A0A096NCC8_PAPAN Loading...

N-myc and STAT interactor

AlphaFold DB , UniProt , Accession A0A096NCC8, Species PAPAN (Papio anubis, Olive baboon), Gene NMI, Length 307 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low41.4Very low251 Ų251157.5 Ų157.5100%1.23683%0.827SS**  0131.60-76.1-180-143.400107.2
2E37.3Very low41.5Very low196 Ų196157.8 Ų157.892%0.91683%0.829SS**  trans-82.5171.7-166.4-69160.4123.400114.9
3A37.2Very low41.7Very low95 Ų95159.2 Ų159.279%0.78582%0.824SS**  trans96.987.9146.400000120.8
4D42.6Very low41.8Very low139 Ų139160.9 Ų160.974%0.74383%0.826SS**  29122.8109.5-152.725.5000121.8
5K41.8Very low42Very low181 Ų181159.8 Ų159.879%0.78782%0.816SS**  160113.2114.4-85.6-172.4179.4-178.80116.6
6D46.4Very low42Very low146 Ų146151.9 Ų151.978%0.78179%0.787SS**  50.6122.4128.5-96.3-10.9000126.4
7N42.5Very low42.5Very low117 Ų117149.4 Ų149.463%0.62678%0.782SS**  75.7119.9115.1-15110.2000121.5
8T39.4Very low42.8Very low145 Ų145149.3 Ų149.389%0.8978%0.777SS**  trans-156.1135131-55.20000110.9
9Q42.3Very low43.1Very low161 Ų161147.8 Ų147.875%0.75277%0.765SS**  trans-75.5160.1-166-66.4165.8-61.400117
10Q49.2Very low43.4Very low172 Ų172148.5 Ų148.580%0.80476%0.762SS**  trans-28.8143.1147.9-69.6164.7-35.700115.5
11V38.2Very low43.9Very low129 Ų129145.9 Ų145.978%0.78275%0.749SS**  trans-147.299.7130.3-176.10000109.5K13V11-K13 HydrophobicContact CG1-CG 4.06Å
12L42.7Very low44.7Very low161 Ų161140 Ų14084%0.84372%0.716SS**  trans-78.3117.6151.4-90137.9000106.6E14L12-E14 PolarHBondContact O-N 3.47Å
13K44.1Very low45.8Very low176 Ų176135.9 Ų135.977%0.76570%0.701SS**  trans-80.593.4168.9-85.1-172.8175.3-176.40109.1V11 H15V11-K13 HydrophobicContact CG1-CG 4.06Å; K13-H15 PolarHBondContact O-N 3.45Å
14E42.9Very low47Very low183 Ų183138.1 Ų138.186%0.85570%0.695SS**  trans-62.3117.2160.7-72.7-179151.900109.3L12L12-E14 PolarHBondContact O-N 3.47Å
15H45.2Very low48.1Very low145 Ų145136.7 Ų136.767%0.67168%0.684SS**  trans-89.3108.9160.2-71.248.5000106.1K13K13-H15 PolarHBondContact O-N 3.45Å
16G41.6Very low49.3Very low34 Ų34132.6 Ų132.635%0.35167%0.671SS.*  trans-76159.9-173.600000113.5H18G16-H18 PolarHBondContact O-N 2.94Å
17P50.6Low50.6Low108 Ų108132.3 Ų132.370%0.70166%0.662SS**THydrogen-bonded Turntrans-64.2-0.5177.425.5-33.6000114.7I21P17-I21 WeakPolarHBondContact O-CD1 3.08Å; P17-I21 WeakPolarHBondContact O-CG1 3.45Å
18H48Very low52.2Low149 Ų149133.3 Ų133.369%0.6966%0.663SS**Hα-helixtrans-82.9-19.8-174.5-140.5-48.6000113.9G16G16-H18 PolarHBondContact O-N 2.94Å
19E48.3Very low54Low121 Ų121131.9 Ų131.957%0.56565%0.65SS**Hα-helixtrans-79-43.6175.5-106.3170.8168.100111.7I21 K22 D23E19-I21 PolarHBondContact O-N 3.07Å; E19-K22 PolarHBondContact O-N 3.03Å; E19-D23 PolarHBondContact O-N 3.1Å
20F49.3Very low55.7Low160 Ų160127.6 Ų127.670%0.70263%0.634SS**Hα-helixtrans-64.7-37.5-178.6-80.3-87.7000114K22 D23 E24F20-K22 VanDerWaalsContact C-N 3.35Å; F20-D23 PolarHBondContact O-N 3.04Å; F20-E24 PolarHBondContact O-N 3.15Å
21I54.4Low57.4Low95 Ų95124 Ų12449%0.48762%0.621SS.*Hα-helixtrans-70.9-32.2-179.5-61.4170.5000111.4P17 E19 Q25P17-I21 WeakPolarHBondContact O-CD1 3.08Å; P17-I21 WeakPolarHBondContact O-CG1 3.45Å; E19-I21 PolarHBondContact O-N 3.07Å; I21-Q25 WeakPolarHBondContact O-CG 3.48Å; I21-Q25 PolarHBondContact O-N 3.31Å
22K55.5Low59.6Low126 Ų126122.9 Ų122.955%0.54861%0.607SS.*Hα-helixtrans-70-37.7175.3-96.7179.6173.4179.10112E19 F20 N26E19-K22 PolarHBondContact O-N 3.03Å; F20-K22 VanDerWaalsContact C-N 3.35Å; K22-N26 VanDerWaalsContact O-CB 3.23Å; K22-N26 WeakPolarHBondContact O-CB 3.23Å; K22-N26 PolarHBondContact O-N 2.7Å; K22-N26 PolarHBondContact O-ND2 3.19Å; K22-N26 VanDerWaalsContact O-ND2 3.13Å
23D59.3Low61.5Low110 Ų110120.5 Ų120.559%0.58859%0.593SS**Hα-helixtrans-69.4-36.1178.9-79.6-13.1000112.4E19 F20 K27E19-D23 PolarHBondContact O-N 3.1Å; F20-D23 PolarHBondContact O-N 3.04Å; D23-K27 VanDerWaalsContact O-CB 3.26Å; D23-K27 WeakPolarHBondContact O-CB 3.37Å; D23-K27 PolarHBondContact O-N 2.76Å
24E63.5Low63.5Low142 Ų142115.4 Ų115.466%0.66458%0.577SS**Hα-helixtrans-71.2-42.9177.3-161.4162.5-148.100112F20 K27 E28F20-E24 PolarHBondContact O-N 3.15Å; E24-K27 PolarHBondContact O-N 3.07Å; E24-E28 PolarHBondContact O-N 2.77Å
25Q64.9Low65.8Low110 Ų110113.1 Ų113.151%0.51456%0.564SS.*Hα-helixtrans-65.4-39.1173.7-73.5-179.8-19.600112.8I21 K27 L29I21-Q25 WeakPolarHBondContact O-CG 3.48Å; I21-Q25 PolarHBondContact O-N 3.31Å; Q25-K27 VanDerWaalsContact C-N 3.34Å; Q25-L29 WeakPolarHBondContact O-CD1 3.12Å; Q25-L29 PolarHBondContact O-N 2.94Å; Q25-L29 VanDerWaalsContact O-N 3.08Å
26N66.6Low67.8Low94 Ų94111.3 Ų111.350%0.50355%0.554SS.*Hα-helixtrans-65.1-40.5174.7-75.9-22.6000111K22 L29 T30K22-N26 VanDerWaalsContact O-CB 3.23Å; K22-N26 WeakPolarHBondContact O-CB 3.23Å; K22-N26 PolarHBondContact O-N 2.7Å; K22-N26 PolarHBondContact O-ND2 3.19Å; K22-N26 VanDerWaalsContact O-ND2 3.13Å; N26-L29 PolarHBondContact O-N 3.43Å; N26-T30 PolarHBondContact O-N 2.85Å; N26-T30 PolarHBondContact O-OG1 3.42Å
27K75.2Confident69.8Low140 Ų140113.7 Ų113.761%0.60956%0.559SS**Hα-helixtrans-63.6-44.5178.1-168.2177.3179.6-173.90112D23 E24 Q25 L29 T30 D31D23-K27 VanDerWaalsContact O-CB 3.26Å; D23-K27 WeakPolarHBondContact O-CB 3.37Å; D23-K27 PolarHBondContact O-N 2.76Å; E24-K27 PolarHBondContact O-N 3.07Å; Q25-K27 VanDerWaalsContact C-N 3.34Å; K27-L29 PolarHBondContact O-N 3.01Å; K27-T30 PolarHBondContact O-N 3.33Å; K27-T30 VanDerWaalsContact O-N 3.13Å; K27-D31 PolarHBondContact O-N 2.85Å
28E76.1Confident71.8Confident138 Ų138113.1 Ų113.165%0.64555%0.549SS*.Hα-helixtrans-59.3-43.6172.8-84.3-172.515000112.4E24 T30 D31 E32E24-E28 PolarHBondContact O-N 2.77Å; E28-T30 VanDerWaalsContact C-N 3.29Å; E28-T30 PolarHBondContact O-N 3.43Å; E28-D31 PolarHBondContact O-N 2.82Å; E28-E32 PolarHBondContact O-N 3.16Å
29L76.8Confident73.8Confident116 Ų116111.1 Ų111.161%0.60754%0.54SS*.Hα-helixtrans-62-38.3174.5-105.394.7000112.2Q25 N26 K27 E32 M33Q25-L29 WeakPolarHBondContact O-CD1 3.12Å; Q25-L29 PolarHBondContact O-N 2.94Å; Q25-L29 VanDerWaalsContact O-N 3.08Å; N26-L29 PolarHBondContact O-N 3.43Å; K27-L29 PolarHBondContact O-N 3.01Å; L29-E32 PolarHBondContact O-N 3.37Å; L29-M33 VanDerWaalsContact O-CB 3.24Å; L29-M33 WeakPolarHBondContact O-CB 3.46Å; L29-M33 PolarHBondContact O-N 2.83Å
30T76.8Confident75.8Confident70 Ų70109.9 Ų109.943%0.42954%0.537SS..Hα-helixtrans-69.5-37.6-179.7-33.80000111N26 K27 E28 M33 T34N26-T30 PolarHBondContact O-N 2.85Å; N26-T30 PolarHBondContact O-OG1 3.42Å; K27-T30 PolarHBondContact O-N 3.33Å; K27-T30 VanDerWaalsContact O-N 3.13Å; E28-T30 VanDerWaalsContact C-N 3.29Å; E28-T30 PolarHBondContact O-N 3.43Å; T30-M33 PolarHBondContact O-N 3.43Å; T30-T34 WeakPolarHBondContact O-CB 3.38Å; T30-T34 PolarHBondContact O-N 3.38Å; T30-T34 PolarHBondContact O-OG1 2.85Å
31D84.9Confident77.7Confident96 Ų96109.3 Ų109.351%0.51353%0.534SS..Hα-helixtrans-69.1-39.6176.2-72.2-15000111.5K27 E28 T34 K35K27-D31 PolarHBondContact O-N 2.85Å; E28-D31 PolarHBondContact O-N 2.82Å; D31-T34 VanDerWaalsContact CA-OG1 3.26Å; D31-T34 WeakPolarHBondContact CA-OG1 3.48Å; D31-T34 PolarHBondContact O-OG1 3.3Å; D31-K35 WeakPolarHBondContact O-CB 3.42Å; D31-K35 PolarHBondContact O-N 2.66Å
32E85.2Confident79.4Confident106 Ų106110.6 Ų110.650%0.49554%0.538SS..Hα-helixtrans-66.9-40.5174.1-159.7-168.715400111.7E28 L29 K35 K36E28-E32 PolarHBondContact O-N 3.16Å; L29-E32 PolarHBondContact O-N 3.37Å; E32-K35 PolarHBondContact O-N 2.81Å; E32-K36 PolarHBondContact O-N 3.17Å; E32-K36 WeakPolarHBondContact OE1-CE 3.21Å; E32-K36 IonicContact OE1-NZ 3.03Å; E32-K36 PolarHBondContact OE1-NZ 2.89Å
33M82.6Confident81.1Confident112 Ų112110 Ų11055%0.55254%0.537SS*.Hα-helixtrans-68.9-36.9178.2-170174.966.800112.2L29 T30 N37L29-M33 VanDerWaalsContact O-CB 3.24Å; L29-M33 WeakPolarHBondContact O-CB 3.46Å; L29-M33 PolarHBondContact O-N 2.83Å; T30-M33 PolarHBondContact O-N 3.43Å; M33-N37 WeakPolarHBondContact O-CB 3.39Å; M33-N37 PolarHBondContact O-N 3.22Å; M33-N37 PolarHBondContact O-ND2 3.24Å
34T86.4Confident82.4Confident68 Ų68109.1 Ų109.142%0.41753%0.531SS..Hα-helixtrans-68-40.1173.739.20000111.4T30 D31 N37 I38T30-T34 WeakPolarHBondContact O-CB 3.38Å; T30-T34 PolarHBondContact O-N 3.38Å; T30-T34 PolarHBondContact O-OG1 2.85Å; D31-T34 VanDerWaalsContact CA-OG1 3.26Å; D31-T34 WeakPolarHBondContact CA-OG1 3.48Å; D31-T34 PolarHBondContact O-OG1 3.3Å; T34-N37 PolarHBondContact O-N 3.21Å; T34-I38 VanDerWaalsContact O-CG1 3.3Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.95Å
35K90.1Very high83.6Confident136 Ų136108.4 Ų108.459%0.59153%0.528SS*.Hα-helixtrans-60.6-45.6174.1-170.7177.6-179.6-179.40112.5D31 E32 I38 Q39D31-K35 WeakPolarHBondContact O-CB 3.42Å; D31-K35 PolarHBondContact O-N 2.66Å; E32-K35 PolarHBondContact O-N 2.81Å; K35-I38 PolarHBondContact O-N 2.87Å; K35-Q39 PolarHBondContact O-N 2.83Å
36K86.9Confident84.9Confident107 Ų107109.2 Ų109.247%0.46553%0.529SS..Hα-helixtrans-63.4-39.3174.8-75.2177.6-175157.10112.2E32 I38 Q39 L40E32-K36 PolarHBondContact O-N 3.17Å; E32-K36 WeakPolarHBondContact OE1-CE 3.21Å; E32-K36 IonicContact OE1-NZ 3.03Å; E32-K36 PolarHBondContact OE1-NZ 2.89Å; K36-I38 VanDerWaalsContact C-N 3.35Å; K36-I38 PolarHBondContact O-N 3.16Å; K36-Q39 PolarHBondContact O-N 3.03Å; K36-L40 WeakPolarHBondContact O-CB 3.28Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; K36-L40 PolarHBondContact O-N 3.46Å
37N84.4Confident85.8Confident84 Ų84109.4 Ų109.445%0.44953%0.53SS..Hα-helixtrans-65.2-36.7176-88.4-64.5000112.9M33 T34 K41M33-N37 WeakPolarHBondContact O-CB 3.39Å; M33-N37 PolarHBondContact O-N 3.22Å; M33-N37 PolarHBondContact O-ND2 3.24Å; T34-N37 PolarHBondContact O-N 3.21Å; N37-K41 WeakPolarHBondContact O-CB 3.48Å; N37-K41 WeakPolarHBondContact O-CG 3.39Å; N37-K41 PolarHBondContact O-N 2.75Å
38I92.6Very high85.9Confident95 Ų95108.3 Ų108.349%0.48753%0.527SS..Hα-helixtrans-66.5-47.9175.4-68.6163.8000109.8T34 K35 K36 L40 K41 E42T34-I38 VanDerWaalsContact O-CG1 3.3Å; T34-I38 WeakPolarHBondContact O-CG1 3.46Å; T34-I38 PolarHBondContact O-N 2.95Å; K35-I38 PolarHBondContact O-N 2.87Å; K36-I38 VanDerWaalsContact C-N 3.35Å; K36-I38 PolarHBondContact O-N 3.16Å; I38-L40 PolarHBondContact O-N 2.91Å; I38-K41 PolarHBondContact O-N 2.73Å; I38-K41 VanDerWaalsContact O-N 3.17Å; I38-E42 WeakPolarHBondContact O-CG 3.25Å; I38-E42 PolarHBondContact O-N 2.72Å
39Q90.6Very high86Confident108 Ų108104.6 Ų104.651%0.50551%0.514SS..Hα-helixtrans-59-45.3177-75.2-179.5-2800112.5K35 K36 K41 E42 E43K35-Q39 PolarHBondContact O-N 2.83Å; K36-Q39 PolarHBondContact O-N 3.03Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.01Å; Q39-E42 PolarHBondContact O-N 2.83Å; Q39-E43 WeakPolarHBondContact O-CB 3.47Å; Q39-E43 PolarHBondContact O-N 3.37Å
40L89.6Confident86.1Confident95 Ų95103.2 Ų103.250%0.49751%0.505SS..Hα-helixtrans-64.1-37.9177.2-75.7168.1000111.9K36 I38 E43 I44K36-L40 WeakPolarHBondContact O-CB 3.28Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; K36-L40 PolarHBondContact O-N 3.46Å; I38-L40 PolarHBondContact O-N 2.91Å; L40-E43 PolarHBondContact O-N 2.92Å; L40-I44 WeakPolarHBondContact O-CB 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 2.83Å
41K89.5Confident85.9Confident148 Ų148105.5 Ų105.564%0.64351%0.514SS*.Hα-helixtrans-65.2-41.5174.9-82.8-177.7175.8-174.90112.3N37 I38 Q39 E43 I44 Q45N37-K41 WeakPolarHBondContact O-CB 3.48Å; N37-K41 WeakPolarHBondContact O-CG 3.39Å; N37-K41 PolarHBondContact O-N 2.75Å; I38-K41 PolarHBondContact O-N 2.73Å; I38-K41 VanDerWaalsContact O-N 3.17Å; Q39-K41 VanDerWaalsContact C-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.01Å; K41-E43 VanDerWaalsContact C-N 3.34Å; K41-I44 PolarHBondContact O-N 3.49Å; K41-Q45 VanDerWaalsContact O-CB 3.31Å; K41-Q45 WeakPolarHBondContact O-CB 3.13Å; K41-Q45 PolarHBondContact O-N 3.29Å
42E90.1Very high84.9Confident121 Ų121106.1 Ų106.157%0.56551%0.513SS*.Hα-helixtrans-63.8-40.9175.5-71.7172.9172.400111.3I38 Q39 Q45 K46I38-E42 WeakPolarHBondContact O-CG 3.25Å; I38-E42 PolarHBondContact O-N 2.72Å; Q39-E42 PolarHBondContact O-N 2.83Å; E42-Q45 PolarHBondContact O-N 3.27Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.25Å
43E90.7Very high83.8Confident115 Ų115106.7 Ų106.754%0.53752%0.516SS..Hα-helixtrans-67.7-42.2177.3-166.7169.8-168.300112.1Q39 L40 K41 K46 L47Q39-E43 WeakPolarHBondContact O-CB 3.47Å; Q39-E43 PolarHBondContact O-N 3.37Å; L40-E43 PolarHBondContact O-N 2.92Å; K41-E43 VanDerWaalsContact C-N 3.34Å; E43-K46 PolarHBondContact O-N 3.08Å; E43-L47 HydrophobicContact CG-CD1 4.32Å; E43-L47 WeakPolarHBondContact O-CB 3.16Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.22Å; E43-L47 PolarHBondContact O-N 2.96Å
44I87.8Confident82.6Confident90 Ų90103.3 Ų103.346%0.46251%0.506SS..Hα-helixtrans-59.3-49.1172.2-71.6166.1000110L40 K41 K46 L47 E48L40-I44 WeakPolarHBondContact O-CB 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.46Å; L40-I44 PolarHBondContact O-N 2.83Å; K41-I44 PolarHBondContact O-N 3.49Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.27Å; I44-L47 PolarHBondContact O-N 2.91Å; I44-E48 HydrophobicContact CG2-CG 4.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 VanDerWaalsContact O-CG 3.31Å; I44-E48 WeakPolarHBondContact O-CG 3.31Å; I44-E48 PolarHBondContact O-N 2.81Å
45Q87.9Confident81Confident127 Ų127104.3 Ų104.359%0.59351%0.512SS*.Hα-helixtrans-64.6-36.3-178.3-168176.70.900111.9K41 E42 T49K41-Q45 VanDerWaalsContact O-CB 3.31Å; K41-Q45 WeakPolarHBondContact O-CB 3.13Å; K41-Q45 PolarHBondContact O-N 3.29Å; E42-Q45 PolarHBondContact O-N 3.27Å; Q45-T49 WeakPolarHBondContact O-CB 3.4Å; Q45-T49 PolarHBondContact O-N 3.45Å; Q45-T49 PolarHBondContact O-OG1 3.34Å
46K91.7Very high79.1Confident127 Ų127106.9 Ų106.955%0.55252%0.518SS*.Hα-helixtrans-63.1-49.5173.5-174.5-179.1-178.3-91.40111.2E42 E43 I44 E48 T49 E50E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 PolarHBondContact O-N 3.25Å; E43-K46 PolarHBondContact O-N 3.08Å; I44-K46 VanDerWaalsContact C-N 3.3Å; I44-K46 PolarHBondContact O-N 3.27Å; K46-E48 PolarHBondContact O-N 2.83Å; K46-T49 PolarHBondContact O-N 2.76Å; K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 IonicContact NZ-OE1 3.48Å; K46-E50 PolarHBondContact NZ-OE1 3.4Å; K46-E50 WeakPolarHBondContact O-CG 3.29Å; K46-E50 PolarHBondContact O-N 2.98Å
47L84.9Confident77.2Confident98 Ų98109.8 Ų109.851%0.51353%0.533SS..Hα-helixtrans-64.3-38.4178.7-71.9168.8000112.2E43 I44 T49 E50 L51E43-L47 HydrophobicContact CG-CD1 4.32Å; E43-L47 WeakPolarHBondContact O-CB 3.16Å; E43-L47 VanDerWaalsContact O-CG 3.31Å; E43-L47 WeakPolarHBondContact O-CG 3.22Å; E43-L47 PolarHBondContact O-N 2.96Å; I44-L47 PolarHBondContact O-N 2.91Å; L47-T49 VanDerWaalsContact C-N 3.32Å; L47-E50 PolarHBondContact O-N 3.48Å; L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.45Å; L47-L51 PolarHBondContact O-N 2.99Å
48E78.1Confident75.4Confident117 Ų117110.8 Ų110.855%0.54753%0.534SS..Hα-helixtrans-63.1-39.6173.8-76.3177.6165.500111.7I44 K46 L51 Q52I44-E48 HydrophobicContact CG2-CG 4.22Å; I44-E48 WeakPolarHBondContact O-CB 3.49Å; I44-E48 VanDerWaalsContact O-CG 3.31Å; I44-E48 WeakPolarHBondContact O-CG 3.31Å; I44-E48 PolarHBondContact O-N 2.81Å; K46-E48 PolarHBondContact O-N 2.83Å; E48-L51 PolarHBondContact O-N 2.87Å; E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 PolarHBondContact O-N 3.02Å
49T78.8Confident73Confident61 Ų61114 Ų11437%0.37455%0.547SS..Hα-helixtrans-69-46.3177.3-52.60000111Q45 K46 L47 L51 Q52 E53Q45-T49 WeakPolarHBondContact O-CB 3.4Å; Q45-T49 PolarHBondContact O-N 3.45Å; Q45-T49 PolarHBondContact O-OG1 3.34Å; K46-T49 PolarHBondContact O-N 2.76Å; L47-T49 VanDerWaalsContact C-N 3.32Å; T49-L51 VanDerWaalsContact C-N 3.29Å; T49-L51 PolarHBondContact O-N 2.78Å; T49-Q52 PolarHBondContact O-N 3.01Å; T49-Q52 VanDerWaalsContact O-N 3.16Å; T49-E53 HydrophobicContact CG2-CG 4.47Å; T49-E53 WeakPolarHBondContact O-CB 3.24Å; T49-E53 WeakPolarHBondContact O-CG 3.44Å; T49-E53 PolarHBondContact O-N 3.07Å
50E78.4Confident71.1Confident87 Ų87112 Ų11241%0.40754%0.539SS..Hα-helixtrans-58.4-41.2174.2-75.9176.5-168.900111.5K46 L47 A54K46-E50 WeakPolarHBondContact CE-OE1 3.48Å; K46-E50 IonicContact NZ-OE1 3.48Å; K46-E50 PolarHBondContact NZ-OE1 3.4Å; K46-E50 WeakPolarHBondContact O-CG 3.29Å; K46-E50 PolarHBondContact O-N 2.98Å; L47-E50 PolarHBondContact O-N 3.48Å; E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 3.35Å
51L71.7Confident69Low118 Ų118116.7 Ų116.762%0.61856%0.555SS**Hα-helixtrans-65.3-42.9175.8-175.865.6000111.6L47 E48 T49 T55L47-L51 VanDerWaalsContact O-CB 3.26Å; L47-L51 WeakPolarHBondContact O-CB 3.45Å; L47-L51 PolarHBondContact O-N 2.99Å; E48-L51 PolarHBondContact O-N 2.87Å; T49-L51 VanDerWaalsContact C-N 3.29Å; T49-L51 PolarHBondContact O-N 2.78Å; L51-T55 WeakPolarHBondContact O-CB 3.25Å; L51-T55 PolarHBondContact O-N 3.2Å; L51-T55 PolarHBondContact O-OG1 3.44Å
52Q65.5Low67.2Low109 Ų109113.7 Ų113.751%0.50954%0.543SS..Hα-helixtrans-68.9-37.6179.5-169.4177800112.4E48 T49 T55 R56E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 PolarHBondContact O-N 3.02Å; T49-Q52 PolarHBondContact O-N 3.01Å; T49-Q52 VanDerWaalsContact O-N 3.16Å; Q52-T55 PolarHBondContact O-N 3.13Å; Q52-R56 PolarHBondContact O-N 2.81Å; Q52-R56 VanDerWaalsContact O-N 3.1Å
53E61.3Low65.2Low118 Ų118115.9 Ų115.955%0.55156%0.559SS**Hα-helixtrans-65.2-48.4173.6-75.6-178.2169.200111T49 T55 R56 E57T49-E53 HydrophobicContact CG2-CG 4.47Å; T49-E53 WeakPolarHBondContact O-CB 3.24Å; T49-E53 WeakPolarHBondContact O-CG 3.44Å; T49-E53 PolarHBondContact O-N 3.07Å; E53-T55 VanDerWaalsContact C-N 3.26Å; E53-T55 PolarHBondContact O-N 2.9Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 VanDerWaalsContact O-N 3.1Å; E53-E57 PolarHBondContact O-N 3.24Å
54A57.9Low63.3Low41 Ų41115.2 Ų115.234%0.33956%0.558SS.*Hα-helixtrans-55.2-44.8172.400000110.9E50 R56 E57 F58E50-A54 VanDerWaalsContact O-CB 3.3Å; E50-A54 WeakPolarHBondContact O-CB 3.26Å; E50-A54 PolarHBondContact O-N 3.35Å; A54-R56 VanDerWaalsContact C-N 3.29Å; A54-R56 PolarHBondContact O-N 2.95Å; A54-E57 PolarHBondContact O-N 3.41Å; A54-E57 VanDerWaalsContact O-N 3.17Å; A54-F58 HydrophobicContact CB-CE2 4.19Å; A54-F58 WeakPolarHBondContact O-CD2 3.45Å; A54-F58 WeakPolarHBondContact O-CE2 3.34Å
55T52.1Low61.4Low89 Ų89114.9 Ų114.955%0.54656%0.562SS.*Hα-helixtrans-60-35179.5-51.30000112.9L51 Q52 E53L51-T55 WeakPolarHBondContact O-CB 3.25Å; L51-T55 PolarHBondContact O-N 3.2Å; L51-T55 PolarHBondContact O-OG1 3.44Å; Q52-T55 PolarHBondContact O-N 3.13Å; E53-T55 VanDerWaalsContact C-N 3.26Å; E53-T55 PolarHBondContact O-N 2.9Å
56R49.6Very low59.6Low190 Ų190118.6 Ų118.672%0.71758%0.579SS**Hα-helixtrans-74.5-25.8179-78.4178.3176174.91.9113.5Q52 E53 A54Q52-R56 PolarHBondContact O-N 2.81Å; Q52-R56 VanDerWaalsContact O-N 3.1Å; E53-R56 PolarHBondContact O-N 3.3Å; E53-R56 VanDerWaalsContact O-N 3.1Å; A54-R56 VanDerWaalsContact C-N 3.29Å; A54-R56 PolarHBondContact O-N 2.95Å
57E47.1Very low57.7Low168 Ų168116.7 Ų116.779%0.78558%0.578SS**Hα-helixtrans-81.3-11178.9-68.4-169169.300113.8E53 A54 Q59E53-E57 PolarHBondContact O-N 3.24Å; A54-E57 PolarHBondContact O-N 3.41Å; A54-E57 VanDerWaalsContact O-N 3.17Å; E57-Q59 PolarHBondContact O-N 3.14Å
58F47.7Very low55.9Low104 Ų104121.9 Ų121.946%0.45660%0.597SS.*  trans-78.259.4177.6-66.3-76.1000113A54 I60A54-F58 HydrophobicContact CB-CE2 4.19Å; A54-F58 WeakPolarHBondContact O-CD2 3.45Å; A54-F58 WeakPolarHBondContact O-CE2 3.34Å; F58-I60 VanDerWaalsContact C-N 3.29Å; F58-I60 HydrophobicContact CB-CG1 4.32Å; F58-I60 HydrophobicContact CD1-CD1 3.97Å; F58-I60 HydrophobicContact CD1-CG1 4.07Å; F58-I60 PolarHBondContact O-N 2.93Å
59Q41.6Very low54.5Low163 Ų163121.9 Ų121.976%0.76260%0.598SS**  trans-84.285146.6-71.5-173.521.100107.1E57 K61E57-Q59 PolarHBondContact O-N 3.14Å; Q59-K61 PolarHBondContact O-N 2.81Å
60I50.3Low53Low66 Ų66127.9 Ų127.934%0.33862%0.619SS.*  trans-70.4100.2175.8-57.7-168.9000107.7F58 E62 V146 Y246F58-I60 VanDerWaalsContact C-N 3.29Å; F58-I60 HydrophobicContact CB-CG1 4.32Å; F58-I60 HydrophobicContact CD1-CD1 3.97Å; F58-I60 HydrophobicContact CD1-CG1 4.07Å; F58-I60 PolarHBondContact O-N 2.93Å; I60-E62 HydrophobicContact CG2-CB 4.07Å; I60-E62 HydrophobicContact CG2-CG 3.64Å; I60-V146 HydrophobicContact CD1-CG1 3.59Å; I60-Y246 VanDerWaalsContact CD1-OH 3.31Å; I60-Y246 WeakPolarHBondContact CD1-OH 3.5Å
61K47Very low51.6Low193 Ų193130.7 Ų130.784%0.83964%0.636SS**  trans-9186.4162.5-75.7-174.4177.8-178.70107.3Q59Q59-K61 PolarHBondContact O-N 2.81Å
62E50.8Low50.6Low86 Ų86133 Ų13340%0.40265%0.648SS.*  trans-99125.3168.1-87.1-176.4-168.700109.3I60 I64 S94 V146I60-E62 HydrophobicContact CG2-CB 4.07Å; I60-E62 HydrophobicContact CG2-CG 3.64Å; E62-I64 PolarHBondContact O-N 2.88Å; E62-S94 WeakPolarHBondContact OE2-CB 3.49Å; E62-S94 PolarHBondContact OE2-OG 3.26Å; E62-V146 WeakPolarHBondContact OE2-CG2 3.5Å
63D47.5Very low49.7Very low166 Ų166131.9 Ų131.989%0.88865%0.652SS**  trans-71.1109166.4-74.4-41.6000107.9P65D63-P65 WeakPolarHBondContact O-CD 3.48Å
64I50.7Low49.2Very low101 Ų101132.7 Ų132.752%0.51867%0.665SS.*  trans-73.3117.5178.5-56.9162.8000107.5E62 V92 F148E62-I64 PolarHBondContact O-N 2.88Å; I64-V92 HydrophobicContact CG2-CG1 4.09Å; I64-F148 HydrophobicContact CD1-CE2 4.01Å; I64-F148 HydrophobicContact CD1-CZ 3.48Å; I64-F148 VanDerWaalsContact CD1-CZ 3.48Å; I64-F148 HydrophobicContact CG1-CZ 4.04Å
65P48.9Very low49.1Very low83 Ų83138.7 Ų138.754%0.53969%0.686SS.*  trans-66.2149.3-178.326.5-33.4000111.3D63 T67D63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-T67 PolarHBondContact O-N 2.71Å; P65-T67 PolarHBondContact O-OG1 2.66Å
66E49.6Very low49.1Very low205 Ų205140.1 Ų140.196%0.95870%0.695SS**  trans-54.7111.7172-73.6-172.9176.100110
67T51.9Low49.2Very low87 Ų87134.1 Ų134.153%0.53468%0.68SS.*  trans-113.4128.9-173.9-59.70000110.4P65 M69P65-T67 PolarHBondContact O-N 2.71Å; P65-T67 PolarHBondContact O-OG1 2.66Å; T67-M69 PolarHBondContact O-N 3.05Å
68K46.7Very low49.4Very low207 Ų207135.9 Ų135.990%0.969%0.688SS**  trans-73.3115.1174.8-67.7-178.1-178.6176.20109.5
69M50Low49.4Very low118 Ų118135.8 Ų135.858%0.58169%0.693SS**  trans-90.7141.8-175.3-64.7-178.217500112.4T67 F90T67-M69 PolarHBondContact O-N 3.05Å; M69-F90 HydrophobicContact CE-CB 4.47Å; M69-F90 HydrophobicContact CE-CD1 4.4Å; M69-F90 HydrophobicContact CE-CG 4.25Å; M69-F90 HydrophobicContact SD-CD1 3.6Å; M69-F90 VanDerWaalsContact SD-CD1 3.6Å; M69-F90 HydrophobicContact SD-CE1 3.72Å; M69-F90 HydrophobicContact SD-CG 4.02Å; M69-F90 HydrophobicContact SD-CZ 4.25Å
70K46.6Very low49.9Very low187 Ų187134.8 Ų134.881%0.81369%0.693SS**  trans-106120.5167.7-68.4179.7-177.21740108.4L72K70-L72 PolarHBondContact O-N 2.72Å
71L48.7Very low50Low146 Ų146136 Ų13676%0.76471%0.707SS**  trans-74111.7174.7-65.8168.6000108.5F90L71-F90 HydrophobicContact CD2-CE1 4.25Å
72L51Low50Low166 Ų166133.3 Ų133.387%0.86970%0.698SS**  trans-83.3-33.8-172.6-68.8171.2000113.2K70K70-L72 PolarHBondContact O-N 2.72Å
73S46.7Very low49.9Very low85 Ų85132.9 Ų132.959%0.59470%0.697SS**  trans-156.4149.6-179.253.80000111.7
74V51.3Low50.5Low135 Ų135127.7 Ų127.782%0.81868%0.675SS**  trans-111.2110.6166.3176.20000106.1
75E55Low51.4Low168 Ų168125.2 Ų125.279%0.78566%0.662SS**  trans-94.6111.3174-70.1177.6-168.800108.4
76T51.9Low52.8Low119 Ų119126 Ų12673%0.7366%0.661SS**  trans-81.1118.3167.142.20000108.1E78T76-E78 PolarHBondContact O-N 3.32Å
77P51.7Low54.1Low63 Ų63119.2 Ų119.241%0.40964%0.636SS.*  trans-63.2136.9-178.623.5-31.3000110.8N79 Q82 L83P77-N79 PolarHBondContact O-N 3.4Å; P77-Q82 HydrophobicContact CB-CB 4.17Å; P77-L83 HydrophobicContact CG-CD2 4.16Å
78E51.1Low55.1Low205 Ų205117.2 Ų117.296%0.95863%0.625SS**SBendtrans-75-4.1-178.3-64.8-175.3160.500113.6T76T76-E78 PolarHBondContact O-N 3.32Å
79N49.2Very low56.3Low102 Ų102111 Ų11155%0.54561%0.608SS.*SBendtrans-135.5128.6-170.8-139-11.9000111.9P77 S81 Q82P77-N79 PolarHBondContact O-N 3.4Å; N79-S81 PolarHBondContact O-N 3.39Å; N79-Q82 PolarHBondContact O-N 2.85Å; N79-Q82 VanDerWaalsContact O-N 3.13Å
80D51.8Low57.4Low142 Ų142107.1 Ų107.176%0.75959%0.588SS**G310 helixtrans-60.5-18.8-175.8-77.8-26.8000113.6L83D80-L83 HydrophobicContact CB-CD1 4.12Å; D80-L83 WeakPolarHBondContact O-CB 3.46Å; D80-L83 WeakPolarHBondContact O-CD1 3.36Å; D80-L83 WeakPolarHBondContact O-CG 3.44Å; D80-L83 WeakPolarHBondContact OD1-CD1 3.36Å
81S52.1Low58.9Low93 Ų93103.7 Ų103.765%0.6557%0.574SS**G310 helixtrans-81.1-11.1179.762.30000115N79N79-S81 PolarHBondContact O-N 3.39Å
82Q47.5Very low60.1Low136 Ų13698 Ų9864%0.63655%0.546SS*.G310 helixtrans-97.67.3174-68-175.2-1.100112.8P77 N79 S84P77-Q82 HydrophobicContact CB-CB 4.17Å; N79-Q82 PolarHBondContact O-N 2.85Å; N79-Q82 VanDerWaalsContact O-N 3.13Å; Q82-S84 PolarHBondContact O-N 2.72Å; Q82-S84 VanDerWaalsContact O-N 3.11Å
83L48.4Very low61.1Low76 Ų7692 Ų9240%0.39852%0.517SS..THydrogen-bonded Turntrans-75.18-175.9-72.6173.8000114.9P77 D80 K156P77-L83 HydrophobicContact CG-CD2 4.16Å; D80-L83 HydrophobicContact CB-CD1 4.12Å; D80-L83 WeakPolarHBondContact O-CB 3.46Å; D80-L83 WeakPolarHBondContact O-CD1 3.36Å; D80-L83 WeakPolarHBondContact O-CG 3.44Å; D80-L83 WeakPolarHBondContact OD1-CD1 3.36Å; L83-K156 WeakPolarHBondContact O-CD 3.44Å; L83-K156 WeakPolarHBondContact O-CE 3.33Å; L83-K156 PolarHBondContact O-NZ 3.28Å
84S59.3Low62.2Low58 Ų5889.1 Ų89.141%0.40650%0.497SS..THydrogen-bonded Turntrans-72.8-42.5-168.7-42.70000113.4Q82 K156Q82-S84 PolarHBondContact O-N 2.72Å; Q82-S84 VanDerWaalsContact O-N 3.11Å; S84-K156 WeakPolarHBondContact O-CB 3.49Å; S84-K156 WeakPolarHBondContact O-CD 3.29Å; S84-K156 WeakPolarHBondContact O-CG 3.49Å; S84-K156 PolarHBondContact O-N 3.41Å
85N70.4Confident63.1Low49 Ų4987.2 Ų87.226%0.26248%0.478SS..EExtended strand (participates in β ladder)trans-135.4153.9-174.2-64.2-23.2000111.1E153 V154 S155 K156N85-E153 HydrophobicContact CB-CG 3.6Å; N85-E153 VanDerWaalsContact CB-OE1 3.27Å; N85-E153 WeakPolarHBondContact CB-OE1 3.38Å; N85-E153 PolarHBondContact ND2-OE1 3Å; N85-V154 CarbonylContact C-O 3.45Å; N85-V154 WeakPolarHBondContact CA-O 3.32Å; N85-V154 WeakPolarHBondContact CB-O 3.39Å; N85-S155 VanDerWaalsContact OD1-CA 3.23Å; N85-S155 WeakPolarHBondContact OD1-CA 3.4Å; N85-S155 PolarHBondContact OD1-OG 3.48Å; N85-K156 PolarHBondContact OD1-N 2.92Å
86I77.3Confident63.9Low100 Ų10079.5 Ų79.551%0.51344%0.443SS..EExtended strand (participates in β ladder)trans-91.1123.9172.7-59172.3000106.7E153 V154I86-E153 CarbonylContact O-C 3.47Å; I86-E153 WeakPolarHBondContact O-CA 3.34Å; I86-V154 HydrophobicContact CB-CB 4.38Å; I86-V154 PolarHBondContact N-O 2.91Å; I86-V154 PolarHBondContact O-N 3.4Å
87S78.3Confident65Low61 Ų6176.9 Ų76.943%0.42743%0.427SS..EExtended strand (participates in β ladder)trans-118.1148.6176.370.40000112.3Y151 I152S87-Y151 VanDerWaalsContact CB-CZ 3.41Å; S87-Y151 WeakPolarHBondContact CB-OH 3.43Å; S87-Y151 PolarHBondContact OG-OH 3.38Å; S87-I152 CarbonylContact C-O 3.59Å; S87-I152 VanDerWaalsContact CA-O 3.22Å; S87-I152 WeakPolarHBondContact CA-O 3.41Å
88C71.3Confident66.4Low46 Ų4676 Ų7631%0.31142%0.416SS..EExtended strand (participates in β ladder)trans-140.8146.6169.752.40000109.5F90 I152C88-F90 HydrophobicContact CB-CE2 3.88Å; C88-F90 HydrophobicContact CB-CZ 3.68Å; C88-F90 WeakPolarHBondContact SG-CE2 3.49Å; C88-F90 WeakPolarHBondContact SG-CZ 3.33Å; C88-I152 PolarHBondContact N-O 2.88Å; C88-I152 PolarHBondContact O-N 3.37Å
89S73.6Confident68.1Low76 Ų7671.9 Ų71.953%0.53140%0.397SS..EExtended strand (participates in β ladder)trans-126.3134.2179.573.30000110.3V150S89-V150 CarbonylContact C-O 3.53Å; S89-V150 WeakPolarHBondContact CA-O 3.24Å
90F72.2Confident69.8Low37 Ų3767 Ų6716%0.16237%0.371CS..EExtended strand (participates in β ladder)trans-125.8136.6-178.9-48.3-85000109.2M69 L71 C88 Q149 V150 I152M69-F90 HydrophobicContact CE-CB 4.47Å; M69-F90 HydrophobicContact CE-CD1 4.4Å; M69-F90 HydrophobicContact CE-CG 4.25Å; M69-F90 HydrophobicContact SD-CD1 3.6Å; M69-F90 VanDerWaalsContact SD-CD1 3.6Å; M69-F90 HydrophobicContact SD-CE1 3.72Å; M69-F90 HydrophobicContact SD-CG 4.02Å; M69-F90 HydrophobicContact SD-CZ 4.25Å; L71-F90 HydrophobicContact CD2-CE1 4.25Å; C88-F90 HydrophobicContact CB-CE2 3.88Å; C88-F90 HydrophobicContact CB-CZ 3.68Å; C88-F90 WeakPolarHBondContact SG-CE2 3.49Å; C88-F90 WeakPolarHBondContact SG-CZ 3.33Å; F90-Q149 CarbonylContact O-C 3.54Å; F90-Q149 WeakPolarHBondContact O-CA 3.47Å; F90-V150 PolarHBondContact N-O 2.72Å; F90-V150 PolarHBondContact O-N 2.87Å; F90-I152 HydrophobicContact CD2-CD1 4.23Å; F90-I152 HydrophobicContact CD2-CG1 4.41Å; F90-I152 HydrophobicContact CE2-CD1 3.75Å; F90-I152 HydrophobicContact CE2-CG1 4.08Å
91Q78.1Confident71.6Confident114 Ų11464 Ų6453%0.53335%0.352SS..EExtended strand (participates in β ladder)trans-90.4129.5170.2-176171.4-43.700109R147 Q149Q91-R147 HydrophobicContact CG-CG 4.28Å; Q91-Q149 HydrophobicContact CB-CG 4.48Å
92V73.3Confident73.4Confident28 Ų2865.1 Ų65.117%0.1735%0.345CS..EExtended strand (participates in β ladder)trans-119.3125.2176.1-177.20000107.5I64 R147 F148 V150I64-V92 HydrophobicContact CG2-CG1 4.09Å; V92-R147 CarbonylContact O-C 3.52Å; V92-R147 WeakPolarHBondContact O-CA 3.3Å; V92-F148 HydrophobicContact CB-CD2 4.02Å; V92-F148 HydrophobicContact CB-CE1 4.2Å; V92-F148 HydrophobicContact CB-CE2 3.54Å; V92-F148 HydrophobicContact CB-CZ 3.62Å; V92-F148 HydrophobicContact CG1-CE1 4.02Å; V92-F148 HydrophobicContact CG1-CE2 3.9Å; V92-F148 HydrophobicContact CG1-CZ 3.47Å; V92-F148 VanDerWaalsContact CG1-CZ 3.47Å; V92-F148 HydrophobicContact CG2-CD2 4.44Å; V92-F148 HydrophobicContact CG2-CE2 3.86Å; V92-F148 HydrophobicContact CG2-CZ 4.3Å; V92-F148 PolarHBondContact N-O 2.97Å; V92-F148 PolarHBondContact O-N 3.17Å; V92-V150 HydrophobicContact CG2-CG2 3.87Å
93S72.9Confident75.3Confident38 Ų3858.7 Ų58.727%0.26632%0.316SS..EExtended strand (participates in β ladder)trans-115.4135171.7-63.90000108R147 E307S93-R147 WeakPolarHBondContact OG-CD 3.26Å; S93-E307 PolarHBondContact OG-O 3.47Å; S93-E307 VanDerWaalsContact OG-O 3.11Å
94S70.5Confident77.4Confident25 Ų2556.7 Ų56.718%0.17530%0.304CS..  trans-68.6140.4173.3-169.10000110.3E62 V96 V146E62-S94 WeakPolarHBondContact OE2-CB 3.49Å; E62-S94 PolarHBondContact OE2-OG 3.26Å; S94-V96 PolarHBondContact O-N 3.47Å; S94-V146 PolarHBondContact N-O 2.98Å
95K69.8Low78.9Confident95 Ų9553.9 Ų53.941%0.41329%0.285SS..  trans-79.6112.8175.2-68.8-167.5-178.9-140.50108.2P97 Y304 E306K95-P97 VanDerWaalsContact O-CD 3.29Å; K95-P97 WeakPolarHBondContact O-CD 3.38Å; K95-Y304 HydrophobicContact CB-CD1 3.92Å; K95-Y304 HydrophobicContact CB-CG 4.42Å; K95-E306 WeakPolarHBondContact CE-OE1 3.5Å; K95-E306 HydrophobicContact CG-CG 4.38Å; K95-E306 IonicContact NZ-OE1 2.71Å; K95-E306 PolarHBondContact NZ-OE1 2.93Å
96V70.7Confident79.9Confident7 Ų751.9 Ų51.94%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-77.9118.6-178.1-176.60000108.6S94 N143 F249 F305S94-V96 PolarHBondContact O-N 3.47Å; V96-N143 HydrophobicContact CG1-CB 4.27Å; V96-F249 HydrophobicContact CG2-CE2 3.76Å; V96-F249 HydrophobicContact CG2-CZ 3.95Å; V96-F305 HydrophobicContact CB-CE1 3.85Å; V96-F305 HydrophobicContact CB-CE2 4.32Å; V96-F305 HydrophobicContact CB-CZ 3.72Å; V96-F305 HydrophobicContact CG1-CE1 3.99Å; V96-F305 HydrophobicContact CG1-CZ 3.85Å; V96-F305 PolarHBondContact N-O 2.85Å; V96-F305 VanDerWaalsContact O-CD1 3.27Å; V96-F305 WeakPolarHBondContact O-CD1 3.36Å; V96-F305 VanDerWaalsContact O-CE1 3.25Å; V96-F305 WeakPolarHBondContact O-CE1 3.41Å
97P75.3Confident80.6Confident63 Ų6347.1 Ų47.141%0.40925%0.25SC..EExtended strand (participates in β ladder)trans-72.3136175.529.4-32.8000109.9K95 I302 Y304K95-P97 VanDerWaalsContact O-CD 3.29Å; K95-P97 WeakPolarHBondContact O-CD 3.38Å; P97-I302 HydrophobicContact CB-CG2 3.67Å; P97-Y304 HydrophobicContact CB-CD1 4.24Å; P97-Y304 HydrophobicContact CB-CE1 3.93Å
98Y81.3Confident81.2Confident45 Ų4544.3 Ų44.318%0.17623%0.23CC..EExtended strand (participates in β ladder)trans-128.9129.3171-171.5-88.5000109.7L100 L106 V140 L258 I302 A303Y98-L100 HydrophobicContact CD1-CD2 4.23Å; Y98-L100 HydrophobicContact CD1-CG 4.35Å; Y98-L100 HydrophobicContact CE1-CD2 4.29Å; Y98-L100 PolarHBondContact O-N 3.41Å; Y98-L106 HydrophobicContact CD1-CD1 3.83Å; Y98-L106 HydrophobicContact CD1-CG 4.45Å; Y98-L106 HydrophobicContact CG-CD1 4.12Å; Y98-V140 HydrophobicContact CD2-CG1 3.79Å; Y98-V140 HydrophobicContact CE2-CG1 3.92Å; Y98-V140 HydrophobicContact CG-CG1 4.5Å; Y98-L258 HydrophobicContact CE1-CD1 3.96Å; Y98-L258 WeakPolarHBondContact OH-CD2 3.38Å; Y98-I302 WeakPolarHBondContact O-CA 3.32Å; Y98-A303 PolarHBondContact N-O 3.21Å; Y98-A303 PolarHBondContact O-N 3.39Å
99E86.1Confident82.2Confident118 Ų11842.1 Ų42.155%0.55122%0.215SC*.EExtended strand (participates in β ladder)trans-8299.4176.2-165-172.1157.900109.7Q101E99-Q101 VanDerWaalsContact CD-NE2 3.25Å; E99-Q101 PolarHBondContact O-N 3.48Å; E99-Q101 PolarHBondContact OE1-NE2 2.99Å
100L86.7Confident82.9Confident0 Ų042.9 Ų42.90%021%0.21CC..EExtended strand (participates in β ladder)trans-67.9120.2173.1-82.7177.1000109Y98 Q104 L106 L258 K294 P300 H301 A303Y98-L100 HydrophobicContact CD1-CD2 4.23Å; Y98-L100 HydrophobicContact CD1-CG 4.35Å; Y98-L100 HydrophobicContact CE1-CD2 4.29Å; Y98-L100 PolarHBondContact O-N 3.41Å; L100-Q104 HydrophobicContact CD2-CB 3.89Å; L100-L106 HydrophobicContact CD1-CD1 4.34Å; L100-L106 HydrophobicContact CD2-CD1 3.92Å; L100-L106 HydrophobicContact CD2-CG 3.73Å; L100-L106 HydrophobicContact CG-CD1 4Å; L100-L106 HydrophobicContact CG-CG 4.33Å; L100-L258 HydrophobicContact CD2-CD1 4.28Å; L100-K294 HydrophobicContact CD1-CB 4.23Å; L100-P300 WeakPolarHBondContact O-CA 3.43Å; L100-P300 WeakPolarHBondContact O-CB 3.39Å; L100-H301 PolarHBondContact N-O 2.91Å; L100-H301 PolarHBondContact O-N 3.12Å; L100-A303 HydrophobicContact CD1-CB 3.58Å; L100-A303 HydrophobicContact CG-CB 3.92Å
101Q89.3Confident83.7Confident79 Ų7947.6 Ų47.637%0.36923%0.231SC..PPolyproline II helixtrans-82.2161.3171.8-56.9-60.6-51.100110.5E99 G103 Q104E99-Q101 VanDerWaalsContact CD-NE2 3.25Å; E99-Q101 PolarHBondContact O-N 3.48Å; E99-Q101 PolarHBondContact OE1-NE2 2.99Å; Q101-G103 PolarHBondContact O-N 3.07Å; Q101-Q104 HydrophobicContact CB-CG 4.14Å; Q101-Q104 WeakPolarHBondContact O-CB 3.49Å; Q101-Q104 WeakPolarHBondContact O-CG 3.25Å; Q101-Q104 PolarHBondContact O-N 2.88Å
102K89.6Confident84.3Confident116 Ų11645.8 Ų45.850%0.50422%0.222SC..THydrogen-bonded Turntrans-53.6130.9176.2-171.1-177-177.7172.60111.3L297 D298K102-L297 WeakPolarHBondContact CE-O 3.49Å; K102-L297 VanDerWaalsContact CG-O 3.23Å; K102-L297 WeakPolarHBondContact CG-O 3.38Å; K102-D298 WeakPolarHBondContact CD-O 3.46Å
103G88.2Confident85.1Confident1 Ų151.1 Ų51.11%0.0125%0.246CC..THydrogen-bonded Turntrans77.820.2-178.300000114.1Q101 M262 S296Q101-G103 PolarHBondContact O-N 3.07Å; G103-M262 WeakPolarHBondContact O-CB 3.41Å; G103-M262 PolarHBondContact O-N 3.23Å; G103-S296 WeakPolarHBondContact CA-O 3.45Å; G103-S296 PolarHBondContact N-O 3.2Å
104Q92.1Very high86.1Confident34 Ų3450.2 Ų50.216%0.15924%0.238CC..EExtended strand (participates in β ladder)trans-116.6155.4175.5-58.3-173.8-30.400112L100 Q101 L258 L259 T260 C295 S296L100-Q104 HydrophobicContact CD2-CB 3.89Å; Q101-Q104 HydrophobicContact CB-CG 4.14Å; Q101-Q104 WeakPolarHBondContact O-CB 3.49Å; Q101-Q104 WeakPolarHBondContact O-CG 3.25Å; Q101-Q104 PolarHBondContact O-N 2.88Å; Q104-L258 HydrophobicContact CB-CD1 4.17Å; Q104-L259 CarbonylContact C-O 3.55Å; Q104-L259 VanDerWaalsContact CA-O 3.28Å; Q104-L259 WeakPolarHBondContact CA-O 3.29Å; Q104-T260 HydrophobicContact CG-CG2 4.2Å; Q104-C295 WeakPolarHBondContact O-CA 3.29Å; Q104-S296 PolarHBondContact N-O 3.16Å; Q104-S296 PolarHBondContact O-N 3.31Å
105A90.9Very high87.1Confident0 Ų049.2 Ų49.20%023%0.231CC..EExtended strand (participates in β ladder)trans-143.6148.317300000110.1L259 M262 I276 K294 C295A105-L259 HydrophobicContact CB-CB 4.22Å; A105-L259 PolarHBondContact N-O 2.69Å; A105-L259 WeakPolarHBondContact O-CB 3.31Å; A105-L259 PolarHBondContact O-N 3.17Å; A105-M262 HydrophobicContact CB-CE 3.31Å; A105-M262 HydrophobicContact CB-SD 3.98Å; A105-I276 HydrophobicContact CB-CD1 4.03Å; A105-K294 CarbonylContact C-O 3.44Å; A105-K294 WeakPolarHBondContact CA-O 3.27Å; A105-K294 WeakPolarHBondContact CB-O 3.16Å; A105-C295 HydrophobicContact CB-CB 3.49Å; A105-C295 VanDerWaalsContact CB-CB 3.49Å
106L91.2Very high88.1Confident6 Ų649.5 Ų49.53%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-105.4136.3168.7-73.3162.7000108.5Y98 L100 V140 T256 V257 L258 V293 K294 A303Y98-L106 HydrophobicContact CD1-CD1 3.83Å; Y98-L106 HydrophobicContact CD1-CG 4.45Å; Y98-L106 HydrophobicContact CG-CD1 4.12Å; L100-L106 HydrophobicContact CD1-CD1 4.34Å; L100-L106 HydrophobicContact CD2-CD1 3.92Å; L100-L106 HydrophobicContact CD2-CG 3.73Å; L100-L106 HydrophobicContact CG-CD1 4Å; L100-L106 HydrophobicContact CG-CG 4.33Å; L106-V140 HydrophobicContact CD2-CG1 4.2Å; L106-V140 HydrophobicContact CD2-CG2 3.46Å; L106-V140 VanDerWaalsContact CD2-CG2 3.46Å; L106-T256 HydrophobicContact CB-CG2 4.23Å; L106-T256 HydrophobicContact CD2-CG2 3.79Å; L106-V257 WeakPolarHBondContact CA-O 3.13Å; L106-L258 HydrophobicContact CD2-CB 4.46Å; L106-L258 HydrophobicContact CD2-CD1 4.15Å; L106-V293 WeakPolarHBondContact O-CA 3.02Å; L106-K294 PolarHBondContact N-O 2.85Å; L106-K294 PolarHBondContact O-N 3.36Å; L106-A303 HydrophobicContact CD1-CB 3.81Å
107I91.7Very high89.1Confident0 Ų053.2 Ų53.20%025%0.254CS..EExtended strand (participates in β ladder)trans-126.1125.5171.9-179.3163000108.9F109 T256 V257 L259 I276 F280 V290 V293I107-F109 HydrophobicContact CB-CE2 4.46Å; I107-F109 HydrophobicContact CD1-CE1 3.9Å; I107-F109 HydrophobicContact CD1-CE2 4.25Å; I107-F109 HydrophobicContact CD1-CZ 3.57Å; I107-F109 HydrophobicContact CG1-CD2 4.49Å; I107-F109 HydrophobicContact CG1-CE1 4.17Å; I107-F109 HydrophobicContact CG1-CE2 3.91Å; I107-F109 HydrophobicContact CG1-CZ 3.73Å; I107-F109 HydrophobicContact CG2-CE2 3.83Å; I107-F109 HydrophobicContact CG2-CZ 4.1Å; I107-T256 CarbonylContact O-C 3.59Å; I107-T256 WeakPolarHBondContact O-CA 3.41Å; I107-V257 HydrophobicContact CG2-CB 3.85Å; I107-V257 PolarHBondContact N-O 3.5Å; I107-V257 PolarHBondContact O-N 2.86Å; I107-L259 HydrophobicContact CB-CD1 4.4Å; I107-L259 HydrophobicContact CG2-CD1 3.88Å; I107-L259 HydrophobicContact CG2-CD2 4.45Å; I107-L259 HydrophobicContact CG2-CG 4Å; I107-I276 HydrophobicContact CD1-CG2 4.19Å; I107-F280 HydrophobicContact CD1-CB 3.46Å; I107-F280 VanDerWaalsContact CD1-CB 3.46Å; I107-F280 HydrophobicContact CD1-CD2 3.79Å; I107-F280 HydrophobicContact CD1-CG 3.8Å; I107-V290 HydrophobicContact CD1-CG1 3.98Å; I107-V290 HydrophobicContact CD1-CG2 3.94Å; I107-V290 HydrophobicContact CG1-CG1 3.86Å; I107-V290 HydrophobicContact CG1-CG2 4.48Å; I107-V293 HydrophobicContact CB-CG2 4.49Å; I107-V293 HydrophobicContact CD1-CG2 4.08Å; I107-V293 HydrophobicContact CG1-CG2 4.03Å
108T90.8Very high89.9Confident3 Ų350.2 Ų50.22%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-108.4129.7177.6-49.70000109.2R255 T256 D291 V292T108-R255 WeakPolarHBondContact CA-O 3.18Å; T108-R255 HydrophobicContact CG2-CB 4.36Å; T108-T256 PolarHBondContact OG1-OG1 3.24Å; T108-D291 HydrophobicContact CG2-CB 4.49Å; T108-D291 PolarHBondContact O-N 2.86Å; T108-V292 HydrophobicContact CG2-CG1 4.48Å; T108-V292 PolarHBondContact N-O 3.01Å; T108-V292 PolarHBondContact O-N 3.42Å; T108-V292 WeakPolarHBondContact OG1-CG1 3.38Å
109F91.3Very high90.5Very high0 Ų050 Ų500%024%0.238CC..EExtended strand (participates in β ladder)trans-103153.2179.9-64.2-82.9000111.6I107 K111 V114 A115 V118 R255 V257 F280 E289 V290I107-F109 HydrophobicContact CB-CE2 4.46Å; I107-F109 HydrophobicContact CD1-CE1 3.9Å; I107-F109 HydrophobicContact CD1-CE2 4.25Å; I107-F109 HydrophobicContact CD1-CZ 3.57Å; I107-F109 HydrophobicContact CG1-CD2 4.49Å; I107-F109 HydrophobicContact CG1-CE1 4.17Å; I107-F109 HydrophobicContact CG1-CE2 3.91Å; I107-F109 HydrophobicContact CG1-CZ 3.73Å; I107-F109 HydrophobicContact CG2-CE2 3.83Å; I107-F109 HydrophobicContact CG2-CZ 4.1Å; F109-K111 VanDerWaalsContact C-N 3.26Å; F109-K111 PolarHBondContact O-N 2.97Å; F109-V114 HydrophobicContact CB-CB 4.16Å; F109-V114 HydrophobicContact CB-CG1 4.21Å; F109-V114 HydrophobicContact CD1-CB 4.19Å; F109-V114 HydrophobicContact CD1-CG1 3.33Å; F109-V114 HydrophobicContact CD2-CG1 4.36Å; F109-V114 HydrophobicContact CE1-CG1 3.66Å; F109-V114 HydrophobicContact CG-CB 4.15Å; F109-V114 HydrophobicContact CG-CG1 3.71Å; F109-V114 HydrophobicContact CZ-CG1 4.31Å; F109-A115 HydrophobicContact CD2-CB 3.8Å; F109-A115 HydrophobicContact CE2-CB 4.49Å; F109-V118 HydrophobicContact CE1-CG2 4.48Å; F109-V118 HydrophobicContact CE2-CB 4.41Å; F109-V118 HydrophobicContact CE2-CG2 4.14Å; F109-V118 HydrophobicContact CZ-CB 4.46Å; F109-V118 HydrophobicContact CZ-CG2 3.78Å; F109-R255 PolarHBondContact N-O 3.29Å; F109-R255 VanDerWaalsContact O-CZ 3.28Å; F109-R255 PolarHBondContact O-NE 2.74Å; F109-R255 PolarHBondContact O-NH2 3.16Å; F109-V257 HydrophobicContact CD2-CG2 4.32Å; F109-V257 HydrophobicContact CE2-CB 4.44Å; F109-V257 HydrophobicContact CE2-CG2 3.92Å; F109-F280 HydrophobicContact CE1-CB 3.98Å; F109-F280 HydrophobicContact CZ-CB 3.98Å; F109-F280 HydrophobicContact CZ-CD1 4.36Å; F109-F280 HydrophobicContact CZ-CG 4.32Å; F109-E289 WeakPolarHBondContact CA-O 3.29Å; F109-V290 HydrophobicContact CD1-CG2 3.97Å; F109-V290 HydrophobicContact CE1-CG2 3.79Å
110E88.7Confident90.7Very high92 Ų9248.7 Ų48.743%0.4324%0.241SC..SBendtrans-62.9-34.2173-71.7-156.9169.200112.6R255 E289 D291E110-R255 VanDerWaalsContact CA-NH2 3.32Å; E110-R255 PolarHBondContact O-NE 3.24Å; E110-R255 PolarHBondContact O-NH2 2.98Å; E110-E289 HydrophobicContact CB-CB 4.22Å; E110-E289 VanDerWaalsContact CD-CD 3.42Å; E110-E289 VanDerWaalsContact CD-CG 3.48Å; E110-E289 HydrophobicContact CG-CB 4.06Å; E110-E289 HydrophobicContact CG-CG 3.84Å; E110-E289 PolarHBondContact N-O 3.31Å; E110-E289 VanDerWaalsContact OE2-CD 3.31Å; E110-D291 HydrophobicContact CG-CB 4.47Å
111K88.8Confident90.9Very high135 Ų13552.9 Ų52.959%0.58726%0.262SS*.SBendtrans-115.7133.6-177.2-63.7-178.7-178178.60111.7F109 E113 V114F109-K111 VanDerWaalsContact C-N 3.26Å; F109-K111 PolarHBondContact O-N 2.97Å; K111-E113 VanDerWaalsContact C-N 3.26Å; K111-E113 PolarHBondContact O-N 3.4Å; K111-V114 HydrophobicContact CB-CG2 4Å; K111-V114 WeakPolarHBondContact O-CB 3.21Å; K111-V114 PolarHBondContact O-N 2.83Å
112E90.9Very high90.9Very high77 Ų7751.7 Ų51.736%0.3626%0.262SS..Hα-helixtrans-56.4-40.2174.8132.9174.5-169.600112.1V114 A115 Q116 K254 R255E112-V114 PolarHBondContact O-N 3.41Å; E112-A115 PolarHBondContact O-N 3.09Å; E112-A115 VanDerWaalsContact O-N 3.17Å; E112-Q116 PolarHBondContact O-N 3Å; E112-Q116 VanDerWaalsContact O-N 3.08Å; E112-Q116 PolarHBondContact OE1-NE2 2.91Å; E112-Q116 VanDerWaalsContact OE1-NE2 3.09Å; E112-K254 WeakPolarHBondContact CA-O 3.02Å; E112-K254 HydrophobicContact CB-CB 4.14Å; E112-K254 HydrophobicContact CG-CB 4.26Å; E112-K254 VanDerWaalsContact OE2-CD 3.31Å; E112-K254 WeakPolarHBondContact OE2-CD 3.36Å; E112-K254 IonicContact OE2-NZ 2.66Å; E112-R255 HydrophobicContact CB-CG 4.18Å
113E91.2Very high91.1Very high140 Ų14051.8 Ų51.865%0.65426%0.263SS*.Hα-helixtrans-59-34.7-178.6-59.6177.4-167.300112.1K111 N117K111-E113 VanDerWaalsContact C-N 3.26Å; K111-E113 PolarHBondContact O-N 3.4Å; E113-N117 PolarHBondContact O-N 3.13Å; E113-N117 VanDerWaalsContact O-N 3.07Å; E113-N117 PolarHBondContact O-ND2 3.29Å; E113-N117 VanDerWaalsContact O-ND2 3.13Å
114V92.5Very high91.2Very high18 Ų1852 Ų5211%0.10926%0.264CS..Hα-helixtrans-69.8-45.8179.6178.10000110.5F109 K111 E112 Q116 N117 V118 G287 G288F109-V114 HydrophobicContact CB-CB 4.16Å; F109-V114 HydrophobicContact CB-CG1 4.21Å; F109-V114 HydrophobicContact CD1-CB 4.19Å; F109-V114 HydrophobicContact CD1-CG1 3.33Å; F109-V114 HydrophobicContact CD2-CG1 4.36Å; F109-V114 HydrophobicContact CE1-CG1 3.66Å; F109-V114 HydrophobicContact CG-CB 4.15Å; F109-V114 HydrophobicContact CG-CG1 3.71Å; F109-V114 HydrophobicContact CZ-CG1 4.31Å; K111-V114 HydrophobicContact CB-CG2 4Å; K111-V114 WeakPolarHBondContact O-CB 3.21Å; K111-V114 PolarHBondContact O-N 2.83Å; E112-V114 PolarHBondContact O-N 3.41Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.42Å; V114-N117 WeakPolarHBondContact O-CB 3.3Å; V114-N117 PolarHBondContact O-N 3.46Å; V114-V118 WeakPolarHBondContact O-CG2 3.35Å; V114-V118 PolarHBondContact O-N 2.97Å; V114-G287 VanDerWaalsContact CG1-C 3.5Å; V114-G288 VanDerWaalsContact CG1-N 3.32Å
115A91.5Very high91Very high4 Ų456.7 Ų56.73%0.03329%0.285CS..Hα-helixtrans-60.6-4317800000111.6F109 E112 N117 V118 V119 K254 V257F109-A115 HydrophobicContact CD2-CB 3.8Å; F109-A115 HydrophobicContact CE2-CB 4.49Å; E112-A115 PolarHBondContact O-N 3.09Å; E112-A115 VanDerWaalsContact O-N 3.17Å; A115-N117 PolarHBondContact O-N 3.01Å; A115-V118 PolarHBondContact O-N 3.22Å; A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 3.13Å; A115-K254 VanDerWaalsContact CB-O 3.3Å; A115-K254 WeakPolarHBondContact CB-O 3.35Å; A115-V257 HydrophobicContact CB-CG2 3.77Å
116Q91.2Very high90.8Very high102 Ų10256.7 Ų56.748%0.47729%0.286SS..Hα-helixtrans-62.2-42.2176.5-69.6-177.97.100112.1E112 V114 V119 S120E112-Q116 PolarHBondContact O-N 3Å; E112-Q116 VanDerWaalsContact O-N 3.08Å; E112-Q116 PolarHBondContact OE1-NE2 2.91Å; E112-Q116 VanDerWaalsContact OE1-NE2 3.09Å; V114-Q116 VanDerWaalsContact C-N 3.32Å; V114-Q116 PolarHBondContact O-N 3.42Å; Q116-V119 PolarHBondContact O-N 3.02Å; Q116-S120 WeakPolarHBondContact O-CB 3.48Å; Q116-S120 PolarHBondContact O-N 2.93Å
117N92.1Very high90.4Very high85 Ų8564.2 Ų64.246%0.45531%0.313SS..Hα-helixtrans-60.8-47.4175.4-71.5-25.2000111.6E113 V114 A115 V119 S120 M121E113-N117 PolarHBondContact O-N 3.13Å; E113-N117 VanDerWaalsContact O-N 3.07Å; E113-N117 PolarHBondContact O-ND2 3.29Å; E113-N117 VanDerWaalsContact O-ND2 3.13Å; V114-N117 WeakPolarHBondContact O-CB 3.3Å; V114-N117 PolarHBondContact O-N 3.46Å; A115-N117 PolarHBondContact O-N 3.01Å; N117-V119 VanDerWaalsContact C-N 3.33Å; N117-V119 PolarHBondContact O-N 3.4Å; N117-S120 PolarHBondContact O-N 2.89Å; N117-S120 VanDerWaalsContact O-N 3.17Å; N117-S120 PolarHBondContact O-OG 3.5Å; N117-M121 WeakPolarHBondContact O-CG 3.5Å; N117-M121 PolarHBondContact O-N 2.94Å
118V92.3Very high89.8Confident0 Ų064.8 Ų64.80%032%0.317CS..Hα-helixtrans-60.3-42.6178.8171.80000111.7F109 V114 A115 M121 H124 A137 V257 F280 G286F109-V118 HydrophobicContact CE1-CG2 4.48Å; F109-V118 HydrophobicContact CE2-CB 4.41Å; F109-V118 HydrophobicContact CE2-CG2 4.14Å; F109-V118 HydrophobicContact CZ-CB 4.46Å; F109-V118 HydrophobicContact CZ-CG2 3.78Å; V114-V118 WeakPolarHBondContact O-CG2 3.35Å; V114-V118 PolarHBondContact O-N 2.97Å; A115-V118 PolarHBondContact O-N 3.22Å; V118-M121 PolarHBondContact O-N 2.93Å; V118-H124 PolarHBondContact O-NE2 3.2Å; V118-A137 HydrophobicContact CG1-CB 3.89Å; V118-A137 WeakPolarHBondContact O-CB 3.31Å; V118-V257 HydrophobicContact CG1-CG1 4.13Å; V118-V257 HydrophobicContact CG1-CG2 4.48Å; V118-F280 HydrophobicContact CG1-CD1 3.95Å; V118-F280 HydrophobicContact CG1-CE1 3.58Å; V118-F280 HydrophobicContact CG1-CZ 4.44Å; V118-F280 HydrophobicContact CG2-CD1 3.96Å; V118-F280 HydrophobicContact CG2-CE1 4.34Å; V118-G286 WeakPolarHBondContact CG2-O 3.42Å
119V92.4Very high88.9Confident41 Ų4171 Ų7125%0.24834%0.343CS..Hα-helixtrans-64.9-42.2175.4172.20000111.3A115 Q116 N117 M121 S122 V257A115-V119 WeakPolarHBondContact O-CG2 3.35Å; A115-V119 PolarHBondContact O-N 3.13Å; Q116-V119 PolarHBondContact O-N 3.02Å; N117-V119 VanDerWaalsContact C-N 3.33Å; N117-V119 PolarHBondContact O-N 3.4Å; V119-M121 VanDerWaalsContact C-N 3.28Å; V119-M121 PolarHBondContact O-N 2.95Å; V119-S122 WeakPolarHBondContact O-CA 3.38Å; V119-S122 PolarHBondContact O-N 2.78Å; V119-V257 HydrophobicContact CG2-CB 4.31Å; V119-V257 HydrophobicContact CG2-CG1 3.75Å; V119-V257 HydrophobicContact CG2-CG2 3.73Å
120S91.3Very high88Confident89 Ų8978.1 Ų78.162%0.62238%0.381SS*.Hα-helixtrans-62.6-33.6-179.9780000113.2Q116 N117 S122Q116-S120 WeakPolarHBondContact O-CB 3.48Å; Q116-S120 PolarHBondContact O-N 2.93Å; N117-S120 PolarHBondContact O-N 2.89Å; N117-S120 VanDerWaalsContact O-N 3.17Å; N117-S120 PolarHBondContact O-OG 3.5Å; S120-S122 PolarHBondContact O-N 3.34Å
121M90.1Very high87.4Confident88 Ų8878.4 Ų78.443%0.43339%0.389SS..Hα-helixtrans-71.3-20.6176-71.3-176.266.300112.5N117 V118 V119 K123 N285N117-M121 WeakPolarHBondContact O-CG 3.5Å; N117-M121 PolarHBondContact O-N 2.94Å; V118-M121 PolarHBondContact O-N 2.93Å; V119-M121 VanDerWaalsContact C-N 3.28Å; V119-M121 PolarHBondContact O-N 2.95Å; M121-K123 PolarHBondContact O-N 3.47Å; M121-N285 VanDerWaalsContact SD-C 3.51Å
122S90.8Very high87.1Confident54 Ų5477.2 Ų77.238%0.37839%0.389SS..  trans59.2-58.9178-171.70000115.4V119 S120 T136 A137V119-S122 WeakPolarHBondContact O-CA 3.38Å; V119-S122 PolarHBondContact O-N 2.78Å; S120-S122 PolarHBondContact O-N 3.34Å; S122-T136 CarbonylContact O-C 3.55Å; S122-T136 VanDerWaalsContact O-CA 3.31Å; S122-T136 WeakPolarHBondContact O-CA 3.48Å; S122-A137 PolarHBondContact O-N 3.5Å
123K92.4Very high86.9Confident118 Ų11875 Ų7551%0.51338%0.38SS..EExtended strand (participates in β ladder)trans-109.2135.3-177.3-65.7-173171-1490111.5M121 E134M121-K123 PolarHBondContact O-N 3.47Å; K123-E134 IonicContact NZ-OE1 2.74Å; K123-E134 PolarHBondContact NZ-OE1 3.42Å; K123-E134 IonicContact NZ-OE2 2.77Å
124H91.1Very high86.9Confident7 Ų772.8 Ų72.83%0.03237%0.37CS..EExtended strand (participates in β ladder)trans-129.5138.5179.5-64.6-87.2000109.7V118 V135 F280 N285V118-H124 PolarHBondContact O-NE2 3.2Å; H124-V135 PolarHBondContact N-O 3.04Å; H124-V135 PolarHBondContact O-N 3.4Å; H124-F280 HydrophobicContact CB-CE1 4.29Å; H124-F280 HydrophobicContact CB-CZ 3.99Å; H124-F280 AromaticContact CD2-CE1 3.9Å; H124-F280 AromaticContact CE1-CE1 3.81Å; H124-F280 AromaticContact CG-CE1 3.68Å; H124-F280 AromaticContact CG-CZ 3.82Å; H124-F280 AromaticContact ND1-CE1 3.65Å; H124-F280 AromaticContact NE2-CE1 3.97Å; H124-N285 PolarHBondContact CE1-O 3.41Å; H124-N285 VanDerWaalsContact CE1-O 3.3Å
125Q88.5Confident86.8Confident131 Ų13172 Ų7261%0.61237%0.365SS*.EExtended strand (participates in β ladder)trans-100.793.5174.7-71.6-173.5-8.500109.4L133 H279Q125-L133 CarbonylContact C-O 3.56Å; Q125-L133 WeakPolarHBondContact CA-O 3.39Å; Q125-H279 PolarHBondContact O-CE1 2.96Å
126V86Confident86.9Confident1 Ų173.3 Ų73.31%0.00637%0.372CS..EExtended strand (participates in β ladder)trans-83.3120.8180-1730000108.5I128 L133 V135 H279 F280V126-I128 HydrophobicContact CG1-CD1 4.45Å; V126-I128 HydrophobicContact CG1-CG1 3.95Å; V126-I128 PolarHBondContact O-N 2.9Å; V126-L133 PolarHBondContact N-O 3.17Å; V126-L133 PolarHBondContact O-N 2.93Å; V126-V135 HydrophobicContact CB-CG2 4.2Å; V126-V135 HydrophobicContact CG2-CB 4.17Å; V126-V135 HydrophobicContact CG2-CG2 3.72Å; V126-H279 HydrophobicContact CG1-CB 4.11Å; V126-F280 HydrophobicContact CG2-CE2 4.36Å
127R81.9Confident87.1Confident163 Ų16368.6 Ų68.662%0.61535%0.351SS*.EExtended strand (participates in β ladder)trans-81.4107.3175-174.6176.1177.1172.42.8108.9K129R127-K129 WeakPolarHBondContact CG-O 3.48Å; R127-K129 PolarHBondContact NE-O 3.3Å; R127-K129 VanDerWaalsContact NE-O 3.15Å
128I79.6Confident87.1Confident13 Ų1369.4 Ų69.47%0.06735%0.35CS..EExtended strand (participates in β ladder)trans-107.1105.1174.6-59.1-171.7000107V126 D130 V131 L133 I265 M267 V272 L275V126-I128 HydrophobicContact CG1-CD1 4.45Å; V126-I128 HydrophobicContact CG1-CG1 3.95Å; V126-I128 PolarHBondContact O-N 2.9Å; I128-D130 PolarHBondContact O-N 3.08Å; I128-D130 VanDerWaalsContact O-N 3.1Å; I128-V131 PolarHBondContact N-O 2.59Å; I128-V131 PolarHBondContact O-N 2.94Å; I128-L133 HydrophobicContact CD1-CB 4.38Å; I128-L133 HydrophobicContact CD1-CD2 3.54Å; I128-L133 HydrophobicContact CG1-CD2 4.49Å; I128-I265 HydrophobicContact CD1-CD1 3.71Å; I128-M267 HydrophobicContact CG2-SD 3.72Å; I128-V272 HydrophobicContