PolarHBondContact O-N 3.3Å
518T36.7Very low34.6Very low128 Ų128144.9 Ų144.979%0.78581%0.807SS**  trans-74.2127.8170.340.50000110.4H516 A520H516-T518 PolarHBondContact O-N 3.44Å; T518-A520 PolarHBondContact O-N 2.97Å; T518-A520 VanDerWaalsContact O-N 3.07Å
519S32.6Very low34.8Very low120 Ų120147.2 Ų147.284%0.83981%0.806SS**  trans-80.489-174.9-69.60000112.3
520A34.3Very low34.9Very low97 Ų97143.5 Ų143.580%0.80280%0.803SS**  trans-77.1126.4168.800000110.9T518T518-A520 PolarHBondContact O-N 2.97Å; T518-A520 VanDerWaalsContact O-N 3.07Å
521K41.7Very low35Very low207 Ų207138.9 Ų138.990%0.980%0.798SS**  trans-118.391.3-176.3-159.1173.7-169.2173.30110.4
522M40.5Very low35.2Very low172 Ų172139 Ų13985%0.84780%0.803SS**  trans-106.8139.7178.1-70.4-69.2-84.100110.6
523A44.2Very low35.2Very low101 Ų101137.6 Ų137.684%0.83581%0.805SS**  trans-137.7125.3170.900000108.2
524V36.6Very low35.2Very low127 Ų127135.2 Ų135.277%0.7781%0.812SS**  trans-111.5133-179-179.90000108.3
525S31.5Very low35.2Very low119 Ų119135.5 Ų135.583%0.83282%0.819SS**  trans-92.7121169.8-62.10000108.9
526V36.7Very low35.1Very low143 Ų143136.4 Ų136.487%0.86782%0.823SS**  trans-75.9141.4173.2-148.90000109
527A35.3Very low35.2Very low73 Ų73135.3 Ų135.360%0.60383%0.829SS**  trans-116.1119171.700000109F529A527-F529 PolarHBondContact O-N 3.09Å
528D31.5Very low35.1Very low166 Ų166136 Ų13689%0.88883%0.834SS**  trans-60.4127.3179.2-84-46.9000112
529F37.7Very low34.8Very low196 Ų196133.5 Ų133.586%0.8683%0.834SS**  trans-118.7111.7161.5-82.3-82.4000109.4A527A527-F529 PolarHBondContact O-N 3.09Å
530G31.9Very low34.7Very low73 Ų73136.8 Ų136.875%0.75383%0.833SS**  trans-64145.1-170.800000114.1
531S34.2Very low34.8Very low122 Ų122139.1 Ų139.185%0.85383%0.831SS**  trans-62.5136.4-177.9-380000113
532L35.2Very low34.1Very low176 Ų176135 Ų13592%0.92183%0.828SS**  trans-125.5121.3155.9-75.1177.9000109.7
533S30.3Very low33.8Very low116 Ų116130.7 Ų130.781%0.81182%0.82SS**  trans-72.9138-174.354.70000112.6
534A33.2Very low33.2Very low106 Ų106135.3 Ų135.388%0.87682%0.824SS**  trans-66.9136.1169.700000111.9
535S31.3Very low33Very low119 Ų119133.1 Ų133.183%0.83282%0.819SS**  trans-150.4133.9157.4-172.10000108.8
536E35.2Very low32.9Very low180 Ų180134.8 Ų134.884%0.84182%0.818SS**  trans-80.1149.9-175.2-55.2171.2109.800111.7
537T35.2Very low32.6Very low145 Ų145134.8 Ų134.889%0.8981%0.808SS**  -175.1155.5125.419.30000112.5
538N31.8Very low32.3Very low170 Ų170138.2 Ų138.291%0.90981%0.812SS**  trans-79.3142.5-178-68.1-80.7000112.9
539G29.3Very low32.2Very low76 Ų76139 Ų13978%0.78481%0.809SS**  trans-149.1137.9170.500000111.6
540F31.1Very low31.9Very low188 Ų188133.5 Ų133.583%0.82580%0.8SS**  trans-116.6136.5-166.2-127.2-96.7000112.2
541I36.3Very low32Very low146 Ų146134.4 Ų134.475%0.74980%0.801SS**  trans39125160.463.9-176.6000121.2
542S27.6Very low32Very low120 Ų120135.6 Ų135.684%0.83980%0.797SS**  144151.7105-159.60000113
543A34.6Very low31.8Very low83 Ų83135.3 Ų135.369%0.68679%0.79SS**  trans-100.1150.6178.300000112.2
544H31.2Very low31.9Very low198 Ų198134.8 Ų134.892%0.91779%0.787SS**  trans-154.3169.1149.4-108.4-74.8000109.9
545A31.5Very low32.2Very low81 Ų81142 Ų14267%0.66980%0.803SS**  trans-136.3179.4-161.700000113.8
546L29.7Very low32.2Very low153 Ų153143.2 Ų143.280%0.80180%0.801SS**  trans85.3133.4164.9-90.771.6000120.5
547H29.6Very low32.1Very low144 Ų144141.2 Ų141.267%0.66780%0.799SS**  trans77.399.7142.1-82.163.1000122.4
548Q30.1Very low31.9Very low145 Ų145141 Ų14168%0.67879%0.794SS**  64.4136.4104.7-87.6-173.3-6.600123.4
549H30.4Very low31.9Very low181 Ų181139.3 Ų139.384%0.83879%0.787SS**  trans91.7119.5140.3-78.9-54.1000122.9
550A31.4Very low32Very low81 Ų81143.3 Ų143.367%0.66979%0.787SS**  trans83.895.113200000121.3
551A32.6Very low32.1Very low93 Ų93140.3 Ų140.377%0.76979%0.785SS**  44.1138.211800000122.2
552L34.4Very low31.8Very low146 Ų146139.9 Ų139.976%0.76479%0.787SS**  175.8145108.9-95.1174.9000113.9
553H31.3Very low32.1Very low170 Ų170141.4 Ų141.479%0.78778%0.783SS**  trans57.9157167-59.4-66.5000117.5
554S33.2Very low31.9Very low105 Ų105146.3 Ų146.373%0.73479%0.792SS**  cis-141.6169.7-9.8-142.90000106.3
555E37.8Very low32Very low258 Ų258141.5 Ų141.5100%1.20678%0.78SS**  cis-144.8017.9-179.6173.412800110.1

Retrieved 555 of 555 residues in 281.3 ms (Link to these results)