X5DQT8_HUMAN Loading...

Cadherin 10 type 2 isoform C

Cadherins are calcium-dependent cell adhesion proteins.

AlphaFold DB , UniProt , Accession X5DQT8, Species HUMAN (Homo sapiens, Human), Gene CDH10, Length 243 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
1M55.4Low74.1Confident193 Ų193126.5 Ų126.595%0.95163%0.629SS**  0122.40-66.4172.18500107.3
2T80.3Confident73.6Confident98 Ų98128.5 Ų128.560%0.60163%0.631SS**  trans-83.1152.3-171.752.90000110.7H4 Q5T2-H4 PolarHBondContact O-N 2.89Å; T2-Q5 PolarHBondContact O-N 2.95Å
3I83.1Confident72.9Confident143 Ų143132.7 Ų132.773%0.73364%0.636SS**Hα-helixtrans-51.1-28.3-174.7-67.7160.9000112.8Q5 F6 L7I3-Q5 VanDerWaalsContact C-N 3.34Å; I3-Q5 PolarHBondContact O-N 2.83Å; I3-F6 PolarHBondContact O-N 3.48Å; I3-L7 PolarHBondContact O-N 3.09Å
4H75Confident72.6Confident142 Ų142129.6 Ų129.666%0.65763%0.629SS**Hα-helixtrans-63.2-32175.6-67.9-59000114.5T2 L8T2-H4 PolarHBondContact O-N 2.89Å; H4-L8 PolarHBondContact O-N 2.77Å
5Q74.3Confident71.3Confident99 Ų99127.2 Ų127.246%0.46363%0.63SS.*Hα-helixtrans-70.6-34.6175.7-84.8-179.9-30.300112.3T2 I3 L9T2-Q5 PolarHBondContact O-N 2.95Å; I3-Q5 VanDerWaalsContact C-N 3.34Å; I3-Q5 PolarHBondContact O-N 2.83Å; Q5-L9 PolarHBondContact O-N 3.18Å
6F79.1Confident70.1Confident150 Ų150125.5 Ų125.566%0.65862%0.623SS**Hα-helixtrans-68.5-39.9175.8-107.7-86.6000111.9I3 L8 L9 F10I3-F6 PolarHBondContact O-N 3.48Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.27Å; F6-L9 PolarHBondContact O-N 3.4Å; F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.23Å
7L77.2Confident69Low97 Ų97124.2 Ų124.251%0.50863%0.626SS.*Hα-helixtrans-68.2-34.4-179-138.7153.1000111.8I3 L11I3-L7 PolarHBondContact O-N 3.09Å; L7-L11 HydrophobicContact CD2-CD1 3.85Å; L7-L11 HydrophobicContact CD2-CG 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.23Å
8L73.6Confident68Low126 Ų126126.7 Ų126.766%0.6664%0.635SS**Hα-helixtrans-68.6-43.1174-81.6168000112.9H4 F6 F10 F12H4-L8 PolarHBondContact O-N 2.77Å; F6-L8 VanDerWaalsContact C-N 3.33Å; F6-L8 PolarHBondContact O-N 3.27Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F12 WeakPolarHBondContact O-CB 3.26Å; L8-F12 PolarHBondContact O-N 3.17Å
9L72.3Confident66.6Low120 Ų120130.2 Ų130.263%0.62865%0.646SS**Hα-helixtrans-67-36.2175.6-74.4169.8000111.9Q5 F6 F12 W13Q5-L9 PolarHBondContact O-N 3.18Å; F6-L9 PolarHBondContact O-N 3.4Å; L9-F12 PolarHBondContact O-N 2.7Å; L9-W13 PolarHBondContact O-N 2.96Å
10F74.8Confident65Low132 Ų132130.1 Ų130.158%0.57966%0.657SS**Hα-helixtrans-67.4-43.9176.7-170.1-101.4000112.1F6 L8 F12 W13 V14F6-F10 WeakPolarHBondContact O-CB 3.46Å; F6-F10 PolarHBondContact O-N 3.23Å; L8-F10 VanDerWaalsContact C-N 3.33Å; F10-F12 VanDerWaalsContact C-N 3.3Å; F10-F12 PolarHBondContact O-N 3.46Å; F10-W13 PolarHBondContact O-N 3.44Å; F10-V14 HydrophobicContact CD1-CG2 4.11Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 4.41Å; F10-V14 HydrophobicContact CZ-CG2 3.97Å; F10-V14 VanDerWaalsContact O-CG2 3.27Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 2.87Å
11L70.8Confident64Low92 Ų92129.2 Ų129.248%0.48266%0.663SS.*Hα-helixtrans-63.1-36.4173.8-85.6164.6000112.3L7 W13 V14 C15L7-L11 HydrophobicContact CD2-CD1 3.85Å; L7-L11 HydrophobicContact CD2-CG 4.43Å; L7-L11 WeakPolarHBondContact O-CB 3.33Å; L7-L11 PolarHBondContact O-N 3.23Å; L11-W13 VanDerWaalsContact C-N 3.34Å; L11-V14 PolarHBondContact O-N 3.21Å; L11-C15 WeakPolarHBondContact O-CB 3.47Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 VanDerWaalsContact O-N 3.08Å; L11-C15 PolarHBondContact O-SG 3.25Å
12F68.1Low63.4Low150 Ų150125.9 Ų125.966%0.65866%0.655SS**Hα-helixtrans-67.2-35.7176-156.2-96.3000112.2L8 L9 F10 L16L8-F12 WeakPolarHBondContact O-CB 3.26Å; L8-F12 PolarHBondContact O-N 3.17Å; L9-F12 PolarHBondContact O-N 2.7Å; F10-F12 VanDerWaalsContact C-N 3.3Å; F10-F12 PolarHBondContact O-N 3.46Å; F12-L16 HydrophobicContact CD1-CD1 4.1Å; F12-L16 HydrophobicContact CE1-CD1 3.95Å; F12-L16 HydrophobicContact CZ-CD1 4.47Å; F12-L16 VanDerWaalsContact O-CD1 3.23Å; F12-L16 WeakPolarHBondContact O-CD1 3.26Å
13W63.6Low61.4Low183 Ų183128.5 Ų128.569%0.69366%0.661SS**Hα-helixtrans-72.8-35.4176.1-159.562.3000112.8L9 F10 L11L9-W13 PolarHBondContact O-N 2.96Å; F10-W13 PolarHBondContact O-N 3.44Å; L11-W13 VanDerWaalsContact C-N 3.34Å
14V69.3Low59.7Low89 Ų89128.6 Ų128.654%0.53966%0.661SS.*Hα-helixtrans-78.5-23.4-179174.20000112.8F10 L11F10-V14 HydrophobicContact CD1-CG2 4.11Å; F10-V14 HydrophobicContact CE1-CG2 3.81Å; F10-V14 HydrophobicContact CE2-CG2 4.41Å; F10-V14 HydrophobicContact CZ-CG2 3.97Å; F10-V14 VanDerWaalsContact O-CG2 3.27Å; F10-V14 WeakPolarHBondContact O-CG2 3.36Å; F10-V14 PolarHBondContact O-N 2.87Å; L11-V14 PolarHBondContact O-N 3.21Å
15C53.4Low58Low94 Ų94128.9 Ų128.964%0.63567%0.665SS**THydrogen-bonded Turntrans-96.9-0.1-178.1-69.70000115.5L11 P17L11-C15 WeakPolarHBondContact O-CB 3.47Å; L11-C15 PolarHBondContact O-N 3.15Å; L11-C15 VanDerWaalsContact O-N 3.08Å; L11-C15 PolarHBondContact O-SG 3.25Å; C15-P17 WeakPolarHBondContact O-CD 3.46Å
16L51.5Low56.4Low100 Ų100133.4 Ų133.452%0.52468%0.683SS.*SBendtrans-79.8117.7167.5-99.580.7000109.1F12 H18F12-L16 HydrophobicContact CD1-CD1 4.1Å; F12-L16 HydrophobicContact CE1-CD1 3.95Å; F12-L16 HydrophobicContact CZ-CD1 4.47Å; F12-L16 VanDerWaalsContact O-CD1 3.23Å; F12-L16 WeakPolarHBondContact O-CD1 3.26Å; L16-H18 PolarHBondContact O-N 3.44Å; L16-H18 VanDerWaalsContact O-N 3.08Å
17P51.4Low54.2Low104 Ų104136.5 Ų136.568%0.67569%0.69SS**  trans-64.3118.4174.127.4-32.2000108.5C15 F19C15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-F19 HydrophobicContact CB-CD2 4.27Å; P17-F19 PolarHBondContact O-N 2.82Å
18H51.4Low52.1Low169 Ų169143.1 Ų143.178%0.78271%0.709SS**  trans-62.681.2167.3-66.9-49.9000109.7L16L16-H18 PolarHBondContact O-N 3.44Å; L16-H18 VanDerWaalsContact O-N 3.08Å
19F41.4Very low50.3Low193 Ų193143.1 Ų143.185%0.84671%0.714SS**  trans-98.189.6164.7-103.6-85.1000108.8P17P17-F19 HydrophobicContact CB-CD2 4.27Å; P17-F19 PolarHBondContact O-N 2.82Å
20C34.8Very low48.7Very low127 Ų127143 Ų14386%0.85872%0.721SS**  trans-171.393.6143.2-115.80000109.8
21S44.5Very low46.9Very low113 Ų113143.1 Ų143.179%0.7973%0.732SS**  trans-91.1129.7153.7-650000108.1
22P42.8Very low45.2Very low122 Ų122144 Ų14479%0.79274%0.743SS**  trans-95.181.8162.634.4-24.4000108.3
23E38Very low44Very low154 Ų154145.9 Ų145.972%0.7275%0.754SS**  trans-99.495.4164-97.2-79.7155.400107M25E23-M25 VanDerWaalsContact C-N 3.25Å; E23-M25 PolarHBondContact O-N 2.98Å
24I46.4Very low43Very low144 Ų144145.9 Ų145.974%0.73876%0.761SS**  trans-74.585.4170.4-60.7173.7000106.6F26I24-F26 HydrophobicContact CG2-CD2 4.23Å; I24-F26 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact O-N 3.12Å
25M40.3Very low41.3Very low148 Ų148153.2 Ų153.273%0.72978%0.779SS**  trans-71.1102.2164.1-82.1-164.9-172.300109.3E23 R27E23-M25 VanDerWaalsContact C-N 3.25Å; E23-M25 PolarHBondContact O-N 2.98Å; M25-R27 VanDerWaalsContact C-N 3.27Å; M25-R27 PolarHBondContact O-N 3.41Å
26F40.6Very low40.7Very low195 Ų195156.3 Ų156.386%0.85579%0.788SS**  trans-65.888.2157-112.2-92.5000108.7I24I24-F26 HydrophobicContact CG2-CD2 4.23Å; I24-F26 PolarHBondContact O-N 2.96Å; I24-F26 VanDerWaalsContact O-N 3.12Å
27R31.7Very low40Very low214 Ų214159.7 Ų159.781%0.80881%0.806SS**  trans-102.5101.1169.7-139.8-176.2-157.2-113.45.3108.9M25 T29M25-R27 VanDerWaalsContact C-N 3.27Å; M25-R27 PolarHBondContact O-N 3.41Å; R27-T29 PolarHBondContact O-N 3.5Å
28R33.9Very low39.7Very low237 Ų237159.8 Ų159.889%0.89481%0.809SS**PPolyproline II helixtrans-56.7116.3162.9-78177.7178159-0.3108.2
29T36.3Very low39.1Very low126 Ų126156.6 Ų156.677%0.77381%0.806SS**PPolyproline II helixtrans-87.4135.3165.741.30000109.4R27R27-T29 PolarHBondContact O-N 3.5Å
30P38.8Very low39.2Very low118 Ų118159 Ų15977%0.76681%0.809SS**PPolyproline II helixtrans-76.7147.5175.330.9-30.7000110.7
31V35.2Very low39.8Very low133 Ų133158.9 Ų158.981%0.80680%0.804SS**PPolyproline II helixtrans-54.8126.5179.7177.60000111.6
32P36.7Very low39.9Very low110 Ų110158.9 Ų158.971%0.71480%0.802SS**  trans-93.2110.1161.219.4-3000109.6Q34P32-Q34 PolarHBondContact O-N 3.15Å
33Q43Very low40.2Very low190 Ų190164.8 Ų164.889%0.88881%0.808SS**  trans-71109167.4-175.2163.7-25.600108.7
34Q40.8Very low41.3Very low183 Ų183162.3 Ų162.386%0.85581%0.808SS**  trans-116.2125.9172.4-83.4-174.2-16.800112.7P32P32-Q34 PolarHBondContact O-N 3.15Å
35R34.8Very low41.9Very low243 Ų243162.8 Ų162.892%0.91781%0.812SS**  trans-66.1141-174.6-144.1177.6-70.9-164.9-2.2110.2L37R35-L37 PolarHBondContact O-N 3.39Å
36I40.7Very low43.1Very low160 Ų160159 Ų15982%0.82181%0.812SS**  trans-53.1127.4176.5-62.2164000110.9
37L37.2Very low44.4Very low170 Ų170158.7 Ų158.789%0.8981%0.81SS**  trans-143.3119.9147.6-141.182.9000108.6R35 S39R35-L37 PolarHBondContact O-N 3.39Å; L37-S39 PolarHBondContact O-N 3.42Å
38S44.3Very low46Very low107 Ų107156.1 Ų156.175%0.74881%0.81SS**  trans-65.8121.6-175.167.90000111.8
39S39.6Very low47.7Very low102 Ų102152.6 Ų152.671%0.71381%0.808SS**  trans-108.2121.1154.257.30000108.1L37 V41L37-S39 PolarHBondContact O-N 3.42Å; S39-V41 PolarHBondContact O-N 3.48Å; S39-V41 VanDerWaalsContact O-N 3.14Å
40R42.3Very low49.3Very low243 Ų243153.5 Ų153.592%0.91780%0.803SS**  trans-68.8107.4176.2-67.4179.1-169.6177.63108.1
41V48.1Very low50.9Low124 Ų124157.9 Ų157.975%0.75281%0.805SS**  trans-76.2129.1168.7179.30000108S39 R43S39-V41 PolarHBondContact O-N 3.48Å; S39-V41 VanDerWaalsContact O-N 3.14Å; V41-R43 PolarHBondContact O-N 3.34Å
42P47.4Very low52.7Low114 Ų114158.5 Ų158.574%0.7480%0.799SS**  trans-64.4129.7174.326.4-30.8000108.9S44P42-S44 PolarHBondContact O-N 2.94Å
43R49Very low54.1Low245 Ų245161.9 Ų161.993%0.92580%0.802SS**  trans-59.5100.6-176.7-154.6173-173160-0.7108.4V41 D45V41-R43 PolarHBondContact O-N 3.34Å; R43-D45 PolarHBondContact O-N 3.39Å
44S59.7Low55.4Low103 Ų103164 Ų16472%0.7280%0.802SS**  trans-65122.316962.30000107.5P42 G46P42-S44 PolarHBondContact O-N 2.94Å; S44-G46 PolarHBondContact O-N 3.47Å
45D59.3Low56.6Low153 Ų153158.3 Ų158.382%0.81879%0.793SS**  trans-50110.8169.6-72.6-37.8000108.5R43 K47R43-D45 PolarHBondContact O-N 3.39Å; D45-K47 PolarHBondContact O-N 3.04Å
46G65.5Low58Low70 Ų70156.5 Ų156.572%0.72279%0.786SS**  trans-6974.5-173.800000111.3S44 I48S44-G46 PolarHBondContact O-N 3.47Å; G46-I48 VanDerWaalsContact C-N 3.32Å; G46-I48 PolarHBondContact O-N 2.99Å
47K69Low58.7Low187 Ų187155.3 Ų155.381%0.81378%0.779SS**  trans-68.999.7156.8-77.9-177.6179.8178.90106.4D45 L49D45-K47 PolarHBondContact O-N 3.04Å; K47-L49 PolarHBondContact O-N 3.43Å
