A0A096M961_POEFO Loading...

LIM and SH3 protein 1

AlphaFold DB , UniProt , Accession A0A096M961, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 198 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
1M43.3Very low50.8Low247 Ų247167.2 Ų167.2100%1.21783%0.825SS**  0139.60-74172.4174.200108.4
2T49.2Very low50.8Low140 Ų140164.8 Ų164.886%0.85981%0.811SS**PPolyproline II helixtrans-79141.7-179.938.60000111.2N4T2-N4 PolarHBondContact O-N 3.2Å
3L54.3Low50.8Low182 Ų182165.8 Ų165.895%0.95381%0.808SS**PPolyproline II helixtrans-76.1126.3-179.6-133.178.8000110.4
4N49.5Very low51Low122 Ų122168.9 Ų168.965%0.65281%0.806SS**PPolyproline II helixtrans-92.3133.6-171.6-169.4-19.8000111.4T2 K6T2-N4 PolarHBondContact O-N 3.2Å; N4-K6 PolarHBondContact O-N 3.11Å
5M58.1Low51.2Low186 Ų186165.4 Ų165.492%0.91680%0.803SS**  trans-76.651.7-166.8-161.2165.164.900113.7N7M5-N7 PolarHBondContact O-N 2.92Å
6K53Low51.4Low170 Ų170168.4 Ų168.474%0.73981%0.805SS**  trans-86.99.6-168.9-73.8-168.3175.3-176.50116.6N4N4-K6 PolarHBondContact O-N 3.11Å
7N54Low52.1Low160 Ų160162.8 Ų162.886%0.85679%0.787SS**  trans-135.772.7-174.6-83.7-33.8000114.1M5M5-N7 PolarHBondContact O-N 2.92Å
8Y49.6Very low52.3Low223 Ų223162.2 Ų162.288%0.87579%0.788SS**  trans-145.5113.3149.3-154-105.7000111.4
9K49.2Very low52.7Low178 Ų178158.8 Ų158.877%0.77479%0.789SS**  trans-122.185.7178-172.3-175.7179-170.30107.8
10G50.6Low52.9Low38 Ų38158.7 Ų158.739%0.39279%0.786SS.*  trans-57.4148.217100000111.2E12G10-E12 PolarHBondContact O-N 2.88Å
11F47.9Very low53.2Low193 Ų193158.6 Ų158.685%0.84678%0.778SS**THydrogen-bonded Turntrans-54.8131.1179.6-154.6-107.6000109.9K13F11-K13 PolarHBondContact O-N 2.77Å
12E51.4Low54.3Low139 Ų139151.5 Ų151.565%0.6575%0.75SS**THydrogen-bonded Turntrans68.910.5169.5-64.7-173.5-169.700122.2G10 R14G10-E12 PolarHBondContact O-N 2.88Å; E12-R14 PolarHBondContact O-N 3.37Å
13K50.9Low55.1Low178 Ų178153 Ų15377%0.77474%0.744SS**  trans49.523.5156-83.9-159.9176.6-168.40118.3F11F11-K13 PolarHBondContact O-N 2.77Å
14R52.4Low55.8Low209 Ų209148.5 Ų148.579%0.78973%0.725SS**  trans-90.5144.9173.5-71.4178.7179-166.2-0.4110.2E12 Y16E12-R14 PolarHBondContact O-N 3.37Å; R14-Y16 PolarHBondContact O-N 2.76Å
15P54.7Low56.8Low116 Ų116149.8 Ų149.875%0.75373%0.732SS**  trans-61.4131172.326.8-33.2000109C17P15-C17 PolarHBondContact O-N 2.81Å
16Y54.5Low57.1Low214 Ų214149.5 Ų149.584%0.83973%0.726SS**  trans-61.9101.4172.1-93.6-93.7000108.8R14R14-Y16 PolarHBondContact O-N 2.76Å
17C62.9Low57.9Low73 Ų73147.1 Ų147.149%0.49373%0.726SS.*  trans-88.1145.3174.460.10000110.3P15 A19 H20P15-C17 PolarHBondContact O-N 2.81Å; C17-A19 PolarHBondContact O-N 2.89Å; C17-H20 PolarHBondContact O-N 2.96Å
18N56.2Low58.6Low151 Ų151145.5 Ų145.581%0.80773%0.726SS**THydrogen-bonded Turntrans-61.5-14.7-177.1-79-28000114.5H20N18-H20 VanDerWaalsContact C-N 3.33Å
19A59.2Low59.7Low98 Ų98139.1 Ų139.181%0.8171%0.71SS**THydrogen-bonded Turntrans-77.2-17.8171.600000113.3C17C17-A19 PolarHBondContact O-N 2.89Å
20H56.6Low60.6Low156 Ų156134.1 Ų134.172%0.72270%0.702SS**SBendtrans-112.316-177.2-133.7-132.7000112.6C17 N18 P22C17-H20 PolarHBondContact O-N 2.96Å; N18-H20 VanDerWaalsContact C-N 3.33Å; H20-P22 WeakPolarHBondContact O-CD 3.46Å
21Y59.5Low61.7Low158 Ų158137.5 Ų137.562%0.6271%0.711SS**SBendtrans-85.8110.7164.6-166-88.7000108.2K23Y21-K23 PolarHBondContact O-N 2.84Å
22P66.3Low63.5Low97 Ų97130.6 Ų130.663%0.6368%0.684SS**  trans-65.7107.1179.126.7-33.1000109.1H20 T24H20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-T24 PolarHBondContact O-N 3.02Å
23K67.4Low65.2Low171 Ų171129.3 Ų129.374%0.74369%0.688SS**  trans-74.180.1175.6-63.4-176.5-175.7179.60109.3Y21 N25Y21-K23 PolarHBondContact O-N 2.84Å; K23-N25 PolarHBondContact O-N 3.14Å
24T68.3Low66.7Low88 Ų88126.6 Ų126.654%0.5468%0.678SS.*  trans-69.197.3172.339.90000109.3P22 F26P22-T24 PolarHBondContact O-N 3.02Å; T24-F26 HydrophobicContact CG2-CZ 4.38Å; T24-F26 VanDerWaalsContact O-CD2 3.31Å; T24-F26 WeakPolarHBondContact O-CD2 3.13Å; T24-F26 PolarHBondContact O-N 3.38Å; T24-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact OG1-CE2 3.3Å; T24-F26 WeakPolarHBondContact OG1-CE2 3.48Å
25N69.3Low68.3Low150 Ų150120.5 Ų120.580%0.80266%0.661SS**  trans-76.494.6172.4-66.5-35.2000108.7K23 T27K23-N25 PolarHBondContact O-N 3.14Å; N25-T27 PolarHBondContact O-N 3.36Å
26F65.1Low69.8Low179 Ų179118.3 Ų118.379%0.78564%0.643SS**  trans-77.2106.2171.5-59.8-78.9000109.5T24T24-F26 HydrophobicContact CG2-CZ 4.38Å; T24-F26 VanDerWaalsContact O-CD2 3.31Å; T24-F26 WeakPolarHBondContact O-CD2 3.13Å; T24-F26 PolarHBondContact O-N 3.38Å; T24-F26 VanDerWaalsContact O-N 3.09Å; T24-F26 VanDerWaalsContact OG1-CE2 3.3Å; T24-F26 WeakPolarHBondContact OG1-CE2 3.48Å
27T69.8Low71.5Confident121 Ų121115.1 Ų115.174%0.74263%0.629SS**  trans-75.9121.6164.140.90000108.8N25 V29N25-T27 PolarHBondContact O-N 3.36Å; T27-V29 PolarHBondContact O-N 3.25Å
28C69.7Low72.6Confident126 Ų126115.3 Ų115.385%0.85163%0.625SS**  trans-69.398.5170.947.30000109.1A30C28-A30 VanDerWaalsContact C-N 3.34Å; C28-A30 PolarHBondContact O-N 2.87Å
29V71.7Confident74.1Confident89 Ų89113.8 Ų113.854%0.53961%0.611SS.*  trans-70.692.9175.5-178.80000108.4T27 D31 T32T27-V29 PolarHBondContact O-N 3.25Å; V29-D31 PolarHBondContact O-N 3.16Å; V29-T32 HydrophobicContact CB-CG2 3.99Å; V29-T32 HydrophobicContact CG1-CG2 3.96Å; V29-T32 PolarHBondContact O-N 3.49Å; V29-T32 PolarHBondContact O-OG1 3.23Å
30A67.8Low75.5Confident73 Ų73114.9 Ų114.960%0.60360%0.599SS**THydrogen-bonded Turntrans-57-37.2-177.200000112.4C28 T32 N35C28-A30 VanDerWaalsContact C-N 3.34Å; C28-A30 PolarHBondContact O-N 2.87Å; A30-T32 PolarHBondContact O-N 2.85Å; A30-N35 WeakPolarHBondContact O-CB 3.39Å
31D75.2Confident77Confident109 Ų109111 Ų11158%0.58358%0.582SS**THydrogen-bonded Turntrans-98.944.5-178.2-66-51.5000112.6V29 L36V29-D31 PolarHBondContact O-N 3.16Å; D31-L36 VanDerWaalsContact CA-CD1 3.47Å; D31-L36 HydrophobicContact CB-CD1 3.65Å
32T85.3Confident78.4Confident47 Ų47107.9 Ų107.929%0.28858%0.579SS.*  trans-64.9149.4163.9370000110.5V29 A30 E34 N35 L36V29-T32 HydrophobicContact CB-CG2 3.99Å; V29-T32 HydrophobicContact CG1-CG2 3.96Å; V29-T32 PolarHBondContact O-N 3.49Å; V29-T32 PolarHBondContact O-OG1 3.23Å; A30-T32 PolarHBondContact O-N 2.85Å; T32-E34 PolarHBondContact O-N 3.16Å; T32-E34 VanDerWaalsContact O-N 3.14Å; T32-N35 PolarHBondContact O-N 2.94Å; T32-N35 PolarHBondContact OG1-ND2 3.44Å; T32-L36 WeakPolarHBondContact O-CD1 3.34Å; T32-L36 PolarHBondContact O-N 3.47Å
33P85.8Confident79.2Confident112 Ų112108.6 Ų108.673%0.72757%0.572SS**Hα-helixtrans-59.6-30.2-176.822.8-33.9000113R37P33-R37 WeakPolarHBondContact O-CB 3.46Å; P33-R37 PolarHBondContact O-N 2.98Å
34E82.8Confident79.7Confident122 Ų122107.8 Ų107.857%0.5757%0.573SS**Hα-helixtrans-66.5-45.5171.9-176.8174.2-148.900112.5T32 L36 R37 L38T32-E34 PolarHBondContact O-N 3.16Å; T32-E34 VanDerWaalsContact O-N 3.14Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 2.99Å; E34-R37 WeakPolarHBondContact O-CB 3.16Å; E34-R37 PolarHBondContact O-N 3.5Å; E34-L38 HydrophobicContact CG-CD1 4.2Å; E34-L38 PolarHBondContact O-N 2.95Å
35N87.1Confident80.1Confident81 Ų81110.1 Ų110.143%0.43358%0.578SS.*Hα-helixtrans-64.2-36.7176.2-87-81.7000111.8A30 T32 L38 K39A30-N35 WeakPolarHBondContact O-CB 3.39Å; T32-N35 PolarHBondContact O-N 2.94Å; T32-N35 PolarHBondContact OG1-ND2 3.44Å; N35-L38 PolarHBondContact O-N 2.94Å; N35-K39 WeakPolarHBondContact O-CB 3.33Å; N35-K39 PolarHBondContact O-N 2.77Å
36L85.9Confident80.7Confident70 Ų70104.7 Ų104.737%0.36655%0.551SS.*Hα-helixtrans-61.5-45.4171.5-93.368.2000111.6D31 T32 E34 K39 Q40D31-L36 VanDerWaalsContact CA-CD1 3.47Å; D31-L36 HydrophobicContact CB-CD1 3.65Å; T32-L36 WeakPolarHBondContact O-CD1 3.34Å; T32-L36 PolarHBondContact O-N 3.47Å; E34-L36 VanDerWaalsContact C-N 3.32Å; E34-L36 PolarHBondContact O-N 2.99Å; L36-K39 PolarHBondContact O-N 2.94Å; L36-Q40 WeakPolarHBondContact O-CG 3.19Å; L36-Q40 PolarHBondContact O-N 3.2Å
37R89.3Confident80.7Confident146 Ų146104.2 Ų104.255%0.55155%0.551SS**Hα-helixtrans-63-44.7177.8-170-179.570123.5-0.3111.7P33 E34 Q40 Q41P33-R37 WeakPolarHBondContact O-CB 3.46Å; P33-R37 PolarHBondContact O-N 2.98Å; E34-R37 WeakPolarHBondContact O-CB 3.16Å; E34-R37 PolarHBondContact O-N 3.5Å; R37-Q40 PolarHBondContact O-N 3.42Å; R37-Q41 WeakPolarHBondContact O-CB 3.45Å; R37-Q41 PolarHBondContact O-N 3.43Å
38L86.8Confident80.7Confident77 Ų77104 Ų10440%0.40355%0.55SS..Hα-helixtrans-60.2-46.4173.7-99.463.4000111.1E34 N35 Q40 Q41 T42E34-L38 HydrophobicContact CG-CD1 4.2Å; E34-L38 PolarHBondContact O-N 2.95Å; N35-L38 PolarHBondContact O-N 2.94Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.24Å; L38-Q41 PolarHBondContact O-N 2.77Å; L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 3.01Å; L38-T42 PolarHBondContact O-OG1 3.1Å
39K87.7Confident80.4Confident120 Ų120101.8 Ų101.852%0.52253%0.527SS..Hα-helixtrans-60.8-39.2178-172175.3-174.5174.70112.5N35 L36 K43N35-K39 WeakPolarHBondContact O-CB 3.33Å; N35-K39 PolarHBondContact O-N 2.77Å; L36-K39 PolarHBondContact O-N 2.94Å; K39-K43 VanDerWaalsContact O-CG 3.28Å; K39-K43 WeakPolarHBondContact O-CG 3.21Å; K39-K43 PolarHBondContact O-N 2.66Å; K39-K43 VanDerWaalsContact O-N 3.12Å
40Q87.6Confident80Confident120 Ų120106.7 Ų106.756%0.56154%0.537SS*.Hα-helixtrans-66.7-46.9172.4-72.8172.5-8.600111.6L36 R37 L38 K43 M44L36-Q40 WeakPolarHBondContact O-CG 3.19Å; L36-Q40 PolarHBondContact O-N 3.2Å; R37-Q40 PolarHBondContact O-N 3.42Å; L38-Q40 VanDerWaalsContact C-N 3.34Å; L38-Q40 PolarHBondContact O-N 3.24Å; Q40-K43 WeakPolarHBondContact O-CB 3.49Å; Q40-K43 PolarHBondContact O-N 3.42Å; Q40-M44 WeakPolarHBondContact O-CG 3.32Å; Q40-M44 PolarHBondContact O-N 2.82Å
41Q89.3Confident80.3Confident76 Ų76108.9 Ų108.936%0.35553%0.533SS..Hα-helixtrans-62.1-44.9178.9-175173.9-17.500112.1R37 L38 K43 M44 Q45R37-Q41 WeakPolarHBondContact O-CB 3.45Å; R37-Q41 PolarHBondContact O-N 3.43Å; L38-Q41 PolarHBondContact O-N 2.77Å; Q41-K43 VanDerWaalsContact C-N 3.35Å; Q41-K43 PolarHBondContact O-N 3.48Å; Q41-M44 PolarHBondContact O-N 3.01Å; Q41-Q45 HydrophobicContact CG-CG 4.38Å; Q41-Q45 WeakPolarHBondContact O-CB 3.27Å; Q41-Q45 WeakPolarHBondContact O-CG 3.46Å; Q41-Q45 PolarHBondContact O-N 2.79Å
42T87.6Confident80.4Confident91 Ų91107.1 Ų107.156%0.55852%0.521SS*.Hα-helixtrans-61.9-39.5175.2-60.40000111.9L38 Q45 S46L38-T42 WeakPolarHBondContact O-CB 3.49Å; L38-T42 PolarHBondContact O-N 3.01Å; L38-T42 PolarHBondContact O-OG1 3.1Å; T42-Q45 PolarHBondContact O-N 2.82Å; T42-S46 WeakPolarHBondContact O-CB 3.41Å; T42-S46 PolarHBondContact O-N 2.86Å
43K83.1Confident79.5Confident113 Ų113109 Ų10949%0.49153%0.529SS..Hα-helixtrans-60-50.2172.7-78.7176.3174.7-163.90111.5K39 Q40 Q41 Q45 S46K39-K43 VanDerWaalsContact O-CG 3.28Å; K39-K43 WeakPolarHBondContact O-CG 3.21Å; K39-K43 PolarHBondContact O-N 2.66Å; K39-K43 VanDerWaalsContact O-N 3.12Å; Q40-K43 WeakPolarHBondContact O-CB 3.49Å; Q40-K43 PolarHBondContact O-N 3.42Å; Q41-K43 VanDerWaalsContact C-N 3.35Å; Q41-K43 PolarHBondContact O-N 3.48Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 2.9Å; K43-S46 PolarHBondContact O-N 3.04Å; K43-S46 PolarHBondContact O-OG 3.4Å
44M79.1Confident78.7Confident154 Ų154109.7 Ų109.776%0.75952%0.521SS*.Hα-helixtrans-63.5-34.8179-67.9-174.8-65.100113.2Q40 Q41 S46Q40-M44 WeakPolarHBondContact O-CG 3.32Å; Q40-M44 PolarHBondContact O-N 2.82Å; Q41-M44 PolarHBondContact O-N 3.01Å; M44-S46 VanDerWaalsContact C-N 3.35Å
45Q76.6Confident78.3Confident137 Ų137108.9 Ų108.964%0.6452%0.517SS*.Hα-helixtrans-82.9-9.1177.9-69.4-177.2-1200113.5Q41 T42 K43 Q47Q41-Q45 HydrophobicContact CG-CG 4.38Å; Q41-Q45 WeakPolarHBondContact O-CB 3.27Å; Q41-Q45 WeakPolarHBondContact O-CG 3.46Å; Q41-Q45 PolarHBondContact O-N 2.79Å; T42-Q45 PolarHBondContact O-N 2.82Å; K43-Q45 VanDerWaalsContact C-N 3.33Å; K43-Q45 PolarHBondContact O-N 2.9Å; Q45-Q47 PolarHBondContact O-N 2.85Å
46S80.7Confident77.6Confident35 Ų35109.6 Ų109.625%0.24552%0.517CS..  trans-74.9120.8-176.672.60000111.8T42 K43 M44 V48 H49 Y50T42-S46 WeakPolarHBondContact O-CB 3.41Å; T42-S46 PolarHBondContact O-N 2.86Å; K43-S46 PolarHBondContact O-N 3.04Å; K43-S46 PolarHBondContact O-OG 3.4Å; M44-S46 VanDerWaalsContact C-N 3.35Å; S46-V48 PolarHBondContact O-N 3.03Å; S46-V48 VanDerWaalsContact O-N 3.12Å; S46-H49 PolarHBondContact O-N 2.88Å; S46-Y50 PolarHBondContact O-N 3.5Å
47Q65Low76.8Confident169 Ų169111.1 Ų111.179%0.7953%0.525SS*.Hα-helixtrans-62.2-19.8175.7-62.4179.316.600112.6Q45 K51Q45-Q47 PolarHBondContact O-N 2.85Å; Q47-K51 WeakPolarHBondContact O-CB 3.5Å; Q47-K51 PolarHBondContact O-N 3.2Å
48V70.3Confident75.8Confident117 Ų117111.5 Ų111.571%0.70953%0.531SS*.Hα-helixtrans-68-49.4176.6-178.60000111.1S46 Y50 K51 E52S46-V48 PolarHBondContact O-N 3.03Å; S46-V48 VanDerWaalsContact O-N 3.12Å; V48-Y50 VanDerWaalsContact C-N 3.34Å; V48-Y50 PolarHBondContact O-N 3.36Å; V48-K51 PolarHBondContact O-N 3.47Å; V48-E52 WeakPolarHBondContact O-CB 3.33Å; V48-E52 PolarHBondContact O-N 3.29Å
49H64.3Low74.7Confident80 Ų80111.5 Ų111.537%0.3755%0.55SS..Hα-helixtrans-63.7-40.1173.3-90.9-37000111.8S46 K51 E52 D53S46-H49 PolarHBondContact O-N 2.88Å; H49-K51 VanDerWaalsContact C-N 3.27Å; H49-K51 PolarHBondContact O-N 3.47Å; H49-E52 IonicContact CE1-OE2 2.68Å; H49-E52 PolarHBondContact CE1-OE2 2.98Å; H49-E52 IonicContact CG-OE2 3.92Å; H49-E52 IonicContact ND1-OE2 3.76Å; H49-E52 PolarHBondContact ND1-OE2 2.87Å; H49-E52 WeakPolarHBondContact O-CB 3.49Å; H49-E52 PolarHBondContact O-N 3.36Å; H49-E52 VanDerWaalsContact O-N 3.13Å; H49-D53 PolarHBondContact O-N 3.28Å; H49-D53 VanDerWaalsContact O-N 3.15Å
50Y63.5Low73.6Confident192 Ų192112.6 Ų112.675%0.75355%0.554SS**Hα-helixtrans-58.2-39.9176-175.3-97000112.4S46 V48 F54S46-Y50 PolarHBondContact O-N 3.5Å; V48-Y50 VanDerWaalsContact C-N 3.34Å; V48-Y50 PolarHBondContact O-N 3.36Å; Y50-F54 PolarHBondContact O-N 3.17Å
51K73.6Confident72.1Confident118 Ų118109.9 Ų109.951%0.51356%0.559SS.*Hα-helixtrans-76.4-30.9175.9-166.8172.5-175-101.80112.8Q47 V48 H49 F54 E55Q47-K51 WeakPolarHBondContact O-CB 3.5Å; Q47-K51 PolarHBondContact O-N 3.2Å; V48-K51 PolarHBondContact O-N 3.47Å; H49-K51 VanDerWaalsContact C-N 3.27Å; H49-K51 PolarHBondContact O-N 3.47Å; K51-F54 PolarHBondContact O-N 3.04Å; K51-E55 VanDerWaalsContact CE-OE1 3.25Å; K51-E55 WeakPolarHBondContact CE-OE1 3.22Å; K51-E55 HydrophobicContact CG-CG 4.3Å; K51-E55 IonicContact NZ-OE1 3.28Å; K51-E55 PolarHBondContact NZ-OE1 3.18Å; K51-E55 WeakPolarHBondContact O-CB 3.44Å; K51-E55 WeakPolarHBondContact O-CG 3.34Å; K51-E55 PolarHBondContact O-N 3.17Å
52E77.6Confident70.3Confident72 Ų72115.2 Ų115.234%0.33658%0.581SS.*Hα-helixtrans-61.8-46.5177.1-169.4-165.3161.600111.6V48 H49 E55 K56V48-E52 WeakPolarHBondContact O-CB 3.33Å; V48-E52 PolarHBondContact O-N 3.29Å; H49-E52 IonicContact CE1-OE2 2.68Å; H49-E52 PolarHBondContact CE1-OE2 2.98Å; H49-E52 IonicContact CG-OE2 3.92Å; H49-E52 IonicContact ND1-OE2 3.76Å; H49-E52 PolarHBondContact ND1-OE2 2.87Å; H49-E52 WeakPolarHBondContact O-CB 3.49Å; H49-E52 PolarHBondContact O-N 3.36Å; H49-E52 VanDerWaalsContact O-N 3.13Å; E52-E55 PolarHBondContact O-N 3.31Å; E52-K56 HydrophobicContact CG-CD 4.43Å; E52-K56 WeakPolarHBondContact O-CB 3.26Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.45Å; E52-K56 PolarHBondContact O-N 3.02Å; E52-K56 WeakPolarHBondContact OE1-CE 3.22Å; E52-K56 IonicContact OE1-NZ 2.75Å; E52-K56 PolarHBondContact OE1-NZ 3Å; E52-K56 IonicContact OE2-NZ 2.62Å
53D66.6Low68.9Low87 Ų87115.2 Ų115.247%0.46559%0.585SS.*Hα-helixtrans-70.6-33.5177.5-69.6-21.8000112.1H49 K56 N57H49-D53 PolarHBondContact O-N 3.28Å; H49-D53 VanDerWaalsContact O-N 3.15Å; D53-K56 IonicContact OD1-NZ 3.95Å; D53-K56 PolarHBondContact OD1-NZ 3.17Å; D53-K56 VanDerWaalsContact OD1-NZ 3.11Å; D53-N57 WeakPolarHBondContact O-CB 3.46Å; D53-N57 PolarHBondContact O-N 3.18Å
54F69Low67.8Low127 Ų127115.2 Ų115.256%0.55759%0.594SS**Hα-helixtrans-61.7-46.4168.8179.9-104000111.7Y50 K51 N57 K58Y50-F54 PolarHBondContact O-N 3.17Å; K51-F54 PolarHBondContact O-N 3.04Å; F54-N57 CarbonylContact O-C 3.55Å; F54-N57 PolarHBondContact O-N 3.39Å; F54-K58 HydrophobicContact CE1-CD 3.88Å; F54-K58 HydrophobicContact CZ-CD 4.35Å; F54-K58 WeakPolarHBondContact O-CB 3.49Å; F54-K58 PolarHBondContact O-N 3.41Å
55E73.6Confident67Low104 Ų104111.9 Ų111.949%0.48658%0.582SS.*Hα-helixtrans-69.1-38.2179.6-75.6177.1177.100112.8K51 E52 N57 K58K51-E55 VanDerWaalsContact CE-OE1 3.25Å; K51-E55 WeakPolarHBondContact CE-OE1 3.22Å; K51-E55 HydrophobicContact CG-CG 4.3Å; K51-E55 IonicContact NZ-OE1 3.28Å; K51-E55 PolarHBondContact NZ-OE1 3.18Å; K51-E55 WeakPolarHBondContact O-CB 3.44Å; K51-E55 WeakPolarHBondContact O-CG 3.34Å; K51-E55 PolarHBondContact O-N 3.17Å; E52-E55 PolarHBondContact O-N 3.31Å; E55-N57 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 3.37Å
56K72.9Confident66.2Low97 Ų97107.7 Ų107.742%0.42257%0.571SS.*Hα-helixtrans-60.5-26.5171.4-76.5169.6-172.2154.50113.3E52 D53 K60E52-K56 HydrophobicContact CG-CD 4.43Å; E52-K56 WeakPolarHBondContact O-CB 3.26Å; E52-K56 VanDerWaalsContact O-CG 3.27Å; E52-K56 WeakPolarHBondContact O-CG 3.45Å; E52-K56 PolarHBondContact O-N 3.02Å; E52-K56 WeakPolarHBondContact OE1-CE 3.22Å; E52-K56 IonicContact OE1-NZ 2.75Å; E52-K56 PolarHBondContact OE1-NZ 3Å; E52-K56 IonicContact OE2-NZ 2.62Å; D53-K56 IonicContact OD1-NZ 3.95Å; D53-K56 PolarHBondContact OD1-NZ 3.17Å; D53-K56 VanDerWaalsContact OD1-NZ 3.11Å; K56-K60 VanDerWaalsContact O-CD 3.27Å; K56-K60 WeakPolarHBondContact O-CD 3.44Å; K56-K60 WeakPolarHBondContact O-CE 3.25Å; K56-K60 PolarHBondContact O-NZ 3.12Å