48I65.1Low60Low161 Ų161156.8 Ų156.883%0.82677%0.773SS**  trans-53.4107170.3-66.2161000106.7G46 H50G46-I48 VanDerWaalsContact C-N 3.32Å; G46-I48 PolarHBondContact O-N 2.99Å; I48-H50 VanDerWaalsContact C-N 3.33Å; I48-H50 PolarHBondContact O-N 2.87Å
49L69.9Low61.6Low163 Ų163158.4 Ų158.485%0.85377%0.773SS**  trans-71.896.7172.8-66178.2000106.8K47 R51K47-L49 PolarHBondContact O-N 3.43Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 2.88Å
50H69.2Low63.8Low144 Ų144158.4 Ų158.467%0.66776%0.762SS**  trans-69.396.6173.5-169.1-21.2000108.2I48 Q52I48-H50 VanDerWaalsContact C-N 3.33Å; I48-H50 PolarHBondContact O-N 2.87Å; H50-Q52 PolarHBondContact O-N 2.81Å
51R73.1Confident65.9Low210 Ų210151.8 Ų151.879%0.79274%0.74SS**  trans-69.9114.7165.8-178.5176.1177.5-120.32.4107.7L49L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 2.88Å
52Q72.2Confident67.8Low146 Ų146153.6 Ų153.668%0.68274%0.738SS**  trans-75.9120.3165.1-69.8-103.1-53.700107.2H50 R54H50-Q52 PolarHBondContact O-N 2.81Å; Q52-R54 PolarHBondContact O-N 2.85Å; Q52-R54 VanDerWaalsContact O-N 3.13Å
53K66.6Low69.8Low182 Ų182150.9 Ų150.979%0.79172%0.717SS**  trans-69.4110.1173-172.7178.6179.5-177.20106.6G55K53-G55 PolarHBondContact O-N 3.49Å
54R69.6Low71.4Confident233 Ų233144.9 Ų144.988%0.87970%0.702SS**PPolyproline II helixtrans-62.6119.6170.8-61.8-177.983.6-159.84.9107Q52Q52-R54 PolarHBondContact O-N 2.85Å; Q52-R54 VanDerWaalsContact O-N 3.13Å
55G65.1Low72.6Confident64 Ų64144.8 Ų144.866%0.6669%0.69SS**PPolyproline II helixtrans-64.8159.1173.200000110.5K53K53-G55 PolarHBondContact O-N 3.49Å
56W65.7Low73.8Confident205 Ų205143.1 Ų143.178%0.77768%0.678SS**PPolyproline II helixtrans-74.3133.3170.9-67.696.5000109.9W58W56-W58 HydrophobicContact CB-CD2 4.41Å; W56-W58 HydrophobicContact CB-CG 4.21Å; W56-W58 HydrophobicContact CB-CZ2 4.37Å; W56-W58 AromaticContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CE3-CH2 4.35Å; W56-W58 AromaticContact CE3-CZ2 3.79Å; W56-W58 HydrophobicContact CE3-CZ2 3.79Å; W56-W58 AromaticContact CG-CE2 3.98Å; W56-W58 HydrophobicContact CG-CZ2 4.17Å; W56-W58 AromaticContact CG-NE1 3.5Å; W56-W58 HydrophobicContact CZ3-CZ2 4.37Å
57M55.8Low74.4Confident136 Ų136143.5 Ų143.567%0.6766%0.658SS**  trans-94.589.4170.8-59.9-172.6-48.200108.1N59M57-N59 VanDerWaalsContact C-N 3.34Å
58W62.8Low75Confident200 Ų200140.6 Ų140.676%0.75866%0.656SS**  trans-89.3-0180-68.2112.4000113.4W56 Q60W56-W58 HydrophobicContact CB-CD2 4.41Å; W56-W58 HydrophobicContact CB-CG 4.21Å; W56-W58 HydrophobicContact CB-CZ2 4.37Å; W56-W58 AromaticContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CD2-CZ2 3.9Å; W56-W58 HydrophobicContact CE3-CH2 4.35Å; W56-W58 AromaticContact CE3-CZ2 3.79Å; W56-W58 HydrophobicContact CE3-CZ2 3.79Å; W56-W58 AromaticContact CG-CE2 3.98Å; W56-W58 HydrophobicContact CG-CZ2 4.17Å; W56-W58 AromaticContact CG-NE1 3.5Å; W56-W58 HydrophobicContact CZ3-CZ2 4.37Å; W58-Q60 PolarHBondContact O-N 3.17Å
59N79.3Confident75.7Confident142 Ų142134.5 Ų134.576%0.75963%0.633SS**  trans-96.939.9-171.763-52.5000113M57M57-N59 VanDerWaalsContact C-N 3.34Å
60Q85.1Confident76.2Confident102 Ų102132.3 Ų132.348%0.47763%0.631SS.*  trans-134.2142.4174.781.4-174.614.900110.9W58 F62W58-Q60 PolarHBondContact O-N 3.17Å; Q60-F62 HydrophobicContact CG-CE2 4.18Å; Q60-F62 HydrophobicContact CG-CZ 4.27Å
61F87.4Confident77Confident104 Ų104131 Ų13146%0.45663%0.629SS.*  trans-112.4153.8171-62.9-72.9000109.6V75 I111F61-V75 HydrophobicContact CB-CG1 3.61Å; F61-V75 HydrophobicContact CD2-CG1 4.46Å; F61-V75 HydrophobicContact CG-CG1 4Å; F61-I111 HydrophobicContact CE2-CD1 4.05Å; F61-I111 HydrophobicContact CZ-CD1 4.44Å
62F88.1Confident77.9Confident162 Ų162127.8 Ų127.871%0.71162%0.618SS**  trans-117.5135.4178.4-62.4-82.9000109.4Q60Q60-F62 HydrophobicContact CG-CE2 4.18Å; Q60-F62 HydrophobicContact CG-CZ 4.27Å
63L87.8Confident78.9Confident57 Ų57121.7 Ų121.730%0.29859%0.59SS.*  trans-118148.1175.5-77.578.9000109.7V75 F102 A113 I117L63-V75 HydrophobicContact CD1-CB 4.26Å; L63-V75 HydrophobicContact CD1-CG1 3.53Å; L63-V75 HydrophobicContact CD1-CG2 3.98Å; L63-V75 HydrophobicContact CD2-CG2 3.72Å; L63-V75 HydrophobicContact CG-CG1 4.33Å; L63-V75 HydrophobicContact CG-CG2 3.91Å; L63-F102 HydrophobicContact CD2-CE1 3.8Å; L63-A113 HydrophobicContact CD2-CB 3.78Å; L63-I117 HydrophobicContact CD2-CD1 3.57Å
64L84.3Confident80.2Confident119 Ų119119 Ų11962%0.62358%0.576SS**  trans-78.2124.3167.7-172.469.9000108.5Q73L64-Q73 VanDerWaalsContact CB-NE2 3.34Å; L64-Q73 PolarHBondContact O-NE2 3.49Å; L64-Q73 PolarHBondContact O-OE1 3Å
65E84.1Confident81.3Confident100 Ų100108.8 Ų108.847%0.46754%0.539SS..THydrogen-bonded Turntrans-63.3154.4172.366.3-165.3-172.300111.3Y67E65-Y67 PolarHBondContact O-N 3.29Å
66E83.4Confident82.6Confident118 Ų118106.1 Ų106.155%0.55151%0.511SS*.THydrogen-bonded Turntrans5228.2175.6-57.9-165.1151.800115.4T68 R116 I117E66-T68 WeakPolarHBondContact O-CG2 3.45Å; E66-T68 PolarHBondContact O-N 3.37Å; E66-T68 VanDerWaalsContact O-N 3.09Å; E66-R116 PolarHBondContact O-NE 3.43Å; E66-R116 PolarHBondContact O-NH2 3.15Å; E66-I117 PolarHBondContact N-O 3.38Å
67Y79.6Confident83.8Confident79 Ų79101.3 Ų101.331%0.3150%0.496SS..  trans-48.6121.4-178.5-178.8-107.8000112E65 D71 Q73 R116E65-Y67 PolarHBondContact O-N 3.29Å; Y67-D71 WeakPolarHBondContact CE1-O 3.47Å; Y67-Q73 HydrophobicContact CD1-CB 3.83Å; Y67-Q73 HydrophobicContact CD1-CG 4.28Å; Y67-Q73 HydrophobicContact CD2-CG 4.36Å; Y67-Q73 HydrophobicContact CE1-CB 4.1Å; Y67-Q73 HydrophobicContact CG-CB 4.17Å; Y67-Q73 HydrophobicContact CG-CG 4.13Å; Y67-R116 WeakPolarHBondContact O-CD 3.19Å; Y67-R116 VanDerWaalsContact O-CG 3.26Å; Y67-R116 WeakPolarHBondContact O-CG 3.32Å; Y67-R116 PolarHBondContact O-NE 2.9Å
68T80.7Confident85.5Confident125 Ų12596.6 Ų96.677%0.76747%0.473SS*.  trans-98.48.7-174.847.90000113.5E66E66-T68 WeakPolarHBondContact O-CG2 3.45Å; E66-T68 PolarHBondContact O-N 3.37Å; E66-T68 VanDerWaalsContact O-N 3.09Å
69G80.3Confident86.7Confident33 Ų3392.8 Ų92.834%0.3446%0.463SS..  trans-68.5154.2176.500000112.4D71G69-D71 VanDerWaalsContact C-N 3.26Å
70S80.3Confident87Confident117 Ų11786.7 Ų86.782%0.81843%0.432SS*.SBendtrans-73.6-20.4175.1540000113.2
71D85.8Confident86.8Confident118 Ų11889 Ų8963%0.63145%0.447SS*.SBendtrans-106.8168.2-169.5-57.1-10.5000110.8Y67 G69 Q73Y67-D71 WeakPolarHBondContact CE1-O 3.47Å; G69-D71 VanDerWaalsContact C-N 3.26Å; D71-Q73 PolarHBondContact O-N 3.44Å
72Y92.6Very high86.5Confident141 Ų14185.7 Ų85.755%0.55343%0.433SS*.PPolyproline II helixtrans-64.5135175.3-59.2-29.3000111.1Y74 I103 A113 T114Y72-Y74 PolarHBondContact O-N 2.91Å; Y72-I103 HydrophobicContact CD2-CD1 3.61Å; Y72-I103 HydrophobicContact CE2-CD1 3.55Å; Y72-A113 CarbonylContact C-O 3.59Å; Y72-A113 WeakPolarHBondContact CA-O 3.4Å; Y72-A113 WeakPolarHBondContact CB-O 3.4Å; Y72-T114 HydrophobicContact CD1-CG2 4.2Å; Y72-T114 HydrophobicContact CE1-CG2 3.96Å; Y72-T114 HydrophobicContact CE2-CG2 4.33Å; Y72-T114 HydrophobicContact CG-CG2 4.47Å
73Q93.1Very high86.3Confident18 Ų1879.6 Ų79.68%0.08441%0.408CS..EExtended strand (participates in β ladder)trans-78.1123.1-179.1-177.3-18017.200109.7L64 Y67 D71 V75 H112 A113L64-Q73 VanDerWaalsContact CB-NE2 3.34Å; L64-Q73 PolarHBondContact O-NE2 3.49Å; L64-Q73 PolarHBondContact O-OE1 3Å; Y67-Q73 HydrophobicContact CD1-CB 3.83Å; Y67-Q73 HydrophobicContact CD1-CG 4.28Å; Y67-Q73 HydrophobicContact CD2-CG 4.36Å; Y67-Q73 HydrophobicContact CE1-CB 4.1Å; Y67-Q73 HydrophobicContact CG-CB 4.17Å; Y67-Q73 HydrophobicContact CG-CG 4.13Å; D71-Q73 PolarHBondContact O-N 3.44Å; Q73-V75 PolarHBondContact O-N 2.78Å; Q73-H112 CarbonylContact O-C 3.35Å; Q73-H112 VanDerWaalsContact O-CA 3.27Å; Q73-H112 WeakPolarHBondContact O-CA 3.25Å; Q73-A113 HydrophobicContact CB-CB 4.32Å; Q73-A113 PolarHBondContact N-O 3.06Å; Q73-A113 PolarHBondContact O-N 3.03Å
74Y93.2Very high86Confident127 Ų12785 Ų8550%0.49843%0.429SS..EExtended strand (participates in β ladder)trans-68.5130174.9-179.7-104.7000111Y72 G76 D110 H112Y72-Y74 PolarHBondContact O-N 2.91Å; Y74-G76 WeakPolarHBondContact CE2-O 3.39Å; Y74-G76 VanDerWaalsContact OH-C 3.28Å; Y74-D110 HydrophobicContact CE2-CB 4.24Å; Y74-H112 AromaticContact CD2-CE1 3.94Å; Y74-H112 AromaticContact CD2-NE2 3.68Å
75V92.6Very high86Confident18 Ų1882.5 Ų82.511%0.10943%0.432CS..EExtended strand (participates in β ladder)trans-103-42.3-176.9175.60000111.3F61 L63 Q73 F102 I111 A113F61-V75 HydrophobicContact CB-CG1 3.61Å; F61-V75 HydrophobicContact CD2-CG1 4.46Å; F61-V75 HydrophobicContact CG-CG1 4Å; L63-V75 HydrophobicContact CD1-CB 4.26Å; L63-V75 HydrophobicContact CD1-CG1 3.53Å; L63-V75 HydrophobicContact CD1-CG2 3.98Å; L63-V75 HydrophobicContact CD2-CG2 3.72Å; L63-V75 HydrophobicContact CG-CG1 4.33Å; L63-V75 HydrophobicContact CG-CG2 3.91Å; Q73-V75 PolarHBondContact O-N 2.78Å; V75-F102 HydrophobicContact CG2-CD1 4.35Å; V75-F102 HydrophobicContact CG2-CE1 4.49Å; V75-I111 HydrophobicContact CB-CB 4.12Å; V75-I111 HydrophobicContact CB-CG2 3.88Å; V75-I111 WeakPolarHBondContact CB-O 2.8Å; V75-I111 HydrophobicContact CG1-CG2 4.16Å; V75-I111 HydrophobicContact CG2-CG2 4.26Å; V75-I111 PolarHBondContact N-O 3.2Å; V75-A113 HydrophobicContact CG2-CB 3.99Å
76G92.3Very high85.9Confident7 Ų782.7 Ų82.77%0.07244%0.436CS..EExtended strand (participates in β ladder)trans159.7-170-173.600000111.7Y74 I111Y74-G76 WeakPolarHBondContact CE2-O 3.39Å; Y74-G76 VanDerWaalsContact OH-C 3.28Å; G76-I111 PolarHBondContact O-N 3.07Å
77K92.6Very high85.9Confident105 Ų10579.6 Ų79.646%0.45744%0.436SS..EExtended strand (participates in β ladder)trans-134.5129.7-178-175.2177.8-168.2178.30110.3T108 G109 D110K77-T108 WeakPolarHBondContact CE-O 3.47Å; K77-G109 CarbonylContact C-O 3.5Å; K77-G109 WeakPolarHBondContact CA-O 3.37Å; K77-D110 VanDerWaalsContact CD-OD1 3.25Å; K77-D110 WeakPolarHBondContact CD-OD1 3.25Å; K77-D110 VanDerWaalsContact CG-OD1 3.29Å; K77-D110 WeakPolarHBondContact CG-OD1 3.45Å
78L90.7Very high86Confident36 Ų3678.7 Ų78.719%0.18844%0.441CS..  trans-84.5132.5167.7-176.461.3000109.1Y91 I104 G109 T129L78-Y91 HydrophobicContact CB-CD1 4.27Å; L78-Y91 HydrophobicContact CD2-CD1 3.6Å; L78-Y91 HydrophobicContact CD2-CE1 4.29Å; L78-Y91 HydrophobicContact CD2-CG 4.43Å; L78-Y91 HydrophobicContact CG-CD1 3.77Å; L78-Y91 HydrophobicContact CG-CE1 4.02Å; L78-I104 HydrophobicContact CB-CD1 4.24Å; L78-I104 HydrophobicContact CD2-CD1 4.3Å; L78-G109 PolarHBondContact N-O 3.1Å; L78-T129 HydrophobicContact CD1-CG2 4.05Å; L78-T129 HydrophobicContact CD2-CG2 3.68Å; L78-T129 HydrophobicContact CG-CG2 4.48Å
79H87.7Confident86.2Confident121 Ų12173 Ų7356%0.5641%0.406SS*.  trans-138.5143.4177-175.659000110.2
80S85.3Confident86.6Confident13 Ų1375.1 Ų75.19%0.09141%0.406CS..  trans-115.5136.1172.2-160.20000107.4Q82 D83 Y91 R131S80-Q82 PolarHBondContact O-N 3.23Å; S80-Q82 VanDerWaalsContact O-N 3.15Å; S80-D83 WeakPolarHBondContact O-CB 3.44Å; S80-D83 PolarHBondContact O-N 3.45Å; S80-Y91 PolarHBondContact N-OH 2.92Å; S80-R131 PolarHBondContact OG-NH1 3.38Å
81D82.4Confident87.1Confident150 Ų15069.9 Ų69.980%0.80237%0.368SS*.THydrogen-bonded Turntrans-50.1-30.9167.954.9-9.6000114.3D83D81-D83 PolarHBondContact O-N 2.97Å
82Q79.3Confident87.4Confident35 Ų3567.4 Ų67.416%0.16435%0.354CS..THydrogen-bonded Turntrans-75.3-9.3176.8-158.8176.223.300113.8S80 K84 L89 A135 E138S80-Q82 PolarHBondContact O-N 3.23Å; S80-Q82 VanDerWaalsContact O-N 3.15Å; Q82-K84 PolarHBondContact O-N 2.92Å; Q82-L89 HydrophobicContact CB-CD1 4.31Å; Q82-A135 PolarHBondContact NE2-O 3.43Å; Q82-A135 PolarHBondContact OE1-O 3.44Å; Q82-E138 PolarHBondContact NE2-OE2 3.08Å
83D84.3Confident87.4Confident34 Ų3461.6 Ų61.618%0.18233%0.333CS..  trans-75.4107.1-179.7-169.67.2000111.1S80 D81 G85 L89 Y91S80-D83 WeakPolarHBondContact O-CB 3.44Å; S80-D83 PolarHBondContact O-N 3.45Å; D81-D83 PolarHBondContact O-N 2.97Å; D83-G85 VanDerWaalsContact C-N 3.26Å; D83-G85 PolarHBondContact OD1-N 3.18Å; D83-L89 HydrophobicContact CB-CD1 3.68Å; D83-Y91 WeakPolarHBondContact CB-OH 3.22Å; D83-Y91 PolarHBondContact OD2-OH 2.88Å; D83-Y91 VanDerWaalsContact OD2-OH 3.1Å
84K82.7Confident87.3Confident172 Ų17263.5 Ų63.575%0.74835%0.348SS*.  trans-83.1-3.5175.5-64.2177.7-176.1172.60112.5Q82 D86Q82-K84 PolarHBondContact O-N 2.92Å; K84-D86 PolarHBondContact O-N 2.67Å
85G83.2Confident87.2Confident65 Ų6559.5 Ų59.567%0.6735%0.345SS*.SBendtrans72.713.2-173.700000113.8D83 G87D83-G85 VanDerWaalsContact C-N 3.26Å; D83-G85 PolarHBondContact OD1-N 3.18Å; G85-G87 VanDerWaalsContact C-N 3.3Å
86D83Confident87.2Confident104 Ų10463.4 Ų63.456%0.55637%0.366SS*.SBendtrans-85.8-2.3177.363.8-8.3000113K84 S88K84-D86 PolarHBondContact O-N 2.67Å; D86-S88 VanDerWaalsContact C-N 3.26Å; D86-S88 PolarHBondContact O-N 2.75Å; D86-S88 WeakPolarHBondContact OD1-CB 3.27Å; D86-S88 PolarHBondContact OD1-N 2.67Å; D86-S88 PolarHBondContact OD1-OG 2.84Å
87G81.6Confident87.1Confident53 Ų5363.9 Ų63.955%0.54637%0.371SS..SBendtrans74.114.2-176.900000113.9G85 L89G85-G87 VanDerWaalsContact C-N 3.3Å; G87-L89 PolarHBondContact O-N 3.18Å
88S82.5Confident87.1Confident60 Ų6060 Ų6042%0.4236%0.358SS..  trans-66.6-25173.260.30000112.6D86D86-S88 VanDerWaalsContact C-N 3.26Å; D86-S88 PolarHBondContact O-N 2.75Å; D86-S88 WeakPolarHBondContact OD1-CB 3.27Å; D86-S88 PolarHBondContact OD1-N 2.67Å; D86-S88 PolarHBondContact OD1-OG 2.84Å
89L84.2Confident87.1Confident7 Ų761.4 Ų61.44%0.03738%0.381CS..  trans-96.7143.6175.7-63.2-175.3000111.6Q82 D83 G87 A135Q82-L89 HydrophobicContact CB-CD1 4.31Å; D83-L89 HydrophobicContact CB-CD1 3.68Å; G87-L89 PolarHBondContact O-N 3.18Å; L89-A135 HydrophobicContact CD2-CB 3.14Å
90K88.9Confident87.4Confident77 Ų7759.5 Ų59.534%0.33538%0.378SS..  trans-122.1121.6171.1159.1175.7-156.1136.30108.1I92 E106 N132K90-I92 HydrophobicContact CD-CD1 3.9Å; K90-I92 HydrophobicContact CD-CG1 4.09Å; K90-I92 HydrophobicContact CG-CD1 3.99Å; K90-I92 HydrophobicContact CG-CG1 3.7Å; K90-E106 HydrophobicContact CB-CG 4.04Å; K90-E106 VanDerWaalsContact CD-CD 3.48Å; K90-E106 HydrophobicContact CD-CG 4.18Å; K90-E106 WeakPolarHBondContact CD-OE1 3.45Å; K90-E106 WeakPolarHBondContact CE-OE1 3.32Å; K90-E106 WeakPolarHBondContact CE-OE2 3.42Å; K90-E106 HydrophobicContact CG-CB 4.35Å; K90-E106 HydrophobicContact CG-CG 3.66Å; K90-E106 VanDerWaalsContact CG-OE1 3.28Å; K90-E106 WeakPolarHBondContact CG-OE1 3.3Å; K90-E106 IonicContact NZ-OE1 3.91Å; K90-E106 PolarHBondContact NZ-OE1 3.14Å; K90-E106 IonicContact NZ-OE2 3.53Å; K90-E106 PolarHBondContact NZ-OE2 3.23Å; K90-N132 HydrophobicContact CB-CB 4.45Å
91Y90.9Very high87.7Confident6 Ų660.3 Ų60.32%0.02438%0.381CS..EExtended strand (participates in β ladder)trans-85.9130.1174.3-64.7-71.5000110.4L78 S80 D83 E106L78-Y91 HydrophobicContact CB-CD1 4.27Å; L78-Y91 HydrophobicContact CD2-CD1 3.6Å; L78-Y91 HydrophobicContact CD2-CE1 4.29Å; L78-Y91 HydrophobicContact CD2-CG 4.43Å; L78-Y91 HydrophobicContact CG-CD1 3.77Å; L78-Y91 HydrophobicContact CG-CE1 4.02Å; S80-Y91 PolarHBondContact N-OH 2.92Å; D83-Y91 WeakPolarHBondContact CB-OH 3.22Å; D83-Y91 PolarHBondContact OD2-OH 2.88Å; D83-Y91 VanDerWaalsContact OD2-OH 3.1Å; Y91-E106 WeakPolarHBondContact CD2-O 3.44Å; Y91-E106 PolarHBondContact N-O 3.18Å; Y91-E106 WeakPolarHBondContact O-CA 3.33Å
92I91.6Very high88.3Confident66 Ų6653.3 Ų53.334%0.33834%0.343SS..EExtended strand (participates in β ladder)trans-133.3133.8179.8-52177.3000108.4K90 L130K90-I92 HydrophobicContact CD-CD1 3.9Å; K90-I92 HydrophobicContact CD-CG1 4.09Å; K90-I92 HydrophobicContact CG-CD1 3.99Å; K90-I92 HydrophobicContact CG-CG1 3.7Å; I92-L130 HydrophobicContact CB-CB 4.26Å; I92-L130 PolarHBondContact N-O 3.08Å; I92-L130 PolarHBondContact O-N 2.77Å
93L92.4Very high89.1Confident20 Ų2054.4 Ų54.411%0.10535%0.35CS..EExtended strand (participates in β ladder)trans-95.3143.3168.9-68.3-179.8000110.5A98 F102 I104 I111 I127 T129L93-A98 HydrophobicContact CB-CB 4.09Å; L93-F102 HydrophobicContact CD1-CB 4.26Å; L93-I104 HydrophobicContact CB-CG2 4.16Å; L93-I104 HydrophobicContact CD1-CB 3.71Å; L93-I104 HydrophobicContact CD1-CD1 4.36Å; L93-I104 HydrophobicContact CD1-CG2 4.12Å; L93-I104 HydrophobicContact CD2-CD1 4.04Å; L93-I104 HydrophobicContact CG-CB 3.74Å; L93-I104 HydrophobicContact CG-CD1 3.82Å; L93-I104 HydrophobicContact CG-CG1 4.39Å; L93-I104 HydrophobicContact CG-CG2 3.74Å; L93-I111 HydrophobicContact CD1-CD1 4.23Å; L93-I111 HydrophobicContact CD1-CG1 4.14Å; L93-I111 HydrophobicContact CD1-CG2 3.84Å; L93-I111 HydrophobicContact CD2-CD1 4.06Å; L93-I127 HydrophobicContact CB-CG2 4.39Å; L93-I127 HydrophobicContact CD2-CG2 3.83Å; L93-T129 HydrophobicContact CD2-CG2 3.95Å
94S92Very high89.6Confident58 Ų5854.6 Ų54.641%0.40635%0.35SS..EExtended strand (participates in β ladder)trans-138.1163.3175.9-176.90000109.6I127 G128S94-I127 CarbonylContact O-C 3.59Å; S94-I127 WeakPolarHBondContact O-CA 3.27Å; S94-I127 WeakPolarHBondContact O-CG2 3.39Å; S94-G128 PolarHBondContact N-O 3.2Å; S94-G128 PolarHBondContact O-N 3.09Å; S94-G128 VanDerWaalsContact O-O 3.07Å
95G91.5Very high90.1Very high43 Ų4350 Ų5044%0.44333%0.334SS..EExtended strand (participates in β ladder)trans94.6-154.2-179.700000112.7G97 A98G95-G97 PolarHBondContact O-N 2.77Å; G95-A98 WeakPolarHBondContact O-CB 3.37Å; G95-A98 PolarHBondContact O-N 2.88Å
96D92.4Very high90.6Very high100 Ų10050.7 Ų50.754%0.53532%0.32SS..THydrogen-bonded Turntrans-70.1125.5-166-70.6-11.6000111.9A98 F125 D126D96-A98 PolarHBondContact O-N 3.45Å; D96-A98 VanDerWaalsContact O-N 3.17Å; D96-F125 HydrophobicContact CB-CB 4.49Å; D96-F125 HydrophobicContact CB-CD1 4.22Å; D96-D126 PolarHBondContact N-O 2.84Å
97G90.1Very high90.9Very high17 Ų1753.3 Ų53.318%0.17533%0.326CS..THydrogen-bonded Turntrans72.5-1-179.600000115.1G95 G99 T100 L101 F102G95-G97 PolarHBondContact O-N 2.77Å; G97-G99 PolarHBondContact O-N 3.42Å; G97-T100 PolarHBondContact O-N 3.07Å; G97-T100 PolarHBondContact O-OG1 2.99Å; G97-L101 PolarHBondContact O-N 2.82Å; G97-F102 PolarHBondContact O-N 3.38Å
98A93.1Very high91.3Very high24 Ų2452.9 Ų52.920%0.19831%0.313CS..BIsolated β-bridgetrans-62.8135.3177.700000111.8L93 G95 D96 T100L93-A98 HydrophobicContact CB-CB 4.09Å; G95-A98 WeakPolarHBondContact O-CB 3.37Å; G95-A98 PolarHBondContact O-N 2.88Å; D96-A98 PolarHBondContact O-N 3.45Å; D96-A98 VanDerWaalsContact O-N 3.17Å; A98-T100 PolarHBondContact O-N 2.86Å; A98-T100 VanDerWaalsContact O-N 3.15Å
99G90.1Very high91.8Very high64 Ų6450 Ų5066%0.6629%0.293SS*.THydrogen-bonded Turntrans72.8-3.9-178.700000115G97 F102G97-G99 PolarHBondContact O-N 3.42Å; G99-F102 PolarHBondContact N-O 3.08Å
100T92.9Very high92.3Very high81 Ų8151.6 Ų51.650%0.49730%0.302SS..THydrogen-bonded Turntrans-123.6-66.3179.9560000111.3G97 A98 T114G97-T100 PolarHBondContact O-N 3.07Å; G97-T100 PolarHBondContact O-OG1 2.99Å; A98-T100 PolarHBondContact O-N 2.86Å; A98-T100 VanDerWaalsContact O-N 3.15Å; T100-T114 PolarHBondContact O-OG1 2.89Å
101L93.4Very high92.5Very high30 Ų3048.3 Ų48.316%0.15729%0.287CS..THydrogen-bonded Turntrans-81.8-42.7174.5-94.4138.9000111.3G97 A113 T114 R115 I117 F125G97-L101 PolarHBondContact O-N 2.82Å; L101-A113 CarbonylContact O-C 3.58Å; L101-A113 VanDerWaalsContact O-CA 3.26Å; L101-A113 WeakPolarHBondContact O-CA 3.15Å; L101-T114 PolarHBondContact O-N 3.33Å; L101-T114 PolarHBondContact O-OG1 3Å; L101-R115 HydrophobicContact CD2-CB 3.92Å; L101-I117 HydrophobicContact CD2-CG1 4.11Å; L101-F125 HydrophobicContact CD1-CE1 4.44Å
102F95Very high92.7Very high4 Ų450.8 Ų50.82%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-112124-179.8-56.1-73.4000109.8L63 V75 L93 G97 G99 H112 A113 I117 F125 I127L63-F102 HydrophobicContact CD2-CE1 3.8Å; V75-F102 HydrophobicContact CG2-CD1 4.35Å; V75-F102 HydrophobicContact CG2-CE1 4.49Å; L93-F102 HydrophobicContact CD1-CB 4.26Å; G97-F102 PolarHBondContact O-N 3.38Å; G99-F102 PolarHBondContact N-O 3.08Å; F102-H112 WeakPolarHBondContact CA-O 3.29Å; F102-A113 HydrophobicContact CD1-CB 4.14Å; F102-A113 HydrophobicContact CE1-CB 4.1Å; F102-I117 HydrophobicContact CE1-CD1 3.87Å; F102-I117 HydrophobicContact CZ-CD1 3.63Å; F102-F125 HydrophobicContact CE2-CB 3.95Å; F102-F125 AromaticContact CE2-CD1 3.79Å; F102-F125 HydrophobicContact CE2-CD1 3.79Å; F102-F125 AromaticContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CE1 4.25Å; F102-F125 HydrophobicContact CE2-CE2 4.32Å; F102-F125 AromaticContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CZ 4.49Å; F102-F125 HydrophobicContact CZ-CB 4.4Å; F102-F125 HydrophobicContact CZ-CD1 4.43Å; F102-F125 AromaticContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CE2 4.03Å; F102-F125 AromaticContact CZ-CG 3.91Å; F102-F125 HydrophobicContact CZ-CG 3.91Å; F102-I127 HydrophobicContact CB-CD1 4.45Å; F102-I127 HydrophobicContact CD1-CD1 4.48Å; F102-I127 HydrophobicContact CD2-CD1 3.49Å; F102-I127 VanDerWaalsContact CD2-CD1 3.49Å; F102-I127 HydrophobicContact CE2-CD1 3.76Å; F102-I127 HydrophobicContact CG-CD1 3.89Å; F102-I127 HydrophobicContact CZ-CD1 4.36Å
103I95Very high92.8Very high58 Ų5847.7 Ų47.730%0.29728%0.284SS..EExtended strand (participates in β ladder)trans-114.6144.6174.759.2170.4000109Y72 I111 H112 T114Y72-I103 HydrophobicContact CD2-CD1 3.61Å; Y72-I103 HydrophobicContact CE2-CD1 3.55Å; I103-I111 WeakPolarHBondContact O-CA 3.04Å; I103-H112 HydrophobicContact CD1-CB 4.43Å; I103-H112 HydrophobicContact CG1-CB 3.99Å; I103-H112 PolarHBondContact N-O 2.83Å; I103-H112 PolarHBondContact O-N 3.17Å; I103-T114 HydrophobicContact CB-CG2 4.3Å; I103-T114 HydrophobicContact CD1-CG2 3.72Å; I103-T114 HydrophobicContact CG1-CG2 3.73Å; I103-T114 HydrophobicContact CG2-CG2 3.67Å
104I94.8Very high92.8Very high37 Ų3748.5 Ų48.519%0.1929%0.289CS..EExtended strand (participates in β ladder)trans-121.7139.3176.6-171.5162000109.3L78 L93 E106 D110 I111L78-I104 HydrophobicContact CB-CD1 4.24Å; L78-I104 HydrophobicContact CD2-CD1 4.3Å; L93-I104 HydrophobicContact CB-CG2 4.16Å; L93-I104 HydrophobicContact CD1-CB 3.71Å; L93-I104 HydrophobicContact CD1-CD1 4.36Å; L93-I104 HydrophobicContact CD1-CG2 4.12Å; L93-I104 HydrophobicContact CD2-CD1 4.04Å; L93-I104 HydrophobicContact CG-CB 3.74Å; L93-I104 HydrophobicContact CG-CD1 3.82Å; L93-I104 HydrophobicContact CG-CG1 4.39Å; L93-I104 HydrophobicContact CG-CG2 3.74Å; I104-E106 PolarHBondContact O-N 2.78Å; I104-D110 CarbonylContact C-O 3.53Å; I104-D110 WeakPolarHBondContact CA-O 2.94Å; I104-I111 HydrophobicContact CB-CG1 4.45Å; I104-I111 HydrophobicContact CD1-CD1 4.42Å; I104-I111 HydrophobicContact CD1-CG1 3.92Å; I104-I111 HydrophobicContact CG1-CG1 4.1Å
105D93.9Very high92.7Very high76 Ų7652.5 Ų52.541%0.40630%0.295SS..  trans-74.9117.2162.5-173.5-25.4000108.6K107 T108 G109 D110D105-K107 PolarHBondContact O-N 2.92Å; D105-K107 PolarHBondContact OD1-N 3.42Å; D105-T108 WeakPolarHBondContact CB-OG1 3.35Å; D105-G109 VanDerWaalsContact O-CA 3.3Å; D105-G109 WeakPolarHBondContact O-CA 3.28Å; D105-G109 PolarHBondContact O-N 3.03Å; D105-D110 PolarHBondContact N-O 3.47Å
106E92.7Very high92.5Very high80 Ų8057.5 Ų57.537%0.37430%0.301SS..THydrogen-bonded Turntrans-57.4-29.9-178.4141.1171-158.900113.5K90 Y91 I104K90-E106 HydrophobicContact CB-CG 4.04Å; K90-E106 VanDerWaalsContact CD-CD 3.48Å; K90-E106 HydrophobicContact CD-CG 4.18Å; K90-E106 WeakPolarHBondContact CD-OE1 3.45Å; K90-E106 WeakPolarHBondContact CE-OE1 3.32Å; K90-E106 WeakPolarHBondContact CE-OE2 3.42Å; K90-E106 HydrophobicContact CG-CB 4.35Å; K90-E106 HydrophobicContact CG-CG 3.66Å; K90-E106 VanDerWaalsContact CG-OE1 3.28Å; K90-E106 WeakPolarHBondContact CG-OE1 3.3Å; K90-E106 IonicContact NZ-OE1 3.91Å; K90-E106 PolarHBondContact NZ-OE1 3.14Å; K90-E106 IonicContact NZ-OE2 3.53Å; K90-E106 PolarHBondContact NZ-OE2 3.23Å; Y91-E106 WeakPolarHBondContact CD2-O 3.44Å; Y91-E106 PolarHBondContact N-O 3.18Å; Y91-E106 WeakPolarHBondContact O-CA 3.33Å; I104-E106 PolarHBondContact O-N 2.78Å
107K89.8Confident92.4Very high158 Ų15853.8 Ų53.869%0.68728%0.281SS*.THydrogen-bonded Turntrans-92.9-40.3-174.7-63.3-177.8-178.8179.90112.5D105D105-K107 PolarHBondContact O-N 2.92Å; D105-K107 PolarHBondContact OD1-N 3.42Å
108T90.8Very high92.4Very high45 Ų4555.5 Ų55.528%0.27629%0.286SS..THydrogen-bonded Turntrans-92.5-26.2-176.8700000112.4K77 D105 D110K77-T108 WeakPolarHBondContact CE-O 3.47Å; D105-T108 WeakPolarHBondContact CB-OG1 3.35Å; T108-D110 VanDerWaalsContact C-N 3.3Å; T108-D110 VanDerWaalsContact CB-OD2 3.25Å; T108-D110 WeakPolarHBondContact CB-OD2 3.44Å; T108-D110 WeakPolarHBondContact OG1-CB 3.23Å; T108-D110 PolarHBondContact OG1-N 2.91Å; T108-D110 PolarHBondContact OG1-OD2 2.61Å
109G91.7Very high92.3Very high0 Ų060.9 Ų60.90%030%0.301CS..  trans809.2-17200000113.7K77 L78 D105K77-G109 CarbonylContact C-O 3.5Å; K77-G109 WeakPolarHBondContact CA-O 3.37Å; L78-G109 PolarHBondContact N-O 3.1Å; D105-G109 VanDerWaalsContact O-CA 3.3Å; D105-G109 WeakPolarHBondContact O-CA 3.28Å; D105-G109 PolarHBondContact O-N 3.03Å
110D94.3Very high92.3Very high40 Ų4064.7 Ų64.721%0.21430%0.302CS..EExtended strand (participates in β ladder)trans-72.7129.1179.3-62.9-42.8000111Y74 K77 I104 D105 T108Y74-D110 HydrophobicContact CE2-CB 4.24Å; K77-D110 VanDerWaalsContact CD-OD1 3.25Å; K77-D110 WeakPolarHBondContact CD-OD1 3.25Å; K77-D110 VanDerWaalsContact CG-OD1 3.29Å; K77-D110 WeakPolarHBondContact CG-OD1 3.45Å; I104-D110 CarbonylContact C-O 3.53Å; I104-D110 WeakPolarHBondContact CA-O 2.94Å; D105-D110 PolarHBondContact N-O 3.47Å; T108-D110 VanDerWaalsContact C-N 3.3Å; T108-D110 VanDerWaalsContact CB-OD2 3.25Å; T108-D110 WeakPolarHBondContact CB-OD2 3.44Å; T108-D110 WeakPolarHBondContact OG1-CB 3.23Å; T108-D110 PolarHBondContact OG1-N 2.91Å; T108-D110 PolarHBondContact OG1-OD2 2.61Å
111I94.8Very high92.2Very high7 Ų767.2 Ų67.24%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-107.4131.4-175.1-53.6174.4000109.3F61 V75 G76 L93 I103 I104F61-I111 HydrophobicContact CE2-CD1 4.05Å; F61-I111 HydrophobicContact CZ-CD1 4.44Å; V75-I111 HydrophobicContact CB-CB 4.12Å; V75-I111 HydrophobicContact CB-CG2 3.88Å; V75-I111 WeakPolarHBondContact CB-O 2.8Å; V75-I111 HydrophobicContact CG1-CG2 4.16Å; V75-I111 HydrophobicContact CG2-CG2 4.26Å; V75-I111 PolarHBondContact N-O 3.2Å; G76-I111 PolarHBondContact O-N 3.07Å; L93-I111 HydrophobicContact CD1-CD1 4.23Å; L93-I111 HydrophobicContact CD1-CG1 4.14Å; L93-I111 HydrophobicContact CD1-CG2 3.84Å; L93-I111 HydrophobicContact CD2-CD1 4.06Å; I103-I111 WeakPolarHBondContact O-CA 3.04Å; I104-I111 HydrophobicContact CB-CG1 4.45Å; I104-I111 HydrophobicContact CD1-CD1 4.42Å; I104-I111 HydrophobicContact CD1-CG1 3.92Å; I104-I111 HydrophobicContact CG1-CG1 4.1Å
112H95Very high91.8Very high58 Ų5868.6 Ų68.627%0.26932%0.322SS..EExtended strand (participates in β ladder)trans-129.4146.7176.5-61.677.5000111.3Q73 Y74 F102 I103Q73-H112 CarbonylContact O-C 3.35Å; Q73-H112 VanDerWaalsContact O-CA 3.27Å; Q73-H112 WeakPolarHBondContact O-CA 3.25Å; Y74-H112 AromaticContact CD2-CE1 3.94Å; Y74-H112 AromaticContact CD2-NE2 3.68Å; F102-H112 WeakPolarHBondContact CA-O 3.29Å; I103-H112 HydrophobicContact CD1-CB 4.43Å; I103-H112 HydrophobicContact CG1-CB 3.99Å; I103-H112 PolarHBondContact N-O 2.83Å; I103-H112 PolarHBondContact O-N 3.17Å
113A94.1Very high91.5Very high2 Ų275.8 Ų75.82%0.01736%0.356CS..EExtended strand (participates in β ladder)trans-95.1127169.100000110.2L63 Y72 Q73 V75 L101 F102L63-A113 HydrophobicContact CD2-CB 3.78Å; Y72-A113 CarbonylContact C-O 3.59Å; Y72-A113 WeakPolarHBondContact CA-O 3.4Å; Y72-A113 WeakPolarHBondContact CB-O 3.4Å; Q73-A113 HydrophobicContact CB-CB 4.32Å; Q73-A113 PolarHBondContact N-O 3.06Å; Q73-A113 PolarHBondContact O-N 3.03Å; V75-A113 HydrophobicContact CG2-CB 3.99Å; L101-A113 CarbonylContact O-C 3.58Å; L101-A113 VanDerWaalsContact O-CA 3.26Å; L101-A113 WeakPolarHBondContact O-CA 3.15Å; F102-A113 HydrophobicContact CD1-CB 4.14Å; F102-A113 HydrophobicContact CE1-CB 4.1Å
114T91.9Very high91.2Very high36 Ų3676.8 Ų76.822%0.22137%0.372CS..  trans-87.7-18.9-175.661.70000113.3Y72 T100 L101 I103Y72-T114 HydrophobicContact CD1-CG2 4.2Å; Y72-T114 HydrophobicContact CE1-CG2 3.96Å; Y72-T114 HydrophobicContact CE2-CG2 4.33Å; Y72-T114 HydrophobicContact CG-CG2 4.47Å; T100-T114 PolarHBondContact O-OG1 2.89Å; L101-T114 PolarHBondContact O-N 3.33Å; L101-T114 PolarHBondContact O-OG1 3Å; I103-T114 HydrophobicContact CB-CG2 4.3Å; I103-T114 HydrophobicContact CD1-CG2 3.72Å; I103-T114 HydrophobicContact CG1-CG2 3.73Å; I103-T114 HydrophobicContact CG2-CG2 3.67Å
115R89.6Confident91Very high142 Ų14277.8 Ų77.854%0.53638%0.375SS..SBendtrans-133.6155.2-175.9-70.1-172-77.1160.4-4.5110.3L101L101-R115 HydrophobicContact CD2-CB 3.92Å
116R87.5Confident90.9Very high149 Ų14980.2 Ų80.256%0.56239%0.389SS*.  trans-65.6139.5174.7-53.7179.672.4-152.8-1.6109E66 Y67E66-R116 PolarHBondContact O-NE 3.43Å; E66-R116 PolarHBondContact O-NH2 3.15Å; Y67-R116 WeakPolarHBondContact O-CD 3.19Å; Y67-R116 VanDerWaalsContact O-CG 3.26Å; Y67-R116 WeakPolarHBondContact O-CG 3.32Å; Y67-R116 PolarHBondContact O-NE 2.9Å
117I90.5Very high90.7Very high21 Ų2179 Ų7911%0.10838%0.384CS..  trans-114.2136.8179.5-59.9178.4000108.1L63 E66 L101 F102 F125L63-I117 HydrophobicContact CD2-CD1 3.57Å; E66-I117 PolarHBondContact N-O 3.38Å; L101-I117 HydrophobicContact CD2-CG1 4.11Å; F102-I117 HydrophobicContact CE1-CD1 3.87Å; F102-I117 HydrophobicContact CZ-CD1 3.63Å; I117-F125 HydrophobicContact CD1-CE2 3.92Å; I117-F125 HydrophobicContact CD1-CZ 4.41Å; I117-F125 HydrophobicContact CG2-CE2 3.81Å; I117-F125 HydrophobicContact CG2-CZ 4.22Å
118D88.9Confident90.5Very high54 Ų5473 Ų7329%0.28937%0.368SS..  trans-112.4129173.1-169.5-0.7000108.7E120 D121 T122D118-E120 VanDerWaalsContact C-N 3.29Å; D118-E120 PolarHBondContact O-N 3.45Å; D118-E120 PolarHBondContact OD1-N 3.46Å; D118-D121 HydrophobicContact CB-CB 4.35Å; D118-D121 PolarHBondContact O-N 3.45Å; D118-T122 PolarHBondContact O-N 2.86Å; D118-T122 VanDerWaalsContact O-N 3.15Å
119R91.1Very high90.2Very high137 Ų13774.5 Ų74.552%0.51738%0.377SS..THydrogen-bonded Turntrans-71.4-31.4-174.7176-174.3162.3-144.9-8.1110.9D121 T122 Q123R119-D121 VanDerWaalsContact C-N 3.27Å; R119-D121 PolarHBondContact O-N 2.98Å; R119-T122 CarbonylContact O-C 3.52Å; R119-T122 PolarHBondContact O-N 3Å; R119-Q123 HydrophobicContact CG-CG 4.43Å; R119-Q123 PolarHBondContact O-N 3.4Å
120E91.3Very high89.5Confident144 Ų14479.3 Ų79.367%0.67340%0.402SS*.THydrogen-bonded Turntrans-63.9-34.5178.2-79.264.2-161.100111.2D118D118-E120 VanDerWaalsContact C-N 3.29Å; D118-E120 PolarHBondContact O-N 3.45Å; D118-E120 PolarHBondContact OD1-N 3.46Å
121D89.7Confident88.6Confident134 Ų13481.2 Ų81.272%0.71741%0.406SS*.THydrogen-bonded Turntrans-77.5-46.1174.2-78.3-15000111.7D118 R119D118-D121 HydrophobicContact CB-CB 4.35Å; D118-D121 PolarHBondContact O-N 3.45Å; R119-D121 VanDerWaalsContact C-N 3.27Å; R119-D121 PolarHBondContact O-N 2.98Å
122T86.3Confident87.2Confident58 Ų5883.6 Ų83.636%0.35642%0.419SS..  trans-150.1110.5-178.8-570000111.2D118 R119 A124 F125D118-T122 PolarHBondContact O-N 2.86Å; D118-T122 VanDerWaalsContact O-N 3.15Å; R119-T122 CarbonylContact O-C 3.52Å; R119-T122 PolarHBondContact O-N 3Å; T122-A124 VanDerWaalsContact CG2-O 3.22Å; T122-A124 WeakPolarHBondContact CG2-O 3.3Å; T122-A124 PolarHBondContact O-N 2.99Å; T122-F125 HydrophobicContact CG2-CD1 4.14Å; T122-F125 HydrophobicContact CG2-CD2 4.31Å; T122-F125 HydrophobicContact CG2-CE1 3.77Å; T122-F125 HydrophobicContact CG2-CE2 3.93Å; T122-F125 HydrophobicContact CG2-CG 4.4Å; T122-F125 HydrophobicContact CG2-CZ 3.66Å
123Q87.6Confident85.4Confident156 Ų15685.3 Ų85.373%0.72944%0.435SS*.SBendtrans-71.7-29.9-177.3-173175.415.600113.5R119R119-Q123 HydrophobicContact CG-CG 4.43Å; R119-Q123 PolarHBondContact O-N 3.4Å
124A90.1Very high83.5Confident78 Ų7888.6 Ų88.665%0.64546%0.462SS*.  trans-155.3151.5-178.300000111.1T122T122-A124 VanDerWaalsContact CG2-O 3.22Å; T122-A124 WeakPolarHBondContact CG2-O 3.3Å; T122-A124 PolarHBondContact O-N 2.99Å
125F90.5Very high81.7Confident58 Ų5887.7 Ų87.725%0.25446%0.458SS..  trans-114.1130.2175.7-64.7-90.7000109.4D96 L101 F102 I117 T122 I127D96-F125 HydrophobicContact CB-CB 4.49Å; D96-F125 HydrophobicContact CB-CD1 4.22Å; L101-F125 HydrophobicContact CD1-CE1 4.44Å; F102-F125 HydrophobicContact CE2-CB 3.95Å; F102-F125 AromaticContact CE2-CD1 3.79Å; F102-F125 HydrophobicContact CE2-CD1 3.79Å; F102-F125 AromaticContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CD2 3.85Å; F102-F125 HydrophobicContact CE2-CE1 4.25Å; F102-F125 HydrophobicContact CE2-CE2 4.32Å; F102-F125 AromaticContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CG 3.57Å; F102-F125 HydrophobicContact CE2-CZ 4.49Å; F102-F125 HydrophobicContact CZ-CB 4.4Å; F102-F125 HydrophobicContact CZ-CD1 4.43Å; F102-F125 AromaticContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CD2 3.67Å; F102-F125 HydrophobicContact CZ-CE2 4.03Å; F102-F125 AromaticContact CZ-CG 3.91Å; F102-F125 HydrophobicContact CZ-CG 3.91Å; I117-F125 HydrophobicContact CD1-CE2 3.92Å; I117-F125 HydrophobicContact CD1-CZ 4.41Å; I117-F125 HydrophobicContact CG2-CE2 3.81Å; I117-F125 HydrophobicContact CG2-CZ 4.22Å; T122-F125 HydrophobicContact CG2-CD1 4.14Å; T122-F125 HydrophobicContact CG2-CD2 4.31Å; T122-F125 HydrophobicContact CG2-CE1 3.77Å; T122-F125 HydrophobicContact CG2-CE2 3.93Å; T122-F125 HydrophobicContact CG2-CG 4.4Å; T122-F125 HydrophobicContact CG2-CZ 3.66Å; F125-I127 HydrophobicContact CB-CD1 4.14Å; F125-I127 HydrophobicContact CB-CG1 4.03Å; F125-I127 PolarHBondContact O-N 3.17Å
126D90.7Very high80Confident128 Ų12884.5 Ų84.568%0.68445%0.451SS*.  trans-87.2105.3173.2-168.59.3000109.7D96D96-D126 PolarHBondContact N-O 2.84Å
127I89.3Confident78.3Confident54 Ų5485.5 Ų85.528%0.27746%0.462SS..EExtended strand (participates in β ladder)trans-117117.7-174.4-56.5-179.7000108.9L93 S94 F102 F125L93-I127 HydrophobicContact CB-CG2 4.39Å; L93-I127 HydrophobicContact CD2-CG2 3.83Å; S94-I127 CarbonylContact O-C 3.59Å; S94-I127 WeakPolarHBondContact O-CA 3.27Å; S94-I127 WeakPolarHBondContact O-CG2 3.39Å; F102-I127 HydrophobicContact CB-CD1 4.45Å; F102-I127 HydrophobicContact CD1-CD1 4.48Å; F102-I127 HydrophobicContact CD2-CD1 3.49Å; F102-I127 VanDerWaalsContact CD2-CD1 3.49Å; F102-I127 HydrophobicContact CE2-CD1 3.76Å; F102-I127 HydrophobicContact CG-CD1 3.89Å; F102-I127 HydrophobicContact CZ-CD1 4.36Å; F125-I127 HydrophobicContact CB-CD1 4.14Å; F125-I127 HydrophobicContact CB-CG1 4.03Å; F125-I127 PolarHBondContact O-N 3.17Å
128G84.6Confident76.5Confident33 Ų3390.8 Ų90.834%0.3449%0.486SS..EExtended strand (participates in β ladder)trans-83146.7168.900000111.6S94S94-G128 PolarHBondContact N-O 3.2Å; S94-G128 PolarHBondContact O-N 3.09Å; S94-G128 VanDerWaalsContact O-O 3.07Å
129T84.5Confident74.7Confident76 Ų7695.3 Ų95.347%0.46650%0.503SS..EExtended strand (participates in β ladder)trans-112.8134.6172.660.40000109.5L78 L93L78-T129 HydrophobicContact CD1-CG2 4.05Å; L78-T129 HydrophobicContact CD2-CG2 3.68Å; L78-T129 HydrophobicContact CG-CG2 4.48Å; L93-T129 HydrophobicContact CD2-CG2 3.95Å
130L77.6Confident72.8Confident101 Ų10196.5 Ų96.553%0.52951%0.512SS..EExtended strand (participates in β ladder)trans-122.5143175.7-63.5176.3000109.4I92I92-L130 HydrophobicContact CB-CB 4.26Å; I92-L130 PolarHBondContact N-O 3.08Å; I92-L130 PolarHBondContact O-N 2.77Å
131R75.1Confident71.1Confident80 Ų8094.6 Ų94.630%0.30251%0.506SS..EExtended strand (participates in β ladder)trans-119.3153.6169.670.8-176.4-172.9-150.88.4109.8S80S80-R131 PolarHBondContact OG-NH1 3.38Å
132N66.3Low69.3Low56 Ų5696.6 Ų96.630%0.29950%0.504SS..  trans-51.2127.1179.5-176.21000112.2K90 A134 A135K90-N132 HydrophobicContact CB-CB 4.45Å; N132-A134 PolarHBondContact O-N 3.05Å; N132-A134 PolarHBondContact OD1-N 3.09Å; N132-A135 PolarHBondContact O-N 2.84Å; N132-A135 VanDerWaalsContact O-N 3.14Å
133P57.1Low68.3Low94 Ų94101.5 Ų101.561%0.6152%0.516SS*.G310 helixtrans-61.9-21.3176.124.3-34.4000115A135 I136P133-A135 PolarHBondContact O-N 3.28Å; P133-I136 HydrophobicContact CB-CD1 4Å; P133-I136 VanDerWaalsContact O-CB 3.3Å; P133-I136 WeakPolarHBondContact O-CB 3.18Å; P133-I136 PolarHBondContact O-N 3.3Å
134A54.7Low67.4Low71 Ų7198.9 Ų98.959%0.58751%0.507SS*.G310 helixtrans-61.1-24.517400000113N132N132-A134 PolarHBondContact O-N 3.05Å; N132-A134 PolarHBondContact OD1-N 3.09Å
135A53Low66.3Low17 Ų1798.7 Ų98.714%0.1449%0.494CS..G310 helixtrans-92-7.2172.800000113.9Q82 L89 N132 P133 E137Q82-A135 PolarHBondContact NE2-O 3.43Å; Q82-A135 PolarHBondContact OE1-O 3.44Å; L89-A135 HydrophobicContact CD2-CB 3.14Å; N132-A135 PolarHBondContact O-N 2.84Å; N132-A135 VanDerWaalsContact O-N 3.14Å; P133-A135 PolarHBondContact O-N 3.28Å; A135-E137 PolarHBondContact O-N 2.65Å
136I53.9Low65.2Low75 Ų7599.1 Ų99.139%0.38550%0.498SS..G310 helixtrans-72.6-11.7177.6-65.3177.1000111.6P133 E138 K139P133-I136 HydrophobicContact CB-CD1 4Å; P133-I136 VanDerWaalsContact O-CB 3.3Å; P133-I136 WeakPolarHBondContact O-CB 3.18Å; P133-I136 PolarHBondContact O-N 3.3Å; I136-E138 PolarHBondContact O-N 2.99Å; I136-K139 HydrophobicContact CG2-CB 4.28Å; I136-K139 WeakPolarHBondContact O-CB 3.22Å; I136-K139 PolarHBondContact O-N 3.21Å
137E52.6Low63.9Low171 Ų17195.7 Ų95.780%0.79948%0.483SS*.G310 helixtrans-56-24.4179.9-66.4-156.4164.500113.8A135A135-E137 PolarHBondContact O-N 2.65Å
138E52.2Low62.5Low132 Ų132101.6 Ų101.662%0.61751%0.509SS*.G310 helixtrans-83.6-8.4176.1-67.1-170.9161.500114.9Q82 I136 K140 L141Q82-E138 PolarHBondContact NE2-OE2 3.08Å; I136-E138 PolarHBondContact O-N 2.99Å; E138-K140 PolarHBondContact O-N 3.33Å; E138-L141 PolarHBondContact O-N 3.29Å
139K50.3Low61.3Low148 Ų148105.6 Ų105.664%0.64353%0.528SS*.G310 helixtrans-71.83.9179.9-146.6-178.8-178.4-178.10113.8I136 L141I136-K139 HydrophobicContact CG2-CB 4.28Å; I136-K139 WeakPolarHBondContact O-CB 3.22Å; I136-K139 PolarHBondContact O-N 3.21Å; K139-L141 PolarHBondContact O-N 3.27Å
140K52.3Low59.9Low163 Ų163104.9 Ų104.971%0.70952%0.521SS*.G310 helixtrans-703.1165.1-82.3-172.4179.3178.60114.3E138 R142 R143E138-K140 PolarHBondContact O-N 3.33Å; K140-R142 VanDerWaalsContact C-N 3.29Å; K140-R143 VanDerWaalsContact O-CG 3.25Å; K140-R143 WeakPolarHBondContact O-CG 3.48Å
141L54.3Low58.8Low104 Ų104106.9 Ų106.955%0.54553%0.525SS..G310 helixtrans-68.5-29.7174-140.387000112.6E138 K139 R143 T190E138-L141 PolarHBondContact O-N 3.29Å; K139-L141 PolarHBondContact O-N 3.27Å; L141-R143 PolarHBondContact O-N 2.98Å; L141-T190 WeakPolarHBondContact CD2-O 3.49Å
142R53.4Low58.1Low175 Ų175109.3 Ų109.366%0.6654%0.543SS*.EExtended strand (participates in β ladder)trans-86.797.1165.4-79.2-168.7175.9-178.8-0.8108.4K140K140-R142 VanDerWaalsContact C-N 3.29Å
143R64.1Low57.5Low162 Ų162112.1 Ų112.161%0.61156%0.564SS**EExtended strand (participates in β ladder)trans-91.8106.1169.9-59.4-173.6179.4121.1-0.5106.5K140 L141 I145 S187 L188K140-R143 VanDerWaalsContact O-CG 3.25Å; K140-R143 WeakPolarHBondContact O-CG 3.48Å; L141-R143 PolarHBondContact O-N 2.98Å; R143-I145 PolarHBondContact O-N 3.44Å; R143-I145 VanDerWaalsContact O-N 3.1Å; R143-S187 WeakPolarHBondContact O-CA 3.29Å; R143-L188 PolarHBondContact O-N 3.12Å; R143-L188 VanDerWaalsContact O-N 3.09Å
144D68.1Low57.4Low100 Ų100115.4 Ų115.454%0.53556%0.564SS.*EExtended strand (participates in β ladder)trans-55.2113.1167.3-69.7-0.5000107.1I146 Y185D144-I146 PolarHBondContact O-N 3.15Å; D144-Y185 HydrophobicContact CB-CD2 4.25Å
145I67.9Low57.6Low75 Ų75123 Ų12339%0.38558%0.578SS.*EExtended strand (participates in β ladder)trans-81.4109175-51167.9000106R143 P147 D186 L188R143-I145 PolarHBondContact O-N 3.44Å; R143-I145 VanDerWaalsContact O-N 3.1Å; I145-P147 WeakPolarHBondContact O-CD 3.33Å; I145-D186 PolarHBondContact N-O 3.25Å; I145-L188 HydrophobicContact CD1-CD1 3.68Å; I145-L188 HydrophobicContact CD1-CD2 3.38Å; I145-L188 HydrophobicContact CD1-CG 3.23Å; I145-L188 HydrophobicContact CG1-CD1 3.95Å; I145-L188 HydrophobicContact CG1-CD2 4.31Å; I145-L188 HydrophobicContact CG1-CG 3.62Å
146I67.6Low57.8Low66 Ų66128.3 Ų128.334%0.33861%0.608SS.*  trans-80.9118.1161.7-53.8173.1000105.6D144 E148 F151 Y185D144-I146 PolarHBondContact O-N 3.15Å; I146-E148 PolarHBondContact O-N 3.18Å; I146-F151 HydrophobicContact CB-CE2 4.24Å; I146-F151 HydrophobicContact CB-CZ 4.15Å; I146-F151 HydrophobicContact CD1-CZ 4.15Å; I146-F151 HydrophobicContact CG2-CE1 4.47Å; I146-F151 HydrophobicContact CG2-CE2 3.64Å; I146-F151 HydrophobicContact CG2-CZ 3.55Å; I146-Y185 HydrophobicContact CD1-CE2 4.16Å; I146-Y185 HydrophobicContact CG1-CD1 4.38Å; I146-Y185 HydrophobicContact CG1-CD2 3.97Å; I146-Y185 HydrophobicContact CG1-CE1 4.31Å; I146-Y185 HydrophobicContact CG1-CE2 3.86Å; I146-Y185 HydrophobicContact CG1-CG 4.24Å; I146-Y185 HydrophobicContact CG2-CE1 4.39Å
147P62.3Low58Low56 Ų56128.5 Ų128.536%0.36462%0.615SS.*  trans-55.6118.5174.6-19.329.2000109.1I145 T149 L150I145-P147 WeakPolarHBondContact O-CD 3.33Å; P147-T149 PolarHBondContact O-N 3.04Å; P147-L150 HydrophobicContact CB-CD1 3.93Å; P147-L150 HydrophobicContact CB-CG 4.18Å; P147-L150 HydrophobicContact CG-CD1 3.75Å; P147-L150 PolarHBondContact O-N 3.19Å; P147-L150 VanDerWaalsContact O-N 3.08Å
148E60.5Low58.6Low178 Ų178126.8 Ų126.883%0.83262%0.616SS**G310 helixtrans-57-21.1-177.9-69.7-179.8167.800112.6I146 L150I146-E148 PolarHBondContact O-N 3.18Å; E148-L150 PolarHBondContact O-N 3.31Å
149T58.6Low59Low118 Ų118123.8 Ų123.872%0.72461%0.614SS**G310 helixtrans-72.2-5.2178.955.60000114.8P147P147-T149 PolarHBondContact O-N 3.04Å
150L55.2Low59.8Low61 Ų61121 Ų12132%0.31961%0.611SS.*G310 helixtrans-101.3-6.9-175.9-65.1174.2000114.6P147 E148 I152 T181P147-L150 HydrophobicContact CB-CD1 3.93Å; P147-L150 HydrophobicContact CB-CG 4.18Å; P147-L150 HydrophobicContact CG-CD1 3.75Å; P147-L150 PolarHBondContact O-N 3.19Å; P147-L150 VanDerWaalsContact O-N 3.08Å; E148-L150 PolarHBondContact O-N 3.31Å; L150-I152 PolarHBondContact O-N 3.49Å; L150-T181 HydrophobicContact CB-CG2 3.8Å; L150-T181 HydrophobicContact CD1-CG2 4.01Å; L150-T181 HydrophobicContact CD2-CG2 4.04Å; L150-T181 HydrophobicContact CG-CG2 4.14Å
151F55.7Low60.4Low142 Ų142120.4 Ų120.462%0.62362%0.616SS**  trans-78.943.3177.3-66-78.3000113.2I146 P153I146-F151 HydrophobicContact CB-CE2 4.24Å; I146-F151 HydrophobicContact CB-CZ 4.15Å; I146-F151 HydrophobicContact CD1-CZ 4.15Å; I146-F151 HydrophobicContact CG2-CE1 4.47Å; I146-F151 HydrophobicContact CG2-CE2 3.64Å; I146-F151 HydrophobicContact CG2-CZ 3.55Å; F151-P153 WeakPolarHBondContact O-CD 3.38Å
152I59.8Low60.9Low132 Ų132122.9 Ų122.968%0.67763%0.629SS**  trans-76.1123.5167.6-56.6175.2000106.4L150 R154L150-I152 PolarHBondContact O-N 3.49Å; I152-R154 PolarHBondContact O-N 3.48Å
153P53.1Low61.7Low114 Ų114117.5 Ų117.574%0.7462%0.616SS**  trans-60.8103.1171.2-14.226.7000108.1F151 R155F151-P153 WeakPolarHBondContact O-CD 3.38Å; P153-R155 VanDerWaalsContact C-N 3.33Å; P153-R155 PolarHBondContact O-N 2.85Å
154R56.7Low62.6Low163 Ų163114.5 Ų114.562%0.61561%0.612SS**  trans-65.598.6170-106.2178.6166.5161.6-8.4106.5I152 T156 D179I152-R154 PolarHBondContact O-N 3.48Å; R154-T156 PolarHBondContact O-N 3.41Å; R154-D179 IonicContact NH1-OD1 3.69Å; R154-D179 IonicContact NH1-OD2 3.1Å; R154-D179 PolarHBondContact NH1-OD2 3.08Å; R154-D179 VanDerWaalsContact NH1-OD2 3.1Å
155R58.7Low63.5Low232 Ų232114.4 Ų114.488%0.87562%0.615SS**  trans-60119.8168-70-176.7176173.2-1106.6P153 P157P153-R155 VanDerWaalsContact C-N 3.33Å; P153-R155 PolarHBondContact O-N 2.85Å; R155-P157 WeakPolarHBondContact O-CD 3.46Å; R155-P157 VanDerWaalsContact O-N 3.16Å
156T56.6Low64.3Low127 Ų127119.5 Ų119.578%0.77963%0.629SS**  trans-59.9114.7167.1460000107.7R154 T158R154-T156 PolarHBondContact O-N 3.41Å; T156-T158 PolarHBondContact O-N 3.27Å
157P59Low65.2Low80 Ų80120.9 Ų120.952%0.51964%0.637SS.*PPolyproline II helixtrans-58.9128.3168-13.525.6000108.2R155 A159 R172R155-P157 WeakPolarHBondContact O-CD 3.46Å; R155-P157 VanDerWaalsContact O-N 3.16Å; P157-A159 PolarHBondContact O-N 2.93Å; P157-R172 VanDerWaalsContact CD-NH2 3.31Å
158T63.9Low66.4Low135 Ų135121.5 Ų121.583%0.82863%0.634SS**PPolyproline II helixtrans-55.3127.5169.141.10000108.8T156T156-T158 PolarHBondContact O-N 3.27Å
159A61.9Low67.7Low69 Ų69117.7 Ų117.757%0.5762%0.618SS**PPolyproline II helixtrans-54.7127.4178.100000109.5P157 D161 F168P157-A159 PolarHBondContact O-N 2.93Å; A159-D161 PolarHBondContact O-N 3.08Å; A159-F168 HydrophobicContact CB-CE2 4.42Å
160P65.7Low69.1Low89 Ų89116.2 Ų116.258%0.57861%0.606SS**PPolyproline II helixtrans-65.4124.2170.95.81.8000108.7N162 T163P160-N162 PolarHBondContact O-N 2.99Å; P160-T163 PolarHBondContact O-N 3.18Å; P160-T163 PolarHBondContact O-OG1 3.13Å
161D64.4Low70.7Confident151 Ų151119 Ų11981%0.80762%0.618SS**THydrogen-bonded Turntrans-59.7120.3175.4-162.519.4000108.6A159A159-D161 PolarHBondContact O-N 3.08Å
162N65.1Low72.1Confident156 Ų156115.3 Ų115.383%0.83460%0.6SS**THydrogen-bonded Turntrans9327.4-174.5-50-68.6000119.5P160P160-N162 PolarHBondContact O-N 2.99Å
163T70.1Confident73.5Confident62 Ų62113.4 Ų113.438%0.3859%0.59SS.*  trans-90.5138.3171.7-41.30000111.7P160 V165P160-T163 PolarHBondContact O-N 3.18Å; P160-T163 PolarHBondContact O-OG1 3.13Å; T163-V165 PolarHBondContact O-N 3.19Å
164D84.5Confident75.2Confident98 Ų98114.9 Ų114.952%0.52459%0.585SS.*  trans-58120.6172.1-176.1-4.4000109.5R166 D167 F168D164-R166 PolarHBondContact O-N 2.91Å; D164-R166 PolarHBondContact OD1-N 3.3Å; D164-R166 VanDerWaalsContact OD1-N 3.09Å; D164-D167 HydrophobicContact CB-CB 4.44Å; D164-D167 PolarHBondContact O-N 2.83Å; D164-D167 VanDerWaalsContact O-N 3.08Å; D164-F168 PolarHBondContact O-N 3.38Å
165V85.7Confident76.7Confident98 Ų98110.7 Ų110.759%0.59457%0.573SS**Hα-helixtrans-56.9-34.3-176.4179.50000111T163 I169T163-V165 PolarHBondContact O-N 3.19Å; V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.3Å; V165-I169 WeakPolarHBondContact O-CB 3.45Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.1Å
166R85.3Confident78Confident183 Ų183105 Ų10569%0.69156%0.556SS**Hα-helixtrans-64.2-46.3178.4172.9172.2-90.8171.6-6.5111.3D164 I169 N170D164-R166 PolarHBondContact O-N 2.91Å; D164-R166 PolarHBondContact OD1-N 3.3Å; D164-R166 VanDerWaalsContact OD1-N 3.09Å; R166-I169 PolarHBondContact O-N 2.84Å; R166-N170 WeakPolarHBondContact O-CB 3.25Å; R166-N170 VanDerWaalsContact O-CG 3.22Å; R166-N170 PolarHBondContact O-N 2.62Å; R166-N170 PolarHBondContact O-ND2 3.46Å; R166-N170 VanDerWaalsContact O-ND2 3.09Å
167D86.9Confident79.5Confident95 Ų95104.7 Ų104.751%0.50855%0.549SS..Hα-helixtrans-69.9-39.1-179.6-69.7-16.6000111D164 I169 N170 E171D164-D167 HydrophobicContact CB-CB 4.44Å; D164-D167 PolarHBondContact O-N 2.83Å; D164-D167 VanDerWaalsContact O-N 3.08Å; D167-I169 PolarHBondContact O-N 3.31Å; D167-N170 PolarHBondContact O-N 3.21Å; D167-E171 VanDerWaalsContact O-CB 3.29Å; D167-E171 WeakPolarHBondContact O-CB 3.29Å; D167-E171 PolarHBondContact O-N 2.77Å
168F86.8Confident80.7Confident69 Ų69107.2 Ų107.230%0.30356%0.557SS.*Hα-helixtrans-59-45.1174.1177.4-98.6000112.7A159 D164 R172A159-F168 HydrophobicContact CB-CE2 4.42Å; D164-F168 PolarHBondContact O-N 3.38Å; F168-R172 HydrophobicContact CE1-CG 4.18Å; F168-R172 HydrophobicContact CE2-CG 4.26Å; F168-R172 HydrophobicContact CZ-CG 4.03Å; F168-R172 WeakPolarHBondContact O-CB 3.36Å; F168-R172 WeakPolarHBondContact O-CG 3.22Å; F168-R172 PolarHBondContact O-N 3.09Å
169I87.5Confident81.6Confident97 Ų97102.2 Ų102.250%0.49753%0.526SS..Hα-helixtrans-66.1-44.2177.9-68.7168.1000110.5V165 R166 D167 R172 L173V165-I169 HydrophobicContact CG1-CD1 3.71Å; V165-I169 HydrophobicContact CG1-CG1 4.3Å; V165-I169 WeakPolarHBondContact O-CB 3.45Å; V165-I169 WeakPolarHBondContact O-CG1 3.42Å; V165-I169 PolarHBondContact O-N 3.1Å; R166-I169 PolarHBondContact O-N 2.84Å; D167-I169 PolarHBondContact O-N 3.31Å; I169-R172 PolarHBondContact O-N 2.75Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 PolarHBondContact O-N 3.1Å
170N89.3Confident82.6Confident88 Ų88103.8 Ų103.847%0.47153%0.53SS..Hα-helixtrans-65.3-39.2179.9-72.1-31000112.3R166 D167 K174R166-N170 WeakPolarHBondContact O-CB 3.25Å; R166-N170 VanDerWaalsContact O-CG 3.22Å; R166-N170 PolarHBondContact O-N 2.62Å; R166-N170 PolarHBondContact O-ND2 3.46Å; R166-N170 VanDerWaalsContact O-ND2 3.09Å; D167-N170 PolarHBondContact O-N 3.21Å; N170-K174 WeakPolarHBondContact O-CB 3.13Å; N170-K174 PolarHBondContact O-N 2.92Å; N170-K174 VanDerWaalsContact O-N 3.08Å
171E88.2Confident83.2Confident119 Ų119101.7 Ų101.756%0.55652%0.516SS*.Hα-helixtrans-64.3-48.7175.1-175.9173-15900110.8D167 L173 K174 E175D167-E171 VanDerWaalsContact O-CB 3.29Å; D167-E171 WeakPolarHBondContact O-CB 3.29Å; D167-E171 PolarHBondContact O-N 2.77Å; E171-L173 PolarHBondContact O-N 3.24Å; E171-K174 PolarHBondContact O-N 2.96Å; E171-E175 WeakPolarHBondContact O-CG 3.47Å; E171-E175 PolarHBondContact O-N 3.12Å
172R85.4Confident83.9Confident64 Ų6497 Ų9724%0.24250%0.498CS..Hα-helixtrans-61-42.8176.3-77.6-69.5180-149.9-7.8113.1P157 F168 I169 K174 E175 H176P157-R172 VanDerWaalsContact CD-NH2 3.31Å; F168-R172 HydrophobicContact CE1-CG 4.18Å; F168-R172 HydrophobicContact CE2-CG 4.26Å; F168-R172 HydrophobicContact CZ-CG 4.03Å; F168-R172 WeakPolarHBondContact O-CB 3.36Å; F168-R172 WeakPolarHBondContact O-CG 3.22Å; F168-R172 PolarHBondContact O-N 3.09Å; I169-R172 PolarHBondContact O-N 2.75Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.23Å; R172-E175 IonicContact CZ-OE2 2.75Å; R172-E175 IonicContact NE-OE2 2.65Å; R172-E175 IonicContact NH1-OE2 2.67Å; R172-E175 PolarHBondContact NH1-OE2 3.26Å; R172-E175 PolarHBondContact O-N 2.86Å; R172-H176 PolarHBondContact O-CD2 3.43Å; R172-H176 PolarHBondContact O-N 2.91Å
173L89Confident84.6Confident92 Ų9294.1 Ų94.148%0.48249%0.488SS..Hα-helixtrans-58.9-48.4176.8179.661.5000110.4I169 E171 E175 H176 D177I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.42Å; I169-L173 PolarHBondContact O-N 3.1Å; E171-L173 PolarHBondContact O-N 3.24Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 2.96Å; L173-H176 PolarHBondContact O-N 2.6Å; L173-D177 WeakPolarHBondContact O-CB 3.37Å; L173-D177 VanDerWaalsContact O-CG 3.24Å; L173-D177 PolarHBondContact O-N 3.06Å
174K88.9Confident85Confident145 Ų14597.2 Ų97.263%0.6351%0.509SS*.Hα-helixtrans-63.7-37178.4-171.7-179.5178.7-175.20113.1N170 E171 R172 H176 L178N170-K174 WeakPolarHBondContact O-CB 3.13Å; N170-K174 PolarHBondContact O-N 2.92Å; N170-K174 VanDerWaalsContact O-N 3.08Å; E171-K174 PolarHBondContact O-N 2.96Å; R172-K174 VanDerWaalsContact C-N 3.34Å; R172-K174 PolarHBondContact O-N 3.23Å; K174-H176 VanDerWaalsContact C-N 3.33Å; K174-L178 HydrophobicContact CG-CD1 4.37Å; K174-L178 WeakPolarHBondContact O-CG 3.49Å; K174-L178 PolarHBondContact O-N 2.97Å
175E86.8Confident84.7Confident76 Ų7696 Ų9636%0.35550%0.497SS..Hα-helixtrans-63.5-38.4174.6-75.7-178163.100112.6E171 R172 L173E171-E175 WeakPolarHBondContact O-CG 3.47Å; E171-E175 PolarHBondContact O-N 3.12Å; R172-E175 IonicContact CZ-OE2 2.75Å; R172-E175 IonicContact NE-OE2 2.65Å; R172-E175 IonicContact NH1-OE2 2.67Å; R172-E175 PolarHBondContact NH1-OE2 3.26Å; R172-E175 PolarHBondContact O-N 2.86Å; L173-E175 VanDerWaalsContact C-N 3.34Å; L173-E175 PolarHBondContact O-N 2.96Å
176H86.6Confident84.5Confident112 Ų11297.9 Ų97.952%0.51950%0.504SS..Hα-helixtrans-81.2-34.4-179.4-81.1-70.8000113R172 L173 K174 L178 D179R172-H176 PolarHBondContact O-CD2 3.43Å; R172-H176 PolarHBondContact O-N 2.91Å; L173-H176 PolarHBondContact O-N 2.6Å; K174-H176 VanDerWaalsContact C-N 3.33Å; H176-L178 PolarHBondContact O-N 3.43Å; H176-D179 VanDerWaalsContact O-CB 3.22Å; H176-D179 WeakPolarHBondContact O-CB 3.28Å; H176-D179 PolarHBondContact O-N 3.29Å; H176-D179 VanDerWaalsContact O-N 3.15Å
177D88Confident84.1Confident121 Ų12191.4 Ų91.465%0.64749%0.487SS*.Hα-helixtrans-64.7-23.9176.8-74.3-16.5000112.7L173L173-D177 WeakPolarHBondContact O-CB 3.37Å; L173-D177 VanDerWaalsContact O-CG 3.24Å; L173-D177 PolarHBondContact O-N 3.06Å
178L84.3Confident83.7Confident132 Ų13291.4 Ų91.469%0.69149%0.487SS*.THydrogen-bonded Turntrans-98.813.5178.8-62.3175000112.9K174 H176 P180K174-L178 HydrophobicContact CG-CD1 4.37Å; K174-L178 WeakPolarHBondContact O-CG 3.49Å; K174-L178 PolarHBondContact O-N 2.97Å; H176-L178 PolarHBondContact O-N 3.43Å; L178-P180 WeakPolarHBondContact O-CD 3.27Å
179D84Confident83.1Confident31 Ų3190.2 Ų90.217%0.16649%0.489CS..  trans-72.6110.7-176.4-165.9-17.2000111.8R154 H176 T181 A182R154-D179 IonicContact NH1-OD1 3.69Å; R154-D179 IonicContact NH1-OD2 3.1Å; R154-D179 PolarHBondContact NH1-OD2 3.08Å; R154-D179 VanDerWaalsContact NH1-OD2 3.1Å; H176-D179 VanDerWaalsContact O-CB 3.22Å; H176-D179 WeakPolarHBondContact O-CB 3.28Å; H176-D179 PolarHBondContact O-N 3.29Å; H176-D179 VanDerWaalsContact O-N 3.15Å; D179-T181 PolarHBondContact O-N 2.94Å; D179-T181 WeakPolarHBondContact OD1-CA 3.5Å; D179-T181 VanDerWaalsContact OD1-CB 3.27Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.4Å; D179-T181 PolarHBondContact OD1-N 2.89Å; D179-T181 PolarHBondContact OD1-OG1 2.94Å; D179-T181 PolarHBondContact OD2-OG1 3.05Å; D179-A182 HydrophobicContact CB-CB 4.41Å; D179-A182 WeakPolarHBondContact O-CB 3.42Å; D179-A182 PolarHBondContact O-N 2.74Å
180P81.3Confident82.6Confident101 Ų10189.1 Ų89.166%0.65649%0.487SS*.THydrogen-bonded Turntrans-73.9-9.2178.533.9-36.9000112.8L178 A182L178-P180 WeakPolarHBondContact O-CD 3.27Å; P180-A182 VanDerWaalsContact C-N 3.31Å
181T79.4Confident82.1Confident46 Ų4694.7 Ų94.728%0.28250%0.503SS..THydrogen-bonded Turntrans-84.4-10.4175.374.70000112.4L150 D179 Y185L150-T181 HydrophobicContact CB-CG2 3.8Å; L150-T181 HydrophobicContact CD1-CG2 4.01Å; L150-T181 HydrophobicContact CD2-CG2 4.04Å; L150-T181 HydrophobicContact CG-CG2 4.14Å; D179-T181 PolarHBondContact O-N 2.94Å; D179-T181 WeakPolarHBondContact OD1-CA 3.5Å; D179-T181 VanDerWaalsContact OD1-CB 3.27Å; D179-T181 WeakPolarHBondContact OD1-CB 3.18Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.4Å; D179-T181 PolarHBondContact OD1-N 2.89Å; D179-T181 PolarHBondContact OD1-OG1 2.94Å; D179-T181 PolarHBondContact OD2-OG1 3.05Å; T181-Y185 VanDerWaalsContact O-CE1 3.28Å; T181-Y185 WeakPolarHBondContact O-CE1 3.36Å; T181-Y185 PolarHBondContact O-OH 3.21Å
182A79Confident81.7Confident51 Ų5193.6 Ų93.642%0.42151%0.514SS..SBendtrans-69.7139.2176.600000110.6D179 P180D179-A182 HydrophobicContact CB-CB 4.41Å; D179-A182 WeakPolarHBondContact O-CB 3.42Å; D179-A182 PolarHBondContact O-N 2.74Å; P180-A182 VanDerWaalsContact C-N 3.31Å
183P79.5Confident81.6Confident96 Ų9699.1 Ų99.162%0.62354%0.536SS*.SBendtrans-63.4159.217825.2-33.1000112.3Y185P183-Y185 HydrophobicContact CB-CE2 4.37Å
184P78.8Confident81.4Confident128 Ų128103.9 Ų103.983%0.83156%0.556SS**PPolyproline II helixcis-86.9141.614.432.9-34.5000114.3
185Y78.1Confident81.2Confident72 Ų7298.8 Ų98.828%0.28254%0.544SS..PPolyproline II helixtrans-82.9155.4173.5-58.5-59.3000111.8D144 I146 T181 P183 S187D144-Y185 HydrophobicContact CB-CD2 4.25Å; I146-Y185 HydrophobicContact CD1-CE2 4.16Å; I146-Y185 HydrophobicContact CG1-CD1 4.38Å; I146-Y185 HydrophobicContact CG1-CD2 3.97Å; I146-Y185 HydrophobicContact CG1-CE1 4.31Å; I146-Y185 HydrophobicContact CG1-CE2 3.86Å; I146-Y185 HydrophobicContact CG1-CG 4.24Å; I146-Y185 HydrophobicContact CG2-CE1 4.39Å; T181-Y185 VanDerWaalsContact O-CE1 3.28Å; T181-Y185 WeakPolarHBondContact O-CE1 3.36Å; T181-Y185 PolarHBondContact O-OH 3.21Å; P183-Y185 HydrophobicContact CB-CE2 4.37Å; Y185-S187 PolarHBondContact O-N 3.26Å
186D82.3Confident80.9Confident138 Ų138100.7 Ų100.774%0.73856%0.557SS**EExtended strand (participates in β ladder)trans-70.6126171.3-73-22.8000109.9I145I145-D186 PolarHBondContact N-O 3.25Å
187S76Confident80.6Confident46 Ų46103.3 Ų103.332%0.32258%0.575SS.*EExtended strand (participates in β ladder)trans-95.9131.4177.370.30000111.3R143 Y185R143-S187 WeakPolarHBondContact O-CA 3.29Å; Y185-S187 PolarHBondContact O-N 3.26Å
188L78.1Confident80.4Confident96 Ų96102.2 Ų102.250%0.50358%0.577SS.*EExtended strand (participates in β ladder)trans-72.9136.1165.8-66.1176.9000110.3R143 I145R143-L188 PolarHBondContact O-N 3.12Å; R143-L188 VanDerWaalsContact O-N 3.09Å; I145-L188 HydrophobicContact CD1-CD1 3.68Å; I145-L188 HydrophobicContact CD1-CD2 3.38Å; I145-L188 HydrophobicContact CD1-CG 3.23Å; I145-L188 HydrophobicContact CG1-CD1 3.95Å; I145-L188 HydrophobicContact CG1-CD2 4.31Å; I145-L188 HydrophobicContact CG1-CG 3.62Å
189A75.6Confident80.1Confident44 Ų44103.5 Ų103.536%0.36458%0.583SS.*EExtended strand (participates in β ladder)trans-104.910716300000108Y191A189-Y191 HydrophobicContact CB-CE1 4.48Å; A189-Y191 HydrophobicContact CB-CE2 3.73Å; A189-Y191 WeakPolarHBondContact O-CD2 3.42Å; A189-Y191 WeakPolarHBondContact O-CE2 3.34Å; A189-Y191 PolarHBondContact O-N 3.22Å
190T75.2Confident79.9Confident73 Ų73105.6 Ų105.645%0.44860%0.604SS.*  trans-81.6112175.4-53.80000109.2L141L141-T190 WeakPolarHBondContact CD2-O 3.49Å
191Y79.2Confident79.5Confident206 Ų206109.5 Ų109.581%0.80861%0.614SS**  trans-95.4128.5172.9-55.6-82.3000109.3A189A189-Y191 HydrophobicContact CB-CE1 4.48Å; A189-Y191 HydrophobicContact CB-CE2 3.73Å; A189-Y191 WeakPolarHBondContact O-CD2 3.42Å; A189-Y191 WeakPolarHBondContact O-CE2 3.34Å; A189-Y191 PolarHBondContact O-N 3.22Å
192A80.4Confident79.5Confident96 Ų96112.9 Ų112.979%0.79364%0.639SS**  trans-133.420.3176.700000112E194A192-E194 PolarHBondContact O-N 2.94Å
193Y82.8Confident79.5Confident179 Ų179117.7 Ų117.770%0.70266%0.657SS**  trans-81.3107.7-178.2-177.6-102.8000110G195 N196Y193-G195 VanDerWaalsContact C-N 3.26Å; Y193-G195 VanDerWaalsContact CE1-CA 3.5Å; Y193-N196 PolarHBondContact OH-OD1 3.31Å
194E85.9Confident79.5Confident193 Ų193118.7 Ų118.790%0.90267%0.667SS**  trans-80.1-7.6-179.7-172.7169.3-178.200113A192A192-E194 PolarHBondContact O-N 2.94Å
195G84.1Confident79.5Confident37 Ų37117.6 Ų117.638%0.38166%0.662SS.*  trans96.8170.8-16500000110.8Y193Y193-G195 VanDerWaalsContact C-N 3.26Å; Y193-G195 VanDerWaalsContact CE1-CA 3.5Å
196N81.5Confident79.3Confident116 Ų116122.6 Ų122.662%0.6269%0.692SS**  trans-90.8140.6164-75.382.4000107.2Y193 S198Y193-N196 PolarHBondContact OH-OD1 3.31Å; N196-S198 PolarHBondContact O-N 3.22Å; N196-S198 PolarHBondContact O-OG 3.35Å
197D80.1Confident78.8Confident168 Ų168123.2 Ų123.290%0.89869%0.691SS**  trans-56.870.8174.6-71.5-40000111.7I199D197-I199 PolarHBondContact O-N 2.96Å
198S82.4Confident78Confident98 Ų98126.4 Ų126.469%0.68571%0.713SS**  trans-84.2118.7-175.2-57.20000106.3N196 A200N196-S198 PolarHBondContact O-N 3.22Å; N196-S198 PolarHBondContact O-OG 3.35Å; S198-A200 PolarHBondContact O-N 3.14Å
199I78.1Confident77.1Confident159 Ų159124.7 Ų124.782%0.81572%0.718SS**  trans-60.1123.8172.3-64.7166.3000106.8D197 E201D197-I199 PolarHBondContact O-N 2.96Å; I199-E201 PolarHBondContact O-N 3.29Å
200A79.8Confident76.1Confident74 Ų74127.9 Ų127.961%0.61273%0.734SS**  trans-61.1106.9172.400000107.9S198 S202S198-A200 PolarHBondContact O-N 3.14Å; A200-S202 PolarHBondContact O-N 3.1Å; A200-S202 VanDerWaalsContact O-N 3.12Å
201E72.4Confident75.2Confident184 Ų184130.5 Ų130.586%0.8675%0.75SS**  trans-60.9-28.7-161.4-169.6174.1175.500113.4I199I199-E201 PolarHBondContact O-N 3.29Å
202S80.8Confident74.3Confident116 Ų116130.1 Ų130.181%0.81176%0.755SS**  trans-171.2136.9163.8-79.90000110.2A200A200-S202 PolarHBondContact O-N 3.1Å; A200-S202 VanDerWaalsContact O-N 3.12Å
203L78.9Confident73.3Confident152 Ų152127.9 Ų127.980%0.79674%0.742SS**PPolyproline II helixtrans-92.5134165.4-61.6178.6000108.2S205L203-S205 PolarHBondContact O-N 2.93Å
204S78.5Confident72.4Confident118 Ų118126.3 Ų126.383%0.82575%0.746SS**PPolyproline II helixtrans-56.2126.5174.1-58.70000109.7L206S204-L206 PolarHBondContact O-N 3.37Å
205S79.8Confident71.8Confident104 Ų104125.2 Ų125.273%0.72774%0.741SS**PPolyproline II helixtrans-63.2129.3171.4-67.70000108.6L203 E207L203-S205 PolarHBondContact O-N 2.93Å; S205-E207 PolarHBondContact O-N 3.46Å
206L74.4Confident71.6Confident177 Ų177127.5 Ų127.593%0.92774%0.744SS**  trans-75.532.6175.6-67.7167.9000111.8S204 S208S204-L206 PolarHBondContact O-N 3.37Å; L206-S208 PolarHBondContact O-N 2.82Å
207E70.4Confident71.6Confident151 Ų151125.7 Ų125.771%0.70673%0.729SS**  trans-62.4101.7179.9-164.9165.8-169.100107.7S205 G209S205-E207 PolarHBondContact O-N 3.46Å; E207-G209 PolarHBondContact O-N 3.35Å; E207-G209 VanDerWaalsContact O-N 3.1Å
208S59.8Low71.7Confident114 Ų114121.2 Ų121.280%0.79771%0.705SS**  trans-57.8116.3172.2-173.80000105.5L206 T210L206-S208 PolarHBondContact O-N 2.82Å; S208-T210 PolarHBondContact O-N 2.8Å
209G58.2Low71.7Confident59 Ų59121.8 Ų121.861%0.60869%0.693SS**  trans-38.3123.6-168.300000111E207 T211E207-G209 PolarHBondContact O-N 3.35Å; E207-G209 VanDerWaalsContact O-N 3.1Å; G209-T211 PolarHBondContact O-N 2.74Å
210T55.8Low72.2Confident112 Ų112114.9 Ų114.969%0.68766%0.657SS**  trans-44113.6169.450.50000106.2S208 E212S208-T210 PolarHBondContact O-N 2.8Å; T210-E212 PolarHBondContact O-N 2.88Å
211T56.8Low72.4Confident128 Ų128118.6 Ų118.679%0.78566%0.656SS**  trans-60.1100.8174.750.50000104.9G209 G213G209-T211 PolarHBondContact O-N 2.74Å; T211-G213 PolarHBondContact O-N 3.18Å
212E60.3Low73.2Confident197 Ų197118.1 Ų118.192%0.92165%0.653SS**  trans-68.143.1158.4-158.3175.8-155.800107.8T210T210-E212 PolarHBondContact O-N 2.88Å
213G59Low73.6Confident50 Ų50119.4 Ų119.452%0.51564%0.641SS.*  trans-94.9105.7176.800000104.9T211T211-G213 PolarHBondContact O-N 3.18Å
214D63.6Low74Confident146 Ų146113.3 Ų113.378%0.78161%0.614SS**  trans2.1115.6167.9-59.1-30.5000114.5N216D214-N216 HydrophobicContact CB-CB 4.45Å; D214-N216 PolarHBondContact O-N 3.06Å
215Q72.6Confident74.4Confident170 Ų170113 Ų11379%0.79461%0.609SS**  trans-65.739169.5-63.3177.19.300111.9Y217Q215-Y217 HydrophobicContact CB-CE2 3.88Å; Q215-Y217 WeakPolarHBondContact O-CD2 3.47Å; Q215-Y217 WeakPolarHBondContact O-CE2 3.13Å
216N79.7Confident75Confident84 Ų84118.2 Ų118.245%0.44961%0.613SS.*  trans-82.1116.2172.9-174.9-15.3000108.4D214 D218 Y219D214-N216 HydrophobicContact CB-CB 4.45Å; D214-N216 PolarHBondContact O-N 3.06Å; N216-D218 PolarHBondContact ND2-OD2 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.36Å; N216-D218 PolarHBondContact OD1-N 2.93Å; N216-D218 PolarHBondContact OD1-OD2 3.19Å; N216-Y219 WeakPolarHBondContact O-CE1 3.22Å
217Y82.7Confident75.7Confident79 Ų79112.5 Ų112.531%0.3158%0.581SS.*  trans-110.320.7179.2-61.1-78000113Q215 Y219 L220 Y234Q215-Y217 HydrophobicContact CB-CE2 3.88Å; Q215-Y217 WeakPolarHBondContact O-CD2 3.47Å; Q215-Y217 WeakPolarHBondContact O-CE2 3.13Å; Y217-Y219 AromaticContact CD1-CZ 3.89Å; Y217-Y219 WeakPolarHBondContact CD1-OH 3.42Å; Y217-Y219 PolarHBondContact O-N 3.26Å; Y217-Y219 VanDerWaalsContact O-N 3.12Å; Y217-L220 HydrophobicContact CD1-CD1 4.45Å; Y217-L220 HydrophobicContact CG-CD1 4.41Å; Y217-L220 VanDerWaalsContact O-CB 3.28Å; Y217-L220 WeakPolarHBondContact O-CB 3.25Å; Y217-L220 WeakPolarHBondContact O-CG 3.49Å; Y217-L220 PolarHBondContact O-N 3.37Å; Y217-Y234 HydrophobicContact CD2-CD1 4.03Å; Y217-Y234 HydrophobicContact CD2-CG 4.32Å; Y217-Y234 HydrophobicContact CE2-CD1 4.11Å
218D82.3Confident76.5Confident73 Ų73109.6 Ų109.639%0.3957%0.571SS.*G310 helixtrans-56.8-30.5-177.7-73.4-28.1000113N216 L220 R221N216-D218 PolarHBondContact ND2-OD2 3.25Å; N216-D218 WeakPolarHBondContact OD1-CB 3.36Å; N216-D218 PolarHBondContact OD1-N 2.93Å; N216-D218 PolarHBondContact OD1-OD2 3.19Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-L220 VanDerWaalsContact O-N 3.13Å; D218-R221 WeakPolarHBondContact O-CB 3.3Å; D218-R221 WeakPolarHBondContact O-CG 3.19Å; D218-R221 PolarHBondContact O-N 2.85Å; D218-R221 VanDerWaalsContact O-N 3.1Å
219Y82.6Confident77.8Confident110 Ų110111.4 Ų111.443%0.43156%0.564SS.*G310 helixtrans-60.5-20.8175.955.7-100.9000113.9N216 Y217 R221 E222 W223N216-Y219 WeakPolarHBondContact O-CE1 3.22Å; Y217-Y219 AromaticContact CD1-CZ 3.89Å; Y217-Y219 WeakPolarHBondContact CD1-OH 3.42Å; Y217-Y219 PolarHBondContact O-N 3.26Å; Y217-Y219 VanDerWaalsContact O-N 3.12Å; Y219-R221 PolarHBondContact O-N 3.23Å; Y219-E222 PolarHBondContact O-N 2.71Å; Y219-E222 VanDerWaalsContact O-N 3.12Å; Y219-W223 AromaticContact CD2-CE2 4Å; Y219-W223 AromaticContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CE2-CH2 4.32Å; Y219-W223 HydrophobicContact CE2-CZ2 4.02Å; Y219-W223 VanDerWaalsContact O-CD1 3.24Å
220L87.9Confident79.2Confident14 Ų14112 Ų1127%0.07355%0.553CS.*G310 helixtrans-63.1-25176.1-67.1177000112.3Y217 D218 E222 W223 L230 A231Y217-L220 HydrophobicContact CD1-CD1 4.45Å; Y217-L220 HydrophobicContact CG-CD1 4.41Å; Y217-L220 VanDerWaalsContact O-CB 3.28Å; Y217-L220 WeakPolarHBondContact O-CB 3.25Å; Y217-L220 WeakPolarHBondContact O-CG 3.49Å; Y217-L220 PolarHBondContact O-N 3.37Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-L220 VanDerWaalsContact O-N 3.13Å; L220-E222 PolarHBondContact O-N 3.42Å; L220-W223 HydrophobicContact CD2-CD2 4.2Å; L220-W223 HydrophobicContact CD2-CE3 3.77Å; L220-W223 HydrophobicContact CD2-CH2 4.37Å; L220-W223 HydrophobicContact CD2-CZ3 3.86Å; L220-W223 PolarHBondContact O-N 3.1Å; L220-L230 HydrophobicContact CD1-CB 4.07Å; L220-A231 HydrophobicContact CB-CB 3.85Å
221R83.6Confident80.7Confident153 Ų153107.1 Ų107.158%0.57752%0.524SS*.G310 helixtrans-65.5-27.5176.8-64.6176.1175.9-165.10.3112.1D218 Y219 A231 G235D218-R221 WeakPolarHBondContact O-CB 3.3Å; D218-R221 WeakPolarHBondContact O-CG 3.19Å; D218-R221 PolarHBondContact O-N 2.85Å; D218-R221 VanDerWaalsContact O-N 3.1Å; Y219-R221 PolarHBondContact O-N 3.23Å; R221-A231 HydrophobicContact CG-CB 3.9Å; R221-G235 PolarHBondContact NH2-O 3.37Å
222E89.9Confident82Confident173 Ų173108.9 Ų108.981%0.80852%0.523SS*.G310 helixtrans-90.9-11.7-177.2-60.9-177178.400113Y219 L220 G224Y219-E222 PolarHBondContact O-N 2.71Å; Y219-E222 VanDerWaalsContact O-N 3.12Å; L220-E222 PolarHBondContact O-N 3.42Å; E222-G224 PolarHBondContact O-N 3.39Å
223W89.1Confident83.2Confident143 Ų143105 Ų10554%0.54251%0.506SS..SBendtrans-76.5-3.3-177.5-73.714.8000114.3Y219 L220 F227Y219-W223 AromaticContact CD2-CE2 4Å; Y219-W223 AromaticContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CD2-CZ2 3.88Å; Y219-W223 HydrophobicContact CE2-CH2 4.32Å; Y219-W223 HydrophobicContact CE2-CZ2 4.02Å; Y219-W223 VanDerWaalsContact O-CD1 3.24Å; L220-W223 HydrophobicContact CD2-CD2 4.2Å; L220-W223 HydrophobicContact CD2-CE3 3.77Å; L220-W223 HydrophobicContact CD2-CH2 4.37Å; L220-W223 HydrophobicContact CD2-CZ3 3.86Å; L220-W223 PolarHBondContact O-N 3.1Å; W223-F227 HydrophobicContact CB-CB 3.98Å; W223-F227 HydrophobicContact CB-CD2 3.64Å; W223-F227 HydrophobicContact CB-CE2 4.28Å; W223-F227 HydrophobicContact CB-CG 3.85Å; W223-F227 AromaticContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD2 4.42Å; W223-F227 AromaticContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE2 4.41Å; W223-F227 HydrophobicContact CE3-CG 4.09Å; W223-F227 HydrophobicContact CE3-CZ 4.1Å; W223-F227 HydrophobicContact CZ3-CD1 4.4Å; W223-F227 HydrophobicContact CZ3-CE1 4.17Å; W223-F227 WeakPolarHBondContact O-CD2 3.33Å
224G86.5Confident84.2Confident24 Ų24108.7 Ų108.725%0.24751%0.506CS..  trans91.7-180172.700000114.7E222 R226 F227E222-G224 PolarHBondContact O-N 3.39Å; G224-R226 PolarHBondContact O-N 2.83Å; G224-F227 PolarHBondContact O-N 3.3Å
225P88Confident84.6Confident111 Ų111101.9 Ų101.972%0.72147%0.47SS*.THydrogen-bonded Turntrans-64-20.9-159.420.7-32.2000115F227P225-F227 VanDerWaalsContact C-N 3.27Å; P225-F227 PolarHBondContact O-N 2.97Å
226R91.1Very high84.3Confident214 Ų21496.9 Ų96.981%0.80846%0.464SS*.THydrogen-bonded Turntrans-70.2-24.3175.7-60.7-163.3-56.4-95.4-1.4113G224G224-R226 PolarHBondContact O-N 2.83Å
227F90.6Very high83.2Confident58 Ų5896.6 Ų96.625%0.25448%0.481SS..SBendtrans-102.2-0.8-177-63-87.8000112.9W223 G224 P225 K229 L230 A231W223-F227 HydrophobicContact CB-CB 3.98Å; W223-F227 HydrophobicContact CB-CD2 3.64Å; W223-F227 HydrophobicContact CB-CE2 4.28Å; W223-F227 HydrophobicContact CB-CG 3.85Å; W223-F227 AromaticContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD1 3.74Å; W223-F227 HydrophobicContact CE3-CD2 4.42Å; W223-F227 AromaticContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE1 3.76Å; W223-F227 HydrophobicContact CE3-CE2 4.41Å; W223-F227 HydrophobicContact CE3-CG 4.09Å; W223-F227 HydrophobicContact CE3-CZ 4.1Å; W223-F227 HydrophobicContact CZ3-CD1 4.4Å; W223-F227 HydrophobicContact CZ3-CE1 4.17Å; W223-F227 WeakPolarHBondContact O-CD2 3.33Å; G224-F227 PolarHBondContact O-N 3.3Å; P225-F227 VanDerWaalsContact C-N 3.27Å; P225-F227 PolarHBondContact O-N 2.97Å; F227-K229 PolarHBondContact O-N 2.69Å; F227-K229 VanDerWaalsContact O-N 3.14Å; F227-L230 HydrophobicContact CD1-CD1 3.99Å; F227-L230 WeakPolarHBondContact O-CA 3.28Å; F227-L230 PolarHBondContact O-N 2.96Å; F227-A231 PolarHBondContact O-N 3.12Å
228N85.2Confident82Confident90 Ų90102.1 Ų102.148%0.48151%0.51SS..Hα-helixtrans-51.2-41.2179-79.35.8000112.7L230 A231 E232N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 3.06Å; N228-A231 PolarHBondContact O-N 3.14Å; N228-E232 VanDerWaalsContact O-CB 3.3Å; N228-E232 WeakPolarHBondContact O-CB 3.1Å; N228-E232 PolarHBondContact O-N 2.88Å
229K87.8Confident80.7Confident152 Ų152103.6 Ų103.666%0.66153%0.526SS*.Hα-helixtrans-65.1-36.1179.3-168.3167.6-174.8174.70112.6F227 M233F227-K229 PolarHBondContact O-N 2.69Å; F227-K229 VanDerWaalsContact O-N 3.14Å; K229-M233 HydrophobicContact CG-CE 4.41Å; K229-M233 VanDerWaalsContact O-CG 3.25Å; K229-M233 WeakPolarHBondContact O-CG 3.48Å; K229-M233 PolarHBondContact O-N 2.83Å; K229-M233 VanDerWaalsContact O-N 3.1Å
230L88.3Confident79.4Confident71 Ų71105.5 Ų105.537%0.37254%0.543SS..Hα-helixtrans-74.8-40175.6-70.5165.9000110.9L220 F227 N228 E232 M233 Y234L220-L230 HydrophobicContact CD1-CB 4.07Å; F227-L230 HydrophobicContact CD1-CD1 3.99Å; F227-L230 WeakPolarHBondContact O-CA 3.28Å; F227-L230 PolarHBondContact O-N 2.96Å; N228-L230 VanDerWaalsContact C-N 3.32Å; N228-L230 PolarHBondContact O-N 3.06Å; L230-E232 VanDerWaalsContact C-N 3.26Å; L230-E232 PolarHBondContact O-N 2.91Å; L230-M233 HydrophobicContact CD2-CE 3.66Å; L230-M233 HydrophobicContact CG-CE 4.4Å; L230-M233 PolarHBondContact O-N 3.45Å; L230-Y234 HydrophobicContact CD2-CD2 4.35Å; L230-Y234 HydrophobicContact CD2-CE2 4.11Å; L230-Y234 WeakPolarHBondContact O-CB 3.35Å; L230-Y234 WeakPolarHBondContact O-CD2 3.43Å; L230-Y234 PolarHBondContact O-N 3.1Å
231A87.5Confident77.6Confident10 Ų10114.8 Ų114.88%0.08358%0.583CS.*Hα-helixtrans-61.5-35.7174.400000112.2L220 R221 F227 N228 G235L220-A231 HydrophobicContact CB-CB 3.85Å; R221-A231 HydrophobicContact CG-CB 3.9Å; F227-A231 PolarHBondContact O-N 3.12Å; N228-A231 PolarHBondContact O-N 3.14Å; A231-G235 WeakPolarHBondContact O-CA 3.18Å; A231-G235 PolarHBondContact O-N 3.38Å
232E83.7Confident75.9Confident164 Ų164114.8 Ų114.877%0.76659%0.594SS**Hα-helixtrans-69.9-42.8173.7-174.4-179.5-177.100111.8N228 L230N228-E232 VanDerWaalsContact O-CB 3.3Å; N228-E232 WeakPolarHBondContact O-CB 3.1Å; N228-E232 PolarHBondContact O-N 2.88Å; L230-E232 VanDerWaalsContact C-N 3.26Å; L230-E232 PolarHBondContact O-N 2.91Å
233M85.4Confident73.7Confident115 Ų115116 Ų11657%0.56762%0.622SS**Hα-helixtrans-71.7-28.8-179.9-72.1-174.2-51.300113.8K229 L230K229-M233 HydrophobicContact CG-CE 4.41Å; K229-M233 VanDerWaalsContact O-CG 3.25Å; K229-M233 WeakPolarHBondContact O-CG 3.48Å; K229-M233 PolarHBondContact O-N 2.83Å; K229-M233 VanDerWaalsContact O-N 3.1Å; L230-M233 HydrophobicContact CD2-CE 3.66Å; L230-M233 HydrophobicContact CG-CE 4.4Å; L230-M233 PolarHBondContact O-N 3.45Å
234Y79.3Confident72.9Confident129 Ų129114.7 Ų114.751%0.50663%0.626SS.*Hα-helixtrans-121.8-11.4-170.7-69-84.1000115.2Y217 L230 G236Y217-Y234 HydrophobicContact CD2-CD1 4.03Å; Y217-Y234 HydrophobicContact CD2-CG 4.32Å; Y217-Y234 HydrophobicContact CE2-CD1 4.11Å; L230-Y234 HydrophobicContact CD2-CD2 4.35Å; L230-Y234 HydrophobicContact CD2-CE2 4.11Å; L230-Y234 WeakPolarHBondContact O-CB 3.35Å; L230-Y234 WeakPolarHBondContact O-CD2 3.43Å; L230-Y234 PolarHBondContact O-N 3.1Å; Y234-G236 VanDerWaalsContact C-N 3.32Å; Y234-G236 PolarHBondContact O-N 3.24Å
235G72.8Confident72.2Confident3 Ų3119.4 Ų119.43%0.03165%0.646CS.*SBendtrans-8728.8-173.900000116R221 A231R221-G235 PolarHBondContact NH2-O 3.37Å; A231-G235 WeakPolarHBondContact O-CA 3.18Å; A231-G235 PolarHBondContact O-N 3.38Å
236G65.8Low71.4Confident65 Ų65119.9 Ų119.967%0.6764%0.642SS**  trans89.6112.2168.600000116.3Y234Y234-G236 VanDerWaalsContact C-N 3.32Å; Y234-G236 PolarHBondContact O-N 3.24Å
237G57Low70.2Confident78 Ų78114.4 Ų114.480%0.80463%0.632SS**  trans-97106.1154.400000108.9S239G237-S239 VanDerWaalsContact C-N 3.35Å; G237-S239 PolarHBondContact O-N 3.13Å
238E56.8Low68.9Low194 Ų194117.9 Ų117.991%0.90766%0.656SS**  trans-67.698.5160.3-66.2-176.9173.100106.8D240E238-D240 PolarHBondContact O-N 2.98Å
239S55Low67.8Low104 Ų104119.7 Ų119.773%0.72767%0.668SS**  trans-69.5110.2167.458.60000108.3G237 K241G237-S239 VanDerWaalsContact C-N 3.35Å; G237-S239 PolarHBondContact O-N 3.13Å; S239-K241 PolarHBondContact O-N 3.12Å
240D55.7Low66.4Low151 Ų151117.4 Ų117.481%0.80767%0.668SS**  trans2.1102.4151.1-60.1-39.3000114.5E238E238-D240 PolarHBondContact O-N 2.98Å
241K50.7Low64.7Low209 Ų209121 Ų12191%0.90969%0.691SS**  trans-100.397.1155.4-95.4179.5177.5165.80107.4S239 S243S239-K241 PolarHBondContact O-N 3.12Å; K241-S243 PolarHBondContact O-N 3.23Å
242D48.3Very low62.8Low152 Ų152130.3 Ų130.381%0.81374%0.742SS**  trans-52.3123.8164.5-72-41.9000110.7
243S43.7Very low60.9Low199 Ų199127.2 Ų127.2100%1.39274%0.739SS**  trans-163.60147.4-73.50000109.8K241K241-S243 PolarHBondContact O-N 3.23Å

Retrieved 243 of 243 residues in 40.5 ms (Link to these results)