57N68.5Low65.4Low101 Ų101111.1 Ų111.154%0.5459%0.587SS.*Hα-helixtrans-103.3-18.3-178-68.49.7000112.3D53 F54 E55 G59 K60D53-N57 WeakPolarHBondContact O-CB 3.46Å; D53-N57 PolarHBondContact O-N 3.18Å; F54-N57 CarbonylContact O-C 3.55Å; F54-N57 PolarHBondContact O-N 3.39Å; E55-N57 PolarHBondContact O-N 2.94Å; N57-G59 VanDerWaalsContact C-N 3.27Å; N57-G59 PolarHBondContact O-N 3.04Å; N57-K60 PolarHBondContact O-N 2.98Å; N57-K60 VanDerWaalsContact O-N 3.13Å; N57-K60 VanDerWaalsContact O-O 3.1Å
58K68.6Low66.1Low154 Ų154105.5 Ų105.567%0.6756%0.564SS**THydrogen-bonded Turntrans-73.176175.2-170.7-171.5-176.9-175.10111.3F54 E55F54-K58 HydrophobicContact CE1-CD 3.88Å; F54-K58 HydrophobicContact CZ-CD 4.35Å; F54-K58 WeakPolarHBondContact O-CB 3.49Å; F54-K58 PolarHBondContact O-N 3.41Å; E55-K58 PolarHBondContact O-N 3.37Å
59G64.3Low66.7Low78 Ų78104.2 Ų104.280%0.80456%0.558SS**THydrogen-bonded Turntrans144.7-22.2-177.200000112.3N57 G61N57-G59 VanDerWaalsContact C-N 3.27Å; N57-G59 PolarHBondContact O-N 3.04Å; G59-G61 PolarHBondContact O-N 2.73Å; G59-G61 VanDerWaalsContact O-N 3.14Å
60K62.9Low67.3Low142 Ų142106 Ų10662%0.61757%0.567SS**SBendtrans-75.697158.4-62.1175.7-171.4156.10106.1K56 N57K56-K60 VanDerWaalsContact O-CD 3.27Å; K56-K60 WeakPolarHBondContact O-CD 3.44Å; K56-K60 WeakPolarHBondContact O-CE 3.25Å; K56-K60 PolarHBondContact O-NZ 3.12Å; N57-K60 PolarHBondContact O-N 2.98Å; N57-K60 VanDerWaalsContact O-N 3.13Å; N57-K60 VanDerWaalsContact O-O 3.1Å
61G56Low68.3Low64 Ų6499.7 Ų99.766%0.6655%0.545SS*.  trans-50.9155.5176.300000111.1G59 S63G59-G61 PolarHBondContact O-N 2.73Å; G59-G61 VanDerWaalsContact O-N 3.14Å; G61-S63 VanDerWaalsContact C-N 3.31Å; G61-S63 PolarHBondContact O-N 3.23Å
62F53.2Low68.7Low188 Ų18897.7 Ų97.783%0.82554%0.538SS*.  trans-50.892.3-176.3-179.3-96.7000111.1V64F62-V64 HydrophobicContact CD1-CG2 4.22Å; F62-V64 HydrophobicContact CE1-CG2 4.08Å; F62-V64 PolarHBondContact O-N 2.83Å
63S57Low69.3Low90 Ų90101.4 Ų101.463%0.62955%0.549SS*.  trans-73.3103.1173.7179.50000105.2G61 V65G61-S63 VanDerWaalsContact C-N 3.31Å; G61-S63 PolarHBondContact O-N 3.23Å; S63-V65 PolarHBondContact O-N 2.66Å
64V60.3Low70.2Confident114 Ų114101.8 Ų101.869%0.69155%0.55SS**  trans-44.4115.8169.8173.40000106.6F62 A66F62-V64 HydrophobicContact CD1-CG2 4.22Å; F62-V64 HydrophobicContact CE1-CG2 4.08Å; F62-V64 PolarHBondContact O-N 2.83Å; V64-A66 PolarHBondContact O-N 2.9Å
65V62Low71Confident83 Ų83100.3 Ų100.350%0.50354%0.543SS..  trans-51.5100.3-158.6179.60000110.2S63 D67 T68S63-V65 PolarHBondContact O-N 2.66Å; V65-D67 PolarHBondContact O-N 2.86Å; V65-T68 HydrophobicContact CB-CG2 3.74Å; V65-T68 HydrophobicContact CG1-CG2 3.83Å; V65-T68 PolarHBondContact O-N 3.22Å
66A60.2Low71.6Confident49 Ų49101.7 Ų101.741%0.40555%0.548SS..THydrogen-bonded Turntrans-63.8-17.5-169.700000113.2V64 L71V64-A66 PolarHBondContact O-N 2.9Å; A66-L71 WeakPolarHBondContact O-CD2 3.47Å
67D64.3Low72.3Confident108 Ų108100.6 Ų100.658%0.57855%0.549SS*.THydrogen-bonded Turntrans-123.542-177.5-68.9-59.6000112.2V65 Q72V65-D67 PolarHBondContact O-N 2.86Å; D67-Q72 PolarHBondContact OD1-NE2 3.01Å
68T80.3Confident73.1Confident50 Ų50101.9 Ų101.931%0.30755%0.552SS.*  trans-60.5140.2160.268.30000108.2V65 E70 L71 Q72V65-T68 HydrophobicContact CB-CG2 3.74Å; V65-T68 HydrophobicContact CG1-CG2 3.83Å; V65-T68 PolarHBondContact O-N 3.22Å; T68-E70 PolarHBondContact O-N 2.89Å; T68-L71 PolarHBondContact O-N 3.41Å; T68-L71 VanDerWaalsContact O-N 3.09Å; T68-L71 WeakPolarHBondContact OG1-CB 3.44Å; T68-L71 PolarHBondContact OG1-N 2.79Å; T68-Q72 PolarHBondContact O-N 2.75Å
69P80.9Confident73.7Confident90 Ų9098 Ų9858%0.58454%0.539SS*.Hα-helixtrans-62.7-16.917925.7-34.9000112.2R73P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.49Å; P69-R73 PolarHBondContact O-NE 2.68Å
70E77.7Confident74.4Confident119 Ų119100.6 Ų100.656%0.55653%0.53SS*.Hα-helixtrans-77.3-49.5171.4-176.6165.4-145.200112.7T68 Q72 R73 I74T68-E70 PolarHBondContact O-N 2.89Å; E70-Q72 PolarHBondContact O-N 3.45Å; E70-R73 WeakPolarHBondContact O-CA 3.38Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 2.83Å; E70-I74 HydrophobicContact CG-CD1 4.05Å; E70-I74 WeakPolarHBondContact O-CG1 3.34Å; E70-I74 PolarHBondContact O-N 3.03Å
71L84.6Confident75.2Confident58 Ų5899.4 Ų99.430%0.30453%0.529SS..Hα-helixtrans-61.6-35.1176.7-177.256.9000111.7A66 T68 I74 K75A66-L71 WeakPolarHBondContact O-CD2 3.47Å; T68-L71 PolarHBondContact O-N 3.41Å; T68-L71 VanDerWaalsContact O-N 3.09Å; T68-L71 WeakPolarHBondContact OG1-CB 3.44Å; T68-L71 PolarHBondContact OG1-N 2.79Å; L71-I74 PolarHBondContact O-N 3.45Å; L71-K75 HydrophobicContact CD1-CD 4.49Å; L71-K75 HydrophobicContact CD1-CG 4.39Å; L71-K75 HydrophobicContact CG-CD 4.29Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 WeakPolarHBondContact O-CG 3.36Å; L71-K75 PolarHBondContact O-N 3.44Å
72Q82.9Confident76.2Confident77 Ų7798.3 Ų98.336%0.3651%0.511SS..Hα-helixtrans-66.4-32.4172-69.6-171.4-7.800113.5D67 T68 E70 K76D67-Q72 PolarHBondContact OD1-NE2 3.01Å; T68-Q72 PolarHBondContact O-N 2.75Å; E70-Q72 PolarHBondContact O-N 3.45Å; Q72-K76 VanDerWaalsContact O-CG 3.27Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 2.96Å
73R88.6Confident77.1Confident150 Ų15095.7 Ų95.757%0.56651%0.506SS*.Hα-helixtrans-69.5-48.4172.2-76.8-177.3-61.8-108.76.1110.7P69 E70 K75 K76 T77P69-R73 WeakPolarHBondContact O-CG 3.42Å; P69-R73 PolarHBondContact O-N 3.49Å; P69-R73 PolarHBondContact O-NE 2.68Å; E70-R73 WeakPolarHBondContact O-CA 3.38Å; E70-R73 WeakPolarHBondContact O-CB 3.38Å; E70-R73 PolarHBondContact O-N 2.83Å; R73-K75 PolarHBondContact O-N 2.8Å; R73-K76 PolarHBondContact O-N 2.93Å; R73-T77 PolarHBondContact O-N 3.27Å; R73-T77 PolarHBondContact O-OG1 2.87Å
74I85.7Confident77.7Confident95 Ų9597.6 Ų97.649%0.48751%0.507SS..Hα-helixtrans-57.7-49.4-179.5-65.5165.7000110.6E70 L71 K76 T77 Q78E70-I74 HydrophobicContact CG-CD1 4.05Å; E70-I74 WeakPolarHBondContact O-CG1 3.34Å; E70-I74 PolarHBondContact O-N 3.03Å; L71-I74 PolarHBondContact O-N 3.45Å; I74-K76 PolarHBondContact O-N 2.93Å; I74-T77 PolarHBondContact O-N 2.96Å; I74-Q78 WeakPolarHBondContact O-CB 3.17Å; I74-Q78 PolarHBondContact O-N 3.2Å
75K86.3Confident78.2Confident95 Ų9595.4 Ų95.441%0.41349%0.489SS..Hα-helixtrans-57.6-44176.5-74.1172.6178172.20112.9L71 R73 Q78 D79L71-K75 HydrophobicContact CD1-CD 4.49Å; L71-K75 HydrophobicContact CD1-CG 4.39Å; L71-K75 HydrophobicContact CG-CD 4.29Å; L71-K75 WeakPolarHBondContact O-CB 3.49Å; L71-K75 WeakPolarHBondContact O-CG 3.36Å; L71-K75 PolarHBondContact O-N 3.44Å; R73-K75 PolarHBondContact O-N 2.8Å; K75-Q78 PolarHBondContact O-N 3.25Å; K75-D79 WeakPolarHBondContact O-CB 2.86Å; K75-D79 PolarHBondContact O-N 3.21Å
76K86.8Confident78.5Confident134 Ų13498.4 Ų98.458%0.58349%0.492SS*.Hα-helixtrans-64.2-43.1177.5-75.2173.9-177.1178.80112.3Q72 R73 I74 D79 Q80Q72-K76 VanDerWaalsContact O-CG 3.27Å; Q72-K76 WeakPolarHBondContact O-CG 3.38Å; Q72-K76 PolarHBondContact O-N 2.96Å; R73-K76 PolarHBondContact O-N 2.93Å; I74-K76 PolarHBondContact O-N 2.93Å; K76-D79 WeakPolarHBondContact O-CB 3.21Å; K76-D79 PolarHBondContact O-N 3.4Å; K76-Q80 WeakPolarHBondContact O-CB 3.4Å; K76-Q80 VanDerWaalsContact O-CG 3.26Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 2.97Å; K76-Q80 PolarHBondContact O-OE1 3.4Å
77T86.8Confident79.1Confident73 Ų73102 Ų10245%0.44850%0.5SS..Hα-helixtrans-66-40.7177.2-58.80000111.3R73 I74 Q80 I81R73-T77 PolarHBondContact O-N 3.27Å; R73-T77 PolarHBondContact O-OG1 2.87Å; I74-T77 PolarHBondContact O-N 2.96Å; T77-Q80 PolarHBondContact O-N 3.3Å; T77-I81 HydrophobicContact CG2-CD1 3.68Å; T77-I81 WeakPolarHBondContact O-CD1 3.27Å; T77-I81 VanDerWaalsContact O-CG1 3.25Å; T77-I81 WeakPolarHBondContact O-CG1 3.38Å; T77-I81 PolarHBondContact O-N 2.69Å
78Q85.6Confident79.8Confident129 Ų129101.5 Ų101.560%0.60349%0.494SS*.Hα-helixtrans-60.3-49.3174.8-176.617912.700111.6I74 K75 Q80 I81 S82I74-Q78 WeakPolarHBondContact O-CB 3.17Å; I74-Q78 PolarHBondContact O-N 3.2Å; K75-Q78 PolarHBondContact O-N 3.25Å; Q78-Q80 VanDerWaalsContact C-N 3.31Å; Q78-Q80 PolarHBondContact O-N 2.94Å; Q78-I81 PolarHBondContact O-N 2.77Å; Q78-I81 VanDerWaalsContact O-N 3.17Å; Q78-S82 PolarHBondContact O-N 3.4Å
79D82.1Confident79.3Confident73 Ų73102.8 Ų102.839%0.3950%0.499SS..Hα-helixtrans-53.3-47.4174.1-85.83.3000111.7K75 K76 I81 S82 K85K75-D79 WeakPolarHBondContact O-CB 2.86Å; K75-D79 PolarHBondContact O-N 3.21Å; K76-D79 WeakPolarHBondContact O-CB 3.21Å; K76-D79 PolarHBondContact O-N 3.4Å; D79-I81 PolarHBondContact O-N 3.17Å; D79-S82 PolarHBondContact O-N 2.88Å; D79-S82 PolarHBondContact O-OG 2.82Å; D79-K85 HydrophobicContact CB-CD 4.03Å; D79-K85 IonicContact OD1-NZ 2.66Å; D79-K85 IonicContact OD2-NZ 3.04Å; D79-K85 PolarHBondContact OD2-NZ 2.93Å
80Q78.4Confident78.9Confident132 Ų132104.3 Ų104.362%0.61750%0.497SS*.Hα-helixtrans-69.6-14.7-177.8-74.6178.7-57.400114.8K76 T77 Q78 Y86K76-Q80 WeakPolarHBondContact O-CB 3.4Å; K76-Q80 VanDerWaalsContact O-CG 3.26Å; K76-Q80 WeakPolarHBondContact O-CG 3.37Å; K76-Q80 PolarHBondContact O-N 2.97Å; K76-Q80 PolarHBondContact O-OE1 3.4Å; T77-Q80 PolarHBondContact O-N 3.3Å; Q78-Q80 VanDerWaalsContact C-N 3.31Å; Q78-Q80 PolarHBondContact O-N 2.94Å; Q80-Y86 WeakPolarHBondContact O-CE2 3.4Å; Q80-Y86 PolarHBondContact O-OH 3.09Å
81I79.1Confident78.5Confident117 Ų117102 Ų10260%0.649%0.486SS*.Hα-helixtrans-104-23180-66.7169.5000111.2T77 Q78 D79 N83T77-I81 HydrophobicContact CG2-CD1 3.68Å; T77-I81 WeakPolarHBondContact O-CD1 3.27Å; T77-I81 VanDerWaalsContact O-CG1 3.25Å; T77-I81 WeakPolarHBondContact O-CG1 3.38Å; T77-I81 PolarHBondContact O-N 2.69Å; Q78-I81 PolarHBondContact O-N 2.77Å; Q78-I81 VanDerWaalsContact O-N 3.17Å; D79-I81 PolarHBondContact O-N 3.17Å; I81-N83 PolarHBondContact O-N 3.26Å
82S78.4Confident78.2Confident40 Ų40105.2 Ų105.228%0.2850%0.497SS..  trans-68115.1-173.565.90000113.8Q78 D79 I84 K85 Y86Q78-S82 PolarHBondContact O-N 3.4Å; D79-S82 PolarHBondContact O-N 2.88Å; D79-S82 PolarHBondContact O-OG 2.82Å; S82-I84 PolarHBondContact O-N 3.11Å; S82-I84 VanDerWaalsContact O-N 3.17Å; S82-K85 PolarHBondContact O-N 2.92Å; S82-K85 VanDerWaalsContact OG-CB 3.22Å; S82-K85 WeakPolarHBondContact OG-CB 3.27Å; S82-Y86 WeakPolarHBondContact O-CD2 3.35Å; S82-Y86 PolarHBondContact O-N 3.38Å
83N70.7Confident77.5Confident134 Ų134108.8 Ų108.872%0.71752%0.516SS*.Hα-helixtrans-58.3-29.3179.2-73.1-17.2000113.5I81 Y86 H87I81-N83 PolarHBondContact O-N 3.26Å; N83-Y86 PolarHBondContact O-N 2.82Å; N83-H87 PolarHBondContact O-N 2.81Å; N83-H87 VanDerWaalsContact O-N 3.16Å
84I70.6Confident76.9Confident129 Ų129107.5 Ų107.566%0.66252%0.515SS*.Hα-helixtrans-63.9-50.5178.6-53.1177.2000109.3S82 Y86 H87 E88S82-I84 PolarHBondContact O-N 3.11Å; S82-I84 VanDerWaalsContact O-N 3.17Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 PolarHBondContact O-N 3.31Å; I84-H87 WeakPolarHBondContact O-CA 3.37Å; I84-H87 WeakPolarHBondContact O-CB 3.29Å; I84-H87 PolarHBondContact O-N 3.23Å; I84-E88 WeakPolarHBondContact O-CG 3.44Å; I84-E88 PolarHBondContact O-N 2.83Å
85K69.8Low75.8Confident69 Ų69108.4 Ų108.430%0.353%0.525SS..Hα-helixtrans-62.1-37.3178.4-168.2161.7-177.3155.10113D79 S82 H87 E88 D89D79-K85 HydrophobicContact CB-CD 4.03Å; D79-K85 IonicContact OD1-NZ 2.66Å; D79-K85 IonicContact OD2-NZ 3.04Å; D79-K85 PolarHBondContact OD2-NZ 2.93Å; S82-K85 PolarHBondContact O-N 2.92Å; S82-K85 VanDerWaalsContact OG-CB 3.22Å; S82-K85 WeakPolarHBondContact OG-CB 3.27Å; K85-H87 VanDerWaalsContact C-N 3.32Å; K85-H87 PolarHBondContact O-N 2.92Å; K85-E88 WeakPolarHBondContact CA-OE1 3.48Å; K85-E88 PolarHBondContact O-N 3.04Å; K85-D89 PolarHBondContact O-N 2.85Å
86Y68.6Low74.5Confident146 Ų146107.2 Ų107.257%0.57354%0.54SS*.Hα-helixtrans-59.1-40.8170.6-83.6-76.1000112.8Q80 S82 N83 I84 F90Q80-Y86 WeakPolarHBondContact O-CE2 3.4Å; Q80-Y86 PolarHBondContact O-OH 3.09Å; S82-Y86 WeakPolarHBondContact O-CD2 3.35Å; S82-Y86 PolarHBondContact O-N 3.38Å; N83-Y86 PolarHBondContact O-N 2.82Å; I84-Y86 VanDerWaalsContact C-N 3.33Å; I84-Y86 PolarHBondContact O-N 3.31Å; Y86-F90 WeakPolarHBondContact O-CB 3.46Å; Y86-F90 PolarHBondContact O-N 3.03Å
87H72.2Confident72.6Confident125 Ų125104.5 Ų104.558%0.57954%0.542SS*.Hα-helixtrans-72.5-38.8178.4-120.879.9000112.3N83 I84 K85 F90 E91N83-H87 PolarHBondContact O-N 2.81Å; N83-H87 VanDerWaalsContact O-N 3.16Å; I84-H87 WeakPolarHBondContact O-CA 3.37Å; I84-H87 WeakPolarHBondContact O-CB 3.29Å; I84-H87 PolarHBondContact O-N 3.23Å; K85-H87 VanDerWaalsContact C-N 3.32Å; K85-H87 PolarHBondContact O-N 2.92Å; H87-F90 PolarHBondContact O-N 3.45Å; H87-E91 PolarHBondContact O-N 2.8Å
88E79.1Confident70.7Confident97 Ų97109.1 Ų109.145%0.45356%0.564SS.*Hα-helixtrans-57.9-49.4173.3-67.6169.7-121.200111.9I84 K85 K92I84-E88 WeakPolarHBondContact O-CG 3.44Å; I84-E88 PolarHBondContact O-N 2.83Å; K85-E88 WeakPolarHBondContact CA-OE1 3.48Å; K85-E88 PolarHBondContact O-N 3.04Å; E88-K92 WeakPolarHBondContact O-CG 3.2Å; E88-K92 PolarHBondContact O-N 3.03Å
89D69.8Low68.7Low77 Ų77107 Ų10741%0.41257%0.568SS.*Hα-helixtrans-74.8-28.3-178.1-71.7-20.6000112K85 K92 M93K85-D89 PolarHBondContact O-N 2.85Å; D89-K92 IonicContact OD1-NZ 3.67Å; D89-K92 PolarHBondContact OD1-NZ 3.47Å; D89-M93 WeakPolarHBondContact O-CB 3.27Å; D89-M93 PolarHBondContact O-N 2.59Å
90F73.7Confident67.9Low121 Ų121109.2 Ų109.253%0.53159%0.587SS.*Hα-helixtrans-65.3-48.5169.9178.5-100.7000112.3Y86 H87 K92 M93 K94Y86-F90 WeakPolarHBondContact O-CB 3.46Å; Y86-F90 PolarHBondContact O-N 3.03Å; H87-F90 PolarHBondContact O-N 3.45Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.21Å; F90-M93 PolarHBondContact O-N 3Å; F90-K94 HydrophobicContact CE1-CD 4.39Å; F90-K94 WeakPolarHBondContact O-CB 3.46Å; F90-K94 PolarHBondContact O-N 2.81Å
91E69.3Low65.8Low72 Ų72112.7 Ų112.734%0.33660%0.596SS.*Hα-helixtrans-68.1-31.5177.1-70.3-64.812200111.9H87 K94 T95H87-E91 PolarHBondContact O-N 2.8Å; E91-K94 WeakPolarHBondContact OE1-CD 3.44Å; E91-K94 IonicContact OE1-NZ 3.03Å; E91-K94 PolarHBondContact OE1-NZ 2.99Å; E91-K94 IonicContact OE2-NZ 2.68Å; E91-K94 PolarHBondContact OE2-NZ 3.06Å; E91-T95 WeakPolarHBondContact O-CB 3.44Å; E91-T95 WeakPolarHBondContact O-CG2 3.37Å; E91-T95 PolarHBondContact O-N 2.88Å; E91-T95 PolarHBondContact O-OG1 3.46Å
92K77.3Confident64.3Low124 Ų124116 Ų11654%0.53961%0.609SS.*Hα-helixtrans-62.9-43.5167.8-78.3173.9-165.8149.90112.9E88 D89 F90 K94 T95 G96E88-K92 WeakPolarHBondContact O-CG 3.2Å; E88-K92 PolarHBondContact O-N 3.03Å; D89-K92 IonicContact OD1-NZ 3.67Å; D89-K92 PolarHBondContact OD1-NZ 3.47Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.21Å; K92-K94 VanDerWaalsContact C-N 3.35Å; K92-T95 WeakPolarHBondContact CA-OG1 3.4Å; K92-T95 PolarHBondContact O-N 2.86Å; K92-T95 PolarHBondContact O-OG1 3.26Å; K92-T95 VanDerWaalsContact O-OG1 3.12Å; K92-G96 PolarHBondContact O-N 2.69Å
93M69.1Low62.7Low152 Ų152118.3 Ų118.375%0.74962%0.623SS**Hα-helixtrans-64.9-41.8177.9-173.4119.77000111.2D89 F90 G96D89-M93 WeakPolarHBondContact O-CB 3.27Å; D89-M93 PolarHBondContact O-N 2.59Å; F90-M93 PolarHBondContact O-N 3Å; M93-G96 PolarHBondContact O-N 3.36Å
94K75.4Confident60.7Low123 Ų123117.4 Ų117.454%0.53563%0.627SS.*Hα-helixtrans-65.4-35.3177.1179.6-172.2173.7-162.10113.4F90 E91 K92 G96F90-K94 HydrophobicContact CE1-CD 4.39Å; F90-K94 WeakPolarHBondContact O-CB 3.46Å; F90-K94 PolarHBondContact O-N 2.81Å; E91-K94 WeakPolarHBondContact OE1-CD 3.44Å; E91-K94 IonicContact OE1-NZ 3.03Å; E91-K94 PolarHBondContact OE1-NZ 2.99Å; E91-K94 IonicContact OE2-NZ 2.68Å; E91-K94 PolarHBondContact OE2-NZ 3.06Å; K92-K94 VanDerWaalsContact C-N 3.35Å; K94-G96 VanDerWaalsContact C-N 3.29Å
95T63.9Low59.6Low115 Ų115118.1 Ų118.171%0.70663%0.632SS**Hα-helixtrans-79.6-8.9175.7470000113.8E91 K92E91-T95 WeakPolarHBondContact O-CB 3.44Å; E91-T95 WeakPolarHBondContact O-CG2 3.37Å; E91-T95 PolarHBondContact O-N 2.88Å; E91-T95 PolarHBondContact O-OG1 3.46Å; K92-T95 WeakPolarHBondContact CA-OG1 3.4Å; K92-T95 PolarHBondContact O-N 2.86Å; K92-T95 PolarHBondContact O-OG1 3.26Å; K92-T95 VanDerWaalsContact O-OG1 3.12Å
96G58.1Low58Low70 Ų70120.8 Ų120.872%0.72266%0.656SS**THydrogen-bonded Turntrans-90.80.1176.400000115.8K92 M93 K94K92-G96 PolarHBondContact O-N 2.69Å; M93-G96 PolarHBondContact O-N 3.36Å; K94-G96 VanDerWaalsContact C-N 3.29Å
97A47.6Very low56.2Low77 Ų77120.2 Ų120.264%0.63666%0.663SS**  trans-121.6118.7-175.500000112.4
98D45.7Very low54.1Low170 Ų170123.5 Ų123.591%0.90968%0.679SS**  trans-75.9154172.6-147.5-25.9000111.1
99A43Very low51.6Low83 Ų83121.9 Ų121.969%0.68669%0.688SS**  trans-92.5-164-16000000113.6
100P65.4Low49.5Very low120 Ų120123.1 Ų123.178%0.77970%0.703SS**  cis-136165.1-16.639.6-23.4000115.5
101Y34.5Very low47.3Very low205 Ų205128.1 Ų128.180%0.80472%0.72SS**  trans-159.9133.6155.4-161.8-108.8000115.6P103Y101-P103 VanDerWaalsContact CZ-CD 3.43Å; Y101-P103 WeakPolarHBondContact OH-CD 3.45Å
102Q48.1Very low45.5Very low187 Ų187134 Ų13487%0.87475%0.747SS**  trans-146136.8156-74.3-157-10.300108.1
103P44.5Very low43.6Very low89 Ų89137 Ų13758%0.57876%0.763SS**  -144.1-174.696.243-28.8000111.5Y101Y101-P103 VanDerWaalsContact CZ-CD 3.43Å; Y101-P103 WeakPolarHBondContact OH-CD 3.45Å
104S29.9Very low41.7Very low115 Ų115135.5 Ų135.580%0.80477%0.765SS**  cis-155.3175.2-4.823.60000108.8
105N46.6Very low39.5Very low144 Ų144134 Ų13477%0.7778%0.776SS**  trans-136.8126.3174.6-17915.4000112.6
106P35.5Very low37.8Very low125 Ų125133.3 Ų133.381%0.81278%0.781SS**  trans-113.4113.5157.125.5-8000112.3
107N32.3Very low37.2Very low133 Ų133135.6 Ų135.671%0.71179%0.786SS**  trans-57.5138.2179177.617.7000116.1
108Q28.1Very low36.5Very low195 Ų195140.5 Ų140.591%0.91180%0.796SS**  -172.7127.5127.2-105.5176.553.900113.8
109G26.2Very low35.7Very low63 Ų63138.5 Ų138.565%0.64979%0.785SS**  trans12877.7151.600000119
110S24.8Very low35.1Very low102 Ų102145.2 Ų145.271%0.71379%0.794SS**  trans66.2135.2165.1-53.90000116.3
111Y28Very low33.9Very low226 Ų226146.9 Ų146.989%0.88679%0.792SS**  cis-136.5160.531.2-67.9-93.1000113.2
112Q30.9Very low34.3Very low197 Ų197145.7 Ų145.792%0.92179%0.793SS**  trans-82144.6178-83.8163.4-33.600113.1
113Q37Very low33.6Very low185 Ų185148.5 Ų148.586%0.86480%0.796SS**  trans-98.5146.5170.9-60.5170.9-6.800110.6
114P30.8Very low33.3Very low121 Ų121152.8 Ų152.879%0.78681%0.808SS**  trans-100.6115.9144.128.6-16.3000108.5
115A29.4Very low33.9Very low93 Ų93153.2 Ų153.277%0.76981%0.808SS**  84.4136.568.500000113.7
116A27.2Very low33.4Very low100 Ų100152.4 Ų152.483%0.82681%0.809SS**  trans75.1103.8179.200000117.6
117S46.7Very low33.8Very low117 Ų117152.2 Ų152.282%0.81881%0.808SS**  trans-68.8128.8158.650.30000111.3
118Q32.5Very low34.2Very low180 Ų180154.2 Ų154.284%0.84181%0.813SS**  trans-140.3130.9158.8-74.4-167-22.200111
119D28.2Very low35Very low129 Ų129150.8 Ų150.869%0.6981%0.807SS**  trans47128.1147.6-146.55000120.6H121D119-H121 PolarHBondContact O-N 3.17Å
120Y30.1Very low35.8Very low223 Ų223154.4 Ų154.488%0.87582%0.816SS**SBendtrans-100.737.5-171.7-22.5-86000112.3
121H41.6Very low36.8Very low156 Ų156160.9 Ų160.972%0.72283%0.825SS**SBendtrans-129.3143170.1-90.834.1000109.5D119D119-H121 PolarHBondContact O-N 3.17Å
122Q41.3Very low37.4Very low179 Ų179158.3 Ų158.384%0.83682%0.821SS**  trans60.192.5-176.7-112.672.930.600116.6
123R34.4Very low38Very low246 Ų246152.7 Ų152.793%0.92881%0.809SS**  trans-142.4115.7140.6-69-163.6-175.2-138.5-1.8109.8
124E38.4Very low38.1Very low179 Ų179149.8 Ų149.884%0.83681%0.806SS**  trans-63.6148.8159.6-68-174.2122.900109.4T126E124-T126 PolarHBondContact O-N 3Å; E124-T126 VanDerWaalsContact O-N 3.14Å
125P41.6Very low38.6Very low125 Ų125147.2 Ų147.281%0.81280%0.795SS**  trans-68111.2170.228.6-32.2000109.4
126T36.9Very low39.6Very low126 Ų126148.4 Ų148.477%0.77379%0.788SS**  trans-55.4131.3168.4-35.60000108.8E124 E128E124-T126 PolarHBondContact O-N 3Å; E124-T126 VanDerWaalsContact O-N 3.14Å; T126-E128 PolarHBondContact O-N 2.96Å
127P44.1Very low40.6Very low122 Ų122154.1 Ų154.179%0.79279%0.788SS**  trans-67.9108.3-17725.6-33.9000110.8
128E39.4Very low40.6Very low174 Ų174153.5 Ų153.581%0.81378%0.781SS**  trans-65.6148.1162-74.7-16115700109.8T126 V130T126-E128 PolarHBondContact O-N 2.96Å; E128-V130 PolarHBondContact O-N 2.87Å
129P46.2Very low41.5Very low124 Ų124147.3 Ų147.381%0.80576%0.758SS**  trans-67.6104.5-174.427.8-34.4000110R131P129-R131 PolarHBondContact O-N 3.18Å; P129-R131 VanDerWaalsContact O-N 3.11Å
130V43.3Very low42.6Very low138 Ų138146.5 Ų146.584%0.83676%0.763SS**  trans-51120169.7-110.30000108.4E128 E132E128-V130 PolarHBondContact O-N 2.87Å; V130-E132 PolarHBondContact O-N 3.45Å
131R45.1Very low44.2Very low238 Ų238139 Ų13990%0.89875%0.752SS**  trans-52.4126.2165.8-70.9178172-175.5-2.7107.2P129 A133P129-R131 PolarHBondContact O-N 3.18Å; P129-R131 VanDerWaalsContact O-N 3.11Å; R131-A133 PolarHBondContact O-N 3.14Å
132E39.4Very low45.8Very low172 Ų172137.9 Ų137.980%0.80474%0.742SS**  trans-54.3104.6178.7-74.2173.8111.100110.1V130V130-E132 PolarHBondContact O-N 3.45Å
133A44.4Very low47.9Very low80 Ų80135.8 Ų135.866%0.66173%0.726SS**  trans-51.1141.614900000107R131 A135R131-A133 PolarHBondContact O-N 3.14Å; A133-A135 PolarHBondContact O-N 2.85Å
134P38.3Very low50.7Low124 Ų124125 Ų12581%0.80569%0.686SS**SBendtrans-50.6115.2-161.921.3-34.6000110.1N136P134-N136 PolarHBondContact O-N 3.03Å
135A42.6Very low53.3Low66 Ų66121.6 Ų121.655%0.54567%0.665SS.*  trans-48.5103-166.300000110.7A133 R137A133-A135 PolarHBondContact O-N 2.85Å; A135-R137 VanDerWaalsContact C-N 3.29Å; A135-R137 PolarHBondContact O-N 3.36Å
136N50.1Low55.6Low118 Ų118115.6 Ų115.663%0.63163%0.627SS**  trans-65.5102.8167.7-149.917.3000103.5P134 Q170P134-N136 PolarHBondContact O-N 3.03Å; N136-Q170 PolarHBondContact ND2-OE1 3.12Å
137R47.6Very low58.3Low221 Ų221111.6 Ų111.683%0.83460%0.602SS**  trans-49.5136.6-163.6-63.9175-177.9-140.8-2.1108.3A135 S139A135-R137 VanDerWaalsContact C-N 3.29Å; A135-R137 PolarHBondContact O-N 3.36Å; R137-S139 PolarHBondContact O-N 2.9Å
138P46.3Very low60Low103 Ų103112.4 Ų112.467%0.66959%0.59SS**  trans-53.9116.2175.224-33.3000107.3S140P138-S140 PolarHBondContact O-N 3.47Å; P138-S140 PolarHBondContact O-OG 3.3Å
139S51.9Low62.2Low50 Ų50109.1 Ų109.135%0.3558%0.578SS.*  trans-74.361.6174.4-175.80000107.4R137 G141 R142R137-S139 PolarHBondContact O-N 2.9Å; S139-G141 PolarHBondContact O-N 2.96Å; S139-R142 PolarHBondContact O-N 3.11Å; S139-R142 WeakPolarHBondContact OG-CD 3.21Å; S139-R142 WeakPolarHBondContact OG-CG 3.42Å
140S52.2Low63.9Low113 Ų113105 Ų10579%0.7955%0.547SS*.THydrogen-bonded Turntrans-77.750.8-163.155.40000111.7P138P138-S140 PolarHBondContact O-N 3.47Å; P138-S140 PolarHBondContact O-OG 3.3Å
141G63Low66Low64 Ų64104 Ų10466%0.6654%0.541SS*.THydrogen-bonded Turntrans-177.5-21.2-174.100000114.6S139 R143S139-G141 PolarHBondContact O-N 2.96Å; G141-R143 PolarHBondContact O-N 3.26Å
142R75.4Confident67.8Low133 Ų13394.4 Ų94.450%0.50251%0.512SS..  trans-87.1106.1176.1-62.6-173.5178.1-151.60.2109.9S139 Y144 E197S139-R142 PolarHBondContact O-N 3.11Å; S139-R142 WeakPolarHBondContact OG-CD 3.21Å; S139-R142 WeakPolarHBondContact OG-CG 3.42Å; R142-Y144 HydrophobicContact CB-CE2 3.84Å; R142-E197 WeakPolarHBondContact CD-OE1 3.22Å; R142-E197 WeakPolarHBondContact CG-OE1 3.44Å; R142-E197 IonicContact CZ-OE1 3.54Å; R142-E197 IonicContact NE-OE1 3.36Å; R142-E197 PolarHBondContact NE-OE1 3.19Å; R142-E197 IonicContact NH1-OE1 2.77Å; R142-E197 PolarHBondContact NH1-OE1 3.13Å; R142-E197 IonicContact NH1-OE2 2.69Å
143R86.2Confident69.5Low135 Ų13590.3 Ų90.351%0.50951%0.508SS..  trans-102.1142.2171.2-61.1-177.4-179.1-152.9-4.3107.6G141 M165 F198G141-R143 PolarHBondContact O-N 3.26Å; R143-M165 HydrophobicContact CB-CE 3.83Å; R143-F198 PolarHBondContact O-N 3.49Å
144Y92.2Very high71.1Confident21 Ų2191.6 Ų91.68%0.08250%0.504CS..EExtended strand (participates in β ladder)trans-116.6150.2174.4-63.5-102.9000108.5R142 M165 I166 V169 M177 V195 D196 E197R142-Y144 HydrophobicContact CB-CE2 3.84Å; Y144-M165 WeakPolarHBondContact O-CA 3.25Å; Y144-I166 PolarHBondContact N-O 2.85Å; Y144-I166 PolarHBondContact O-N 3.14Å; Y144-V169 HydrophobicContact CD2-CB 3.7Å; Y144-V169 HydrophobicContact CD2-CG1 3.91Å; Y144-V169 HydrophobicContact CD2-CG2 3.53Å; Y144-V169 HydrophobicContact CE2-CB 3.72Å; Y144-V169 HydrophobicContact CE2-CG1 3.84Å; Y144-V169 HydrophobicContact CE2-CG2 4.1Å; Y144-V169 HydrophobicContact CG-CG2 4.38Å; Y144-M177 HydrophobicContact CD1-CE 4.38Å; Y144-M177 HydrophobicContact CE1-CE 3.81Å; Y144-M177 HydrophobicContact CE2-CE 4.3Å; Y144-V195 HydrophobicContact CD1-CG2 4.29Å; Y144-D196 CarbonylContact C-O 3.46Å; Y144-D196 WeakPolarHBondContact CA-O 3.3Å; Y144-E197 HydrophobicContact CD1-CB 3.83Å; Y144-E197 HydrophobicContact CD1-CG 4.28Å; Y144-E197 HydrophobicContact CE1-CB 3.47Å; Y144-E197 VanDerWaalsContact CE1-CB 3.47Å; Y144-E197 HydrophobicContact CE1-CG 3.71Å; Y144-E197 HydrophobicContact CE2-CG 4.4Å; Y144-E197 VanDerWaalsContact OH-CD 3.22Å; Y144-E197 PolarHBondContact OH-OE2 2.83Å
145R93.3Very high73Confident106 Ų10693.9 Ų93.940%0.451%0.51SS..EExtended strand (participates in β ladder)trans-118.1128.8174.3-172.4-176.163.3-151.3-7.8108.7D164 M165 V195 D196R145-D164 CarbonylContact C-O 3.56Å; R145-D164 WeakPolarHBondContact CA-O 3.45Å; R145-M165 HydrophobicContact CB-SD 4.1Å; R145-M165 HydrophobicContact CG-SD 4.07Å; R145-V195 WeakPolarHBondContact O-CA 3.39Å; R145-D196 PolarHBondContact N-O 3.01Å; R145-D196 PolarHBondContact O-N 2.84Å
146A90.6Very high75Confident0 Ų095 Ų950%051%0.506CS..EExtended strand (participates in β ladder)trans-59.3137.1170.200000110.9F160 L161 G163 D164 Y194A146-F160 HydrophobicContact CB-CD2 3.42Å; A146-F160 VanDerWaalsContact CB-CD2 3.42Å; A146-F160 HydrophobicContact CB-CE2 3.77Å; A146-F160 HydrophobicContact CB-CG 4.43Å; A146-L161 WeakPolarHBondContact CB-O 3.37Å; A146-G163 PolarHBondContact O-N 3.34Å; A146-D164 HydrophobicContact CB-CB 4.25Å; A146-D164 PolarHBondContact N-O 3.42Å; A146-Y194 WeakPolarHBondContact CA-O 3.38Å
147V92Very high76.9Confident42 Ų4291 Ų9126%0.25548%0.484SS..SBendtrans-105.3-14.1178.3-169.50000111D162 Y194 D196V147-D162 VanDerWaalsContact C-OD1 3.29Å; V147-Y194 PolarHBondContact N-O 2.93Å; V147-D196 HydrophobicContact CG2-CB 3.93Å; V147-D196 WeakPolarHBondContact CG2-OD2 3.31Å
148Y80.9Confident78.9Confident139 Ų13980.5 Ų80.555%0.54544%0.444SS..SBendtrans-147.6154.2-177.7-55.4-65.6000110.2F160 Y194Y148-F160 WeakPolarHBondContact O-CE2 3.35Å; Y148-Y194 HydrophobicContact CD2-CD1 4.3Å; Y148-Y194 HydrophobicContact CD2-CG 4.47Å
149D85.6Confident81Confident105 Ų10577.7 Ų77.756%0.56143%0.427SS*.  trans-65.7140.4168.3-58.9-32.7000110.9L161 D162D149-L161 HydrophobicContact CB-CD2 4.31Å; D149-L161 WeakPolarHBondContact OD1-CA 3.38Å; D149-L161 WeakPolarHBondContact OD1-CD2 3.29Å; D149-D162 PolarHBondContact OD1-N 3.29Å
150Y81.9Confident82.9Confident38 Ų3875.5 Ų75.515%0.14941%0.411CS..BIsolated β-bridgetrans-138.2131.9174.5-173-101.8000111.3E157 V158 S159 F160 P191 Y194Y150-E157 WeakPolarHBondContact CE1-OE2 3.44Å; Y150-E157 VanDerWaalsContact OH-CD 3.31Å; Y150-E157 PolarHBondContact OH-OE1 3.03Å; Y150-E157 PolarHBondContact OH-OE2 3.04Å; Y150-V158 WeakPolarHBondContact CD1-O 3.46Å; Y150-S159 CarbonylContact O-C 3.56Å; Y150-S159 VanDerWaalsContact O-CA 3.29Å; Y150-S159 WeakPolarHBondContact O-CA 3.45Å; Y150-F160 HydrophobicContact CD1-CD1 4.33Å; Y150-F160 AromaticContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CZ 4.2Å; Y150-F160 AromaticContact CG-CE1 3.89Å; Y150-F160 HydrophobicContact CG-CE1 3.89Å; Y150-F160 AromaticContact CG-CZ 3.9Å; Y150-F160 HydrophobicContact CG-CZ 3.9Å; Y150-F160 PolarHBondContact N-O 3.44Å; Y150-F160 PolarHBondContact O-N 3.43Å; Y150-P191 HydrophobicContact CD2-CG 3.78Å; Y150-P191 HydrophobicContact CE1-CG 4.48Å; Y150-P191 HydrophobicContact CE2-CG 3.73Å; Y150-P191 HydrophobicContact CG-CG 4.19Å; Y150-Y194 HydrophobicContact CD2-CD1 4.17Å; Y150-Y194 HydrophobicContact CD2-CE1 4.08Å
151T86.1Confident84.4Confident116 Ų11674.2 Ų74.271%0.71240%0.395SS*.  trans-108.2123.6173.554.80000109.1A153T151-A153 PolarHBondContact O-N 2.78Å
152A83.8Confident85.7Confident36 Ų3676 Ų7630%0.29839%0.389SS..  trans-53.2133.2175.800000111.3E157 S159A152-E157 HydrophobicContact CB-CB 3.7Å; A152-S159 WeakPolarHBondContact CB-OG 3.33Å; A152-S159 PolarHBondContact N-OG 3.39Å
153A76Confident86.3Confident86 Ų8671.5 Ų71.571%0.71138%0.384SS*.SBendtrans-93.2-22.5178.300000113.5T151 E157T151-A153 PolarHBondContact O-N 2.78Å; A153-E157 PolarHBondContact N-OE2 3.37Å
154D76.5Confident86.6Confident108 Ų10865.7 Ų65.758%0.57836%0.364SS*.SBendtrans-142168.7-178.4-150.2-28000110.4D156 E157D154-D156 PolarHBondContact O-N 3.2Å; D154-E157 PolarHBondContact O-N 3Å
155D79.4Confident86.5Confident172 Ų17267.1 Ų67.192%0.9237%0.371SS*.THydrogen-bonded Turntrans-68.7-14.3-172.6-75.3-23.7000114
156D84.9Confident86.5Confident89 Ų8962 Ų6248%0.47635%0.352SS..THydrogen-bonded Turntrans-96.7-5.4176.569.3-21.4000114.2D154 G188 M189D154-D156 PolarHBondContact O-N 3.2Å; D156-G188 CarbonylContact O-C 3.57Å; D156-G188 WeakPolarHBondContact O-CA 3.36Å; D156-M189 PolarHBondContact O-N 3.37Å
157E89.7Confident86.5Confident34 Ų3463.3 Ų63.316%0.15936%0.36CS..BIsolated β-bridgetrans-91.3160.1176-69.4-173.3-175.500113.3Y150 A152 A153 D154 W176 M189Y150-E157 WeakPolarHBondContact CE1-OE2 3.44Å; Y150-E157 VanDerWaalsContact OH-CD 3.31Å; Y150-E157 PolarHBondContact OH-OE1 3.03Å; Y150-E157 PolarHBondContact OH-OE2 3.04Å; A152-E157 HydrophobicContact CB-CB 3.7Å; A153-E157 PolarHBondContact N-OE2 3.37Å; D154-E157 PolarHBondContact O-N 3Å; E157-W176 HydrophobicContact CG-CZ3 4.41Å; E157-W176 VanDerWaalsContact OE1-CH2 3.25Å; E157-W176 WeakPolarHBondContact OE1-CH2 3.41Å; E157-M189 CarbonylContact C-O 3.6Å; E157-M189 VanDerWaalsContact CA-O 3.29Å; E157-M189 WeakPolarHBondContact CA-O 3.32Å; E157-M189 HydrophobicContact CG-CB 4.25Å
158V89.8Confident86.3Confident1 Ų165.8 Ų65.81%0.00637%0.372CS..  trans-117.3132.6177.866.10000113Y150 F160 V181 Q186 M189 L190Y150-V158 WeakPolarHBondContact CD1-O 3.46Å; V158-F160 HydrophobicContact CG1-CD1 4.46Å; V158-F160 WeakPolarHBondContact O-CD1 3.2Å; V158-V181 HydrophobicContact CG1-CG2 4.31Å; V158-V181 HydrophobicContact CG2-CB 4.4Å; V158-V181 HydrophobicContact CG2-CG2 3.53Å; V158-Q186 HydrophobicContact CG2-CB 3.71Å; V158-M189 PolarHBondContact N-O 2.81Å; V158-L190 HydrophobicContact CG1-CB 4.05Å; V158-L190 HydrophobicContact CG1-CD2 3.95Å
159S90.3Very high86.7Confident44 Ų4459.6 Ų59.631%0.30835%0.349SS..  trans-87.1135.2175.4-58.20000111.8Y150 A152Y150-S159 CarbonylContact O-C 3.56Å; Y150-S159 VanDerWaalsContact O-CA 3.29Å; Y150-S159 WeakPolarHBondContact O-CA 3.45Å; A152-S159 WeakPolarHBondContact CB-OG 3.33Å; A152-S159 PolarHBondContact N-OG 3.39Å
160F90.5Very high86.7Confident3 Ų358.8 Ų58.81%0.01334%0.341CS..BIsolated β-bridgetrans-146165179.454.6-91.9000111.9A146 Y148 Y150 V158 D164 I166 V181 L190 V195A146-F160 HydrophobicContact CB-CD2 3.42Å; A146-F160 VanDerWaalsContact CB-CD2 3.42Å; A146-F160 HydrophobicContact CB-CE2 3.77Å; A146-F160 HydrophobicContact CB-CG 4.43Å; Y148-F160 WeakPolarHBondContact O-CE2 3.35Å; Y150-F160 HydrophobicContact CD1-CD1 4.33Å; Y150-F160 AromaticContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CE1 3.71Å; Y150-F160 HydrophobicContact CD1-CZ 4.2Å; Y150-F160 AromaticContact CG-CE1 3.89Å; Y150-F160 HydrophobicContact CG-CE1 3.89Å; Y150-F160 AromaticContact CG-CZ 3.9Å; Y150-F160 HydrophobicContact CG-CZ 3.9Å; Y150-F160 PolarHBondContact N-O 3.44Å; Y150-F160 PolarHBondContact O-N 3.43Å; V158-F160 HydrophobicContact CG1-CD1 4.46Å; V158-F160 WeakPolarHBondContact O-CD1 3.2Å; F160-D164 WeakPolarHBondContact CA-OD2 3.36Å; F160-D164 HydrophobicContact CB-CB 4.14Å; F160-I166 HydrophobicContact CB-CD1 4.38Å; F160-I166 HydrophobicContact CG-CD1 4.39Å; F160-V181 HydrophobicContact CB-CG1 4.47Å; F160-V181 HydrophobicContact CB-CG2 3.82Å; F160-L190 HydrophobicContact CE1-CB 3.67Å; F160-L190 HydrophobicContact CZ-CB 4.37Å; F160-V195 HydrophobicContact CE2-CG1 4.28Å; F160-V195 HydrophobicContact CZ-CG1 4.26Å
161L85.3Confident86.7Confident86 Ų8662.7 Ų62.745%0.4536%0.359SS..  trans-114.3159.9178.4-61.6175.6000110.4A146 D149 G163 D164A146-L161 WeakPolarHBondContact CB-O 3.37Å; D149-L161 HydrophobicContact CB-CD2 4.31Å; D149-L161 WeakPolarHBondContact OD1-CA 3.38Å; D149-L161 WeakPolarHBondContact OD1-CD2 3.29Å; L161-G163 PolarHBondContact O-N 3.49Å; L161-D164 PolarHBondContact N-OD2 2.78Å; L161-D164 VanDerWaalsContact O-CB 3.27Å; L161-D164 WeakPolarHBondContact O-CB 3.42Å; L161-D164 PolarHBondContact O-N 3.12Å
162D89.8Confident86.4Confident102 Ų10261.9 Ų61.955%0.54535%0.349SS..THydrogen-bonded Turntrans-50.2133.9170.317641.5000111.2V147 D149 D164V147-D162 VanDerWaalsContact C-OD1 3.29Å; D149-D162 PolarHBondContact OD1-N 3.29Å; D162-D164 VanDerWaalsContact C-N 3.32Å; D162-D164 PolarHBondContact O-N 3.28Å
163G88.4Confident86.1Confident38 Ų3863.9 Ų63.939%0.39236%0.355SS..THydrogen-bonded Turntrans80.7-5.3-175.600000116.3A146 L161A146-G163 PolarHBondContact O-N 3.34Å; L161-G163 PolarHBondContact O-N 3.49Å
164D91Very high85.9Confident14 Ų1466.1 Ų66.18%0.07536%0.355CS..  trans-62.5138174.7-87.6-26.7000112R145 A146 F160 L161 D162 V181 R183R145-D164 CarbonylContact C-O 3.56Å; R145-D164 WeakPolarHBondContact CA-O 3.45Å; A146-D164 HydrophobicContact CB-CB 4.25Å; A146-D164 PolarHBondContact N-O 3.42Å; F160-D164 WeakPolarHBondContact CA-OD2 3.36Å; F160-D164 HydrophobicContact CB-CB 4.14Å; L161-D164 PolarHBondContact N-OD2 2.78Å; L161-D164 VanDerWaalsContact O-CB 3.27Å; L161-D164 WeakPolarHBondContact O-CB 3.42Å; L161-D164 PolarHBondContact O-N 3.12Å; D162-D164 VanDerWaalsContact C-N 3.32Å; D162-D164 PolarHBondContact O-N 3.28Å; D164-V181 HydrophobicContact CB-CG1 4.22Å; D164-R183 VanDerWaalsContact CG-NE 3.3Å; D164-R183 WeakPolarHBondContact OD1-CB 3.5Å; D164-R183 VanDerWaalsContact OD1-CD 3.27Å; D164-R183 WeakPolarHBondContact OD1-CD 3.48Å; D164-R183 IonicContact OD1-CZ 2.75Å; D164-R183 IonicContact OD1-NE 3.43Å; D164-R183 PolarHBondContact OD1-NE 3.32Å; D164-R183 IonicContact OD1-NH2 3.93Å; D164-R183 IonicContact OD2-CZ 2.66Å; D164-R183 VanDerWaalsContact OD2-CZ 3.28Å; D164-R183 IonicContact OD2-NE 3.48Å; D164-R183 PolarHBondContact OD2-NE 3.28Å; D164-R183 IonicContact OD2-NH2 3.6Å; D164-R183 PolarHBondContact OD2-NH2 2.91Å
165M91.6Very high86.2Confident50 Ų5062.2 Ų62.225%0.24634%0.34CS..EExtended strand (participates in β ladder)trans-86.5127.1175-62.6-55.9-53.800110.6R143 Y144 R145 E182R143-M165 HydrophobicContact CB-CE 3.83Å; Y144-M165 WeakPolarHBondContact O-CA 3.25Å; R145-M165 HydrophobicContact CB-SD 4.1Å; R145-M165 HydrophobicContact CG-SD 4.07Å; M165-E182 HydrophobicContact CB-CB 4.11Å; M165-E182 WeakPolarHBondContact CB-OE2 3.36Å; M165-E182 WeakPolarHBondContact O-CB 3.47Å; M165-E182 PolarHBondContact O-N 2.94Å
166I92.3Very high86.5Confident0 Ų057.8 Ų57.80%031%0.311CS..EExtended strand (participates in β ladder)trans-106.4127.5174.5-37.3-61.2000109.2Y144 F160 V169 R180 V181 L190 V195Y144-I166 PolarHBondContact N-O 2.85Å; Y144-I166 PolarHBondContact O-N 3.14Å; F160-I166 HydrophobicContact CB-CD1 4.38Å; F160-I166 HydrophobicContact CG-CD1 4.39Å; I166-V169 HydrophobicContact CB-CG2 4.05Å; I166-V169 HydrophobicContact CG2-CG2 3.6Å; I166-R180 CarbonylContact C-O 3.57Å; I166-R180 WeakPolarHBondContact CA-O 3.39Å; I166-V181 HydrophobicContact CD1-CB 4.4Å; I166-V181 HydrophobicContact CD1-CG2 3.69Å; I166-L190 HydrophobicContact CG2-CD2 3.75Å; I166-V195 HydrophobicContact CG1-CG1 4.01Å
167V91.2Very high86.8Confident27 Ų2754 Ų5416%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-121.6170.8-179.1-57.90000111.1V169 R180V167-V169 PolarHBondContact O-N 2.86Å; V167-V169 VanDerWaalsContact O-N 3.16Å; V167-R180 HydrophobicContact CG2-CB 4.09Å; V167-R180 HydrophobicContact CG2-CG 4.43Å; V167-R180 PolarHBondContact N-O 3.23Å; V167-R180 PolarHBondContact O-N 3.29Å
168D87.9Confident86.8Confident94 Ų9456.1 Ų56.150%0.50330%0.297SS..EExtended strand (participates in β ladder)trans54.231.6-178.2-58-37.7000114Q170D168-Q170 PolarHBondContact O-N 3.42Å
169V87.6Confident86.9Confident9 Ų956.1 Ų56.16%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-73.8128.1-168.4-173.60000112.3Y144 I166 V167 M177 Y178Y144-V169 HydrophobicContact CD2-CB 3.7Å; Y144-V169 HydrophobicContact CD2-CG1 3.91Å; Y144-V169 HydrophobicContact CD2-CG2 3.53Å; Y144-V169 HydrophobicContact CE2-CB 3.72Å; Y144-V169 HydrophobicContact CE2-CG1 3.84Å; Y144-V169 HydrophobicContact CE2-CG2 4.1Å; Y144-V169 HydrophobicContact CG-CG2 4.38Å; I166-V169 HydrophobicContact CB-CG2 4.05Å; I166-V169 HydrophobicContact CG2-CG2 3.6Å; V167-V169 PolarHBondContact O-N 2.86Å; V167-V169 VanDerWaalsContact O-N 3.16Å; V169-M177 HydrophobicContact CG1-CB 4.01Å; V169-M177 HydrophobicContact CG1-CE 3.56Å; V169-M177 HydrophobicContact CG1-SD 4.17Å; V169-Y178 CarbonylContact C-O 3.54Å; V169-Y178 VanDerWaalsContact CA-O 3.27Å; V169-Y178 WeakPolarHBondContact CA-O 3.21Å
170Q85.7Confident87Confident88 Ų8858.7 Ų58.741%0.41130%0.3SS..EExtended strand (participates in β ladder)trans-119.8116.7173.7-63.4-176.267.500109.1N136 D168 I172 M177 Y178N136-Q170 PolarHBondContact ND2-OE1 3.12Å; D168-Q170 PolarHBondContact O-N 3.42Å; Q170-I172 PolarHBondContact O-N 2.75Å; Q170-M177 WeakPolarHBondContact O-CA 3.38Å; Q170-Y178 PolarHBondContact N-O 3.36Å; Q170-Y178 PolarHBondContact O-N 2.8Å
171K81.8Confident87.1Confident120 Ų12058.5 Ų58.552%0.52230%0.3SS..EExtended strand (participates in β ladder)trans-72.9122.1174.1-172.7172177.8179.70109.3D173 D174 M177K171-D173 WeakPolarHBondContact CE-O 3.04Å; K171-D173 WeakPolarHBondContact CG-O 3.45Å; K171-D174 WeakPolarHBondContact CE-OD1 3.32Å; K171-D174 IonicContact NZ-OD1 3.11Å; K171-D174 PolarHBondContact NZ-OD1 3.29Å; K171-M177 HydrophobicContact CB-CE 4.11Å; K171-M177 HydrophobicContact CG-CE 4.44Å; K171-M177 HydrophobicContact CG-CG 4.5Å
172I79.8Confident87.4Confident99 Ų9959.8 Ų59.851%0.50830%0.303SS..  trans-88.3-54.6178.2-61.2171.9000108.8Q170 W176 M189Q170-I172 PolarHBondContact O-N 2.75Å; I172-W176 PolarHBondContact N-O 3.15Å; I172-W176 VanDerWaalsContact N-O 3.1Å; I172-M189 HydrophobicContact CD1-CE 4.22Å; I172-M189 HydrophobicContact CD1-CG 4.31Å; I172-M189 HydrophobicContact CD1-SD 4.34Å
173D79.2Confident87.3Confident78 Ų7861.4 Ų61.442%0.41730%0.302SS..SBendtrans-143.9-168.4175.865.337.2000110.5K171 G175 W176K171-D173 WeakPolarHBondContact CE-O 3.04Å; K171-D173 WeakPolarHBondContact CG-O 3.45Å; D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 WeakPolarHBondContact OD1-CA 3.27Å; D173-G175 PolarHBondContact OD1-N 3.13Å; D173-W176 PolarHBondContact N-O 2.87Å; D173-W176 PolarHBondContact OD1-N 2.84Å
174D71.8Confident87.2Confident132 Ų13262 Ų6271%0.70630%0.298SS*.SBendtrans-77.4-12.3-179.4-72-42000114.6K171K171-D174 WeakPolarHBondContact CE-OD1 3.32Å; K171-D174 IonicContact NZ-OD1 3.11Å; K171-D174 PolarHBondContact NZ-OD1 3.29Å
175G81.8Confident87.1Confident26 Ų2663.6 Ų63.627%0.26832%0.318SS..SBendtrans-100.9-30.5175.300000113.7D173 P191 A192D173-G175 VanDerWaalsContact C-N 3.32Å; D173-G175 WeakPolarHBondContact OD1-CA 3.27Å; D173-G175 PolarHBondContact OD1-N 3.13Å; G175-P191 CarbonylContact O-C 3.57Å; G175-P191 WeakPolarHBondContact O-CA 3.25Å; G175-A192 PolarHBondContact O-N 3.06Å
176W86.5Confident86.6Confident80 Ų8066.3 Ų66.330%0.30333%0.33SS..EExtended strand (participates in β ladder)trans-130.2140.6-168.7-63.598.7000114.2E157 I172 D173 M189E157-W176 HydrophobicContact CG-CZ3 4.41Å; E157-W176 VanDerWaalsContact OE1-CH2 3.25Å; E157-W176 WeakPolarHBondContact OE1-CH2 3.41Å; I172-W176 PolarHBondContact N-O 3.15Å; I172-W176 VanDerWaalsContact N-O 3.1Å; D173-W176 PolarHBondContact N-O 2.87Å; D173-W176 PolarHBondContact OD1-N 2.84Å; W176-M189 HydrophobicContact CB-CE 3.88Å; W176-M189 HydrophobicContact CD2-CE 3.95Å; W176-M189 HydrophobicContact CE3-CB 4.26Å; W176-M189 HydrophobicContact CE3-CE 4.08Å; W176-M189 HydrophobicContact CG-CE 3.87Å
177M90.4Very high86.5Confident10 Ų1071 Ų715%0.04935%0.352CS..EExtended strand (participates in β ladder)trans-124154.1172.3-49.6-179.990.700108.7Y144 V169 Q170 K171 M189 L190 A192 V195Y144-M177 HydrophobicContact CD1-CE 4.38Å; Y144-M177 HydrophobicContact CE1-CE 3.81Å; Y144-M177 HydrophobicContact CE2-CE 4.3Å; V169-M177 HydrophobicContact CG1-CB 4.01Å; V169-M177 HydrophobicContact CG1-CE 3.56Å; V169-M177 HydrophobicContact CG1-SD 4.17Å; Q170-M177 WeakPolarHBondContact O-CA 3.38Å; K171-M177 HydrophobicContact CB-CE 4.11Å; K171-M177 HydrophobicContact CG-CE 4.44Å; K171-M177 HydrophobicContact CG-CG 4.5Å; M177-M189 CarbonylContact O-C 3.49Å; M177-M189 WeakPolarHBondContact O-CA 3.06Å; M177-L190 HydrophobicContact CB-CD1 4.02Å; M177-L190 HydrophobicContact CB-CG 4.17Å; M177-L190 PolarHBondContact N-O 3.09Å; M177-L190 PolarHBondContact O-N 2.88Å; M177-A192 HydrophobicContact CG-CB 3.72Å; M177-A192 HydrophobicContact SD-CB 3.94Å; M177-V195 HydrophobicContact SD-CG2 3.78Å
178Y90.3Very high86.4Confident77 Ų7769.8 Ų69.830%0.30235%0.345SS..EExtended strand (participates in β ladder)trans-102.7136.6164.3-169.7-92.9000108.3V169 Q170 Q187 G188 M189V169-Y178 CarbonylContact C-O 3.54Å; V169-Y178 VanDerWaalsContact CA-O 3.27Å; V169-Y178 WeakPolarHBondContact CA-O 3.21Å; Q170-Y178 PolarHBondContact N-O 3.36Å; Q170-Y178 PolarHBondContact O-N 2.8Å; Y178-Q187 HydrophobicContact CE1-CB 4.42Å; Y178-Q187 WeakPolarHBondContact OH-CG 3.28Å; Y178-G188 WeakPolarHBondContact CA-O 3.35Å; Y178-G188 WeakPolarHBondContact CD2-O 3.19Å; Y178-M189 HydrophobicContact CD2-CG 4.27Å
179G91.7Very high86.6Confident1 Ų167.5 Ų67.51%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-165.8173179.900000113.1Q187 G188G179-Q187 VanDerWaalsContact O-CA 3.22Å; G179-Q187 WeakPolarHBondContact O-CA 3.27Å; G179-G188 PolarHBondContact N-O 3.25Å; G179-G188 PolarHBondContact O-N 2.62Å
180R92.6Very high86.8Confident98 Ų9867.1 Ų67.137%0.3733%0.329SS..EExtended strand (participates in β ladder)trans-116.5127.2179-178.9-177.4-65.2-176.21.1111I166 V167 Q186 Q187I166-R180 CarbonylContact C-O 3.57Å; I166-R180 WeakPolarHBondContact CA-O 3.39Å; V167-R180 HydrophobicContact CG2-CB 4.09Å; V167-R180 HydrophobicContact CG2-CG 4.43Å; V167-R180 PolarHBondContact N-O 3.23Å; V167-R180 PolarHBondContact O-N 3.29Å; R180-Q186 CarbonylContact C-O 3.56Å; R180-Q186 WeakPolarHBondContact CA-O 3.41Å; R180-Q187 HydrophobicContact CB-CB 3.97Å; R180-Q187 HydrophobicContact CG-CB 4.23Å
181V93Very high87Confident0 Ų063.5 Ų63.50%031%0.314CS..EExtended strand (participates in β ladder)trans-76.6120.3173.3178.30000109.3V158 F160 D164 I166 R183 T184 G185 Q186V158-V181 HydrophobicContact CG1-CG2 4.31Å; V158-V181 HydrophobicContact CG2-CB 4.4Å; V158-V181 HydrophobicContact CG2-CG2 3.53Å; F160-V181 HydrophobicContact CB-CG1 4.47Å; F160-V181 HydrophobicContact CB-CG2 3.82Å; D164-V181 HydrophobicContact CB-CG1 4.22Å; I166-V181 HydrophobicContact CD1-CB 4.4Å; I166-V181 HydrophobicContact CD1-CG2 3.69Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 HydrophobicContact CG1-CB 4.14Å; V181-R183 PolarHBondContact O-N 3.37Å; V181-T184 WeakPolarHBondContact CB-OG1 3.39Å; V181-T184 HydrophobicContact CG1-CG2 4.32Å; V181-T184 PolarHBondContact O-N 2.78Å; V181-G185 WeakPolarHBondContact O-CA 3.39Å; V181-G185 PolarHBondContact O-N 2.98Å; V181-Q186 PolarHBondContact N-O 3.39Å
182E90.5Very high87.3Confident112 Ų11258.7 Ų58.752%0.52330%0.296SS..THydrogen-bonded Turntrans-64.4-33.8-177.7-169.3171-145.900112.2M165M165-E182 HydrophobicContact CB-CB 4.11Å; M165-E182 WeakPolarHBondContact CB-OE2 3.36Å; M165-E182 WeakPolarHBondContact O-CB 3.47Å; M165-E182 PolarHBondContact O-N 2.94Å
183R88.7Confident87.8Confident136 Ų13660.1 Ų60.151%0.51330%0.304SS..THydrogen-bonded Turntrans-68.3-41.6179.9179.5179.657.879.56114D164 V181D164-R183 VanDerWaalsContact CG-NE 3.3Å; D164-R183 WeakPolarHBondContact OD1-CB 3.5Å; D164-R183 VanDerWaalsContact OD1-CD 3.27Å; D164-R183 WeakPolarHBondContact OD1-CD 3.48Å; D164-R183 IonicContact OD1-CZ 2.75Å; D164-R183 IonicContact OD1-NE 3.43Å; D164-R183 PolarHBondContact OD1-NE 3.32Å; D164-R183 IonicContact OD1-NH2 3.93Å; D164-R183 IonicContact OD2-CZ 2.66Å; D164-R183 VanDerWaalsContact OD2-CZ 3.28Å; D164-R183 IonicContact OD2-NE 3.48Å; D164-R183 PolarHBondContact OD2-NE 3.28Å; D164-R183 IonicContact OD2-NH2 3.6Å; D164-R183 PolarHBondContact OD2-NH2 2.91Å; V181-R183 VanDerWaalsContact C-N 3.3Å; V181-R183 HydrophobicContact CG1-CB 4.14Å; V181-R183 PolarHBondContact O-N 3.37Å
184T86.4Confident88.2Confident52 Ų5260.7 Ų60.732%0.31930%0.301SS..THydrogen-bonded Turntrans-102.6-17-174.862.20000112.9V181 Q186V181-T184 WeakPolarHBondContact CB-OG1 3.39Å; V181-T184 HydrophobicContact CG1-CG2 4.32Å; V181-T184 PolarHBondContact O-N 2.78Å; T184-Q186 PolarHBondContact O-N 2.68Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.18Å; T184-Q186 PolarHBondContact OG1-N 3.43Å
185G87.5Confident89Confident47 Ų4754.8 Ų54.849%0.48527%0.27SS..  trans69.9-2.2-170.300000114.2V181V181-G185 WeakPolarHBondContact O-CA 3.39Å; V181-G185 PolarHBondContact O-N 2.98Å
186Q81.7Confident89.3Confident106 Ų10658 Ų5850%0.49528%0.281SS..  trans-72.9146.2179.4-64.31792.200110.3V158 R180 V181 T184V158-Q186 HydrophobicContact CG2-CB 3.71Å; R180-Q186 CarbonylContact C-O 3.56Å; R180-Q186 WeakPolarHBondContact CA-O 3.41Å; V181-Q186 PolarHBondContact N-O 3.39Å; T184-Q186 PolarHBondContact O-N 2.68Å; T184-Q186 WeakPolarHBondContact OG1-CB 3.18Å; T184-Q186 PolarHBondContact OG1-N 3.43Å
187Q90.6Very high89.3Confident99 Ų9959 Ų5946%0.46329%0.29SS..EExtended strand (participates in β ladder)trans-133.3140.6-179.762.7-178.821.500109.7Y178 G179 R180Y178-Q187 HydrophobicContact CE1-CB 4.42Å; Y178-Q187 WeakPolarHBondContact OH-CG 3.28Å; G179-Q187 VanDerWaalsContact O-CA 3.22Å; G179-Q187 WeakPolarHBondContact O-CA 3.27Å; R180-Q187 HydrophobicContact CB-CB 3.97Å; R180-Q187 HydrophobicContact CG-CB 4.23Å
188G89.4Confident88.5Confident2 Ų268 Ų682%0.02133%0.329CS..EExtended strand (participates in β ladder)trans177.3-173.8-172.600000111.8D156 Y178 G179D156-G188 CarbonylContact O-C 3.57Å; D156-G188 WeakPolarHBondContact O-CA 3.36Å; Y178-G188 WeakPolarHBondContact CA-O 3.35Å; Y178-G188 WeakPolarHBondContact CD2-O 3.19Å; G179-G188 PolarHBondContact N-O 3.25Å; G179-G188 PolarHBondContact O-N 2.62Å
189M92.5Very high88.4Confident46 Ų4667.6 Ų67.623%0.22733%0.33CS..EExtended strand (participates in β ladder)trans-73.8142.2171.6-68.3-172.956.300111.1D156 E157 V158 I172 W176 M177 Y178D156-M189 PolarHBondContact O-N 3.37Å; E157-M189 CarbonylContact C-O 3.6Å; E157-M189 VanDerWaalsContact CA-O 3.29Å; E157-M189 WeakPolarHBondContact CA-O 3.32Å; E157-M189 HydrophobicContact CG-CB 4.25Å; V158-M189 PolarHBondContact N-O 2.81Å; I172-M189 HydrophobicContact CD1-CE 4.22Å; I172-M189 HydrophobicContact CD1-CG 4.31Å; I172-M189 HydrophobicContact CD1-SD 4.34Å; W176-M189 HydrophobicContact CB-CE 3.88Å; W176-M189 HydrophobicContact CD2-CE 3.95Å; W176-M189 HydrophobicContact CE3-CB 4.26Å; W176-M189 HydrophobicContact CE3-CE 4.08Å; W176-M189 HydrophobicContact CG-CE 3.87Å; M177-M189 CarbonylContact O-C 3.49Å; M177-M189 WeakPolarHBondContact O-CA 3.06Å; Y178-M189 HydrophobicContact CD2-CG 4.27Å
190L91.5Very high88.2Confident0 Ų071.1 Ų71.10%035%0.347CS..EExtended strand (participates in β ladder)trans-144.8145.5178.160.4107.2000110.9V158 F160 I166 M177 A192 V195V158-L190 HydrophobicContact CG1-CB 4.05Å; V158-L190 HydrophobicContact CG1-CD2 3.95Å; F160-L190 HydrophobicContact CE1-CB 3.67Å; F160-L190 HydrophobicContact CZ-CB 4.37Å; I166-L190 HydrophobicContact CG2-CD2 3.75Å; M177-L190 HydrophobicContact CB-CD1 4.02Å; M177-L190 HydrophobicContact CB-CG 4.17Å; M177-L190 PolarHBondContact N-O 3.09Å; M177-L190 PolarHBondContact O-N 2.88Å; L190-A192 PolarHBondContact O-N 2.97Å; L190-V195 HydrophobicContact CD1-CB 4.44Å; L190-V195 HydrophobicContact CD1-CG1 3.8Å; L190-V195 HydrophobicContact CD1-CG2 3.72Å
191P89.2Confident88Confident13 Ų1369.6 Ų69.68%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-70.8126.3179.626.5-33.1000111.3Y150 G175 N193 Y194Y150-P191 HydrophobicContact CD2-CG 3.78Å; Y150-P191 HydrophobicContact CE1-CG 4.48Å; Y150-P191 HydrophobicContact CE2-CG 3.73Å; Y150-P191 HydrophobicContact CG-CG 4.19Å; G175-P191 CarbonylContact O-C 3.57Å; G175-P191 WeakPolarHBondContact O-CA 3.25Å; P191-N193 PolarHBondContact O-N 3.43Å; P191-N193 VanDerWaalsContact O-N 3.17Å; P191-Y194 HydrophobicContact CB-CD2 3.72Å; P191-Y194 HydrophobicContact CB-CE2 4.22Å; P191-Y194 HydrophobicContact CB-CG 4.37Å; P191-Y194 HydrophobicContact CG-CD1 4.37Å; P191-Y194 HydrophobicContact CG-CD2 3.51Å; P191-Y194 HydrophobicContact CG-CE2 4.07Å; P191-Y194 HydrophobicContact CG-CG 3.71Å; P191-Y194 PolarHBondContact O-N 3.35Å; P191-Y194 VanDerWaalsContact O-N 3.11Å
192A89.2Confident87.7Confident18 Ų1873.7 Ų73.715%0.14937%0.366CS..G310 helixtrans-58.6-31.6-177.200000113.2G175 M177 L190 Y194G175-A192 PolarHBondContact O-N 3.06Å; M177-A192 HydrophobicContact CG-CB 3.72Å; M177-A192 HydrophobicContact SD-CB 3.94Å; L190-A192 PolarHBondContact O-N 2.97Å; A192-Y194 PolarHBondContact O-N 3.31Å
193N90Very high87.5Confident129 Ų12971.3 Ų71.369%0.6936%0.356SS*.G310 helixtrans-74.9-3.9-178.6-61.7-62.6000114.3P191P191-N193 PolarHBondContact O-N 3.43Å; P191-N193 VanDerWaalsContact O-N 3.17Å
194Y87.8Confident87.5Confident90 Ų9067 Ų6735%0.35335%0.346SS..G310 helixtrans-103.2-1.4-177.7-75.3-121.1000112.4A146 V147 Y148 Y150 P191 A192A146-Y194 WeakPolarHBondContact CA-O 3.38Å; V147-Y194 PolarHBondContact N-O 2.93Å; Y148-Y194 HydrophobicContact CD2-CD1 4.3Å; Y148-Y194 HydrophobicContact CD2-CG 4.47Å; Y150-Y194 HydrophobicContact CD2-CD1 4.17Å; Y150-Y194 HydrophobicContact CD2-CE1 4.08Å; P191-Y194 HydrophobicContact CB-CD2 3.72Å; P191-Y194 HydrophobicContact CB-CE2 4.22Å; P191-Y194 HydrophobicContact CB-CG 4.37Å; P191-Y194 HydrophobicContact CG-CD1 4.37Å; P191-Y194 HydrophobicContact CG-CD2 3.51Å; P191-Y194 HydrophobicContact CG-CE2 4.07Å; P191-Y194 HydrophobicContact CG-CG 3.71Å; P191-Y194 PolarHBondContact O-N 3.35Å; P191-Y194 VanDerWaalsContact O-N 3.11Å; A192-Y194 PolarHBondContact O-N 3.31Å
195V87.4Confident87.5Confident9 Ų968.1 Ų68.16%0.05535%0.348CS..EExtended strand (participates in β ladder)trans-134.4131.9-174.6-62.10000111.6Y144 R145 F160 I166 M177 L190Y144-V195 HydrophobicContact CD1-CG2 4.29Å; R145-V195 WeakPolarHBondContact O-CA 3.39Å; F160-V195 HydrophobicContact CE2-CG1 4.28Å; F160-V195 HydrophobicContact CZ-CG1 4.26Å; I166-V195 HydrophobicContact CG1-CG1 4.01Å; M177-V195 HydrophobicContact SD-CG2 3.78Å; L190-V195 HydrophobicContact CD1-CB 4.44Å; L190-V195 HydrophobicContact CD1-CG1 3.8Å; L190-V195 HydrophobicContact CD1-CG2 3.72Å
196D88.2Confident87.5Confident92 Ų9269.7 Ų69.749%0.49234%0.337SS..EExtended strand (participates in β ladder)trans-101.6140.1176.1-84.3-24000110.8Y144 R145 V147Y144-D196 CarbonylContact C-O 3.46Å; Y144-D196 WeakPolarHBondContact CA-O 3.3Å; R145-D196 PolarHBondContact N-O 3.01Å; R145-D196 PolarHBondContact O-N 2.84Å; V147-D196 HydrophobicContact CG2-CB 3.93Å; V147-D196 WeakPolarHBondContact CG2-OD2 3.31Å
197E87.8Confident88Confident103 Ų10366.7 Ų66.748%0.48132%0.324SS..EExtended strand (participates in β ladder)trans-74.1137.5172.5-161.9167161.300110.7R142 Y144R142-E197 WeakPolarHBondContact CD-OE1 3.22Å; R142-E197 WeakPolarHBondContact CG-OE1 3.44Å; R142-E197 IonicContact CZ-OE1 3.54Å; R142-E197 IonicContact NE-OE1 3.36Å; R142-E197 PolarHBondContact NE-OE1 3.19Å; R142-E197 IonicContact NH1-OE1 2.77Å; R142-E197 PolarHBondContact NH1-OE1 3.13Å; R142-E197 IonicContact NH1-OE2 2.69Å; Y144-E197 HydrophobicContact CD1-CB 3.83Å; Y144-E197 HydrophobicContact CD1-CG 4.28Å; Y144-E197 HydrophobicContact CE1-CB 3.47Å; Y144-E197 VanDerWaalsContact CE1-CB 3.47Å; Y144-E197 HydrophobicContact CE1-CG 3.71Å; Y144-E197 HydrophobicContact CE2-CG 4.4Å; Y144-E197 VanDerWaalsContact OH-CD 3.22Å; Y144-E197 PolarHBondContact OH-OE2 2.83Å
198F72.7Confident87.8Confident199 Ų19963.7 Ų63.787%0.87331%0.311SS*.  trans-131.80179.8-169.9-80.4000112.6R143R143-F198 PolarHBondContact O-N 3.49Å

Retrieved 198 of 198 residues in 280.7 ms (Link to these results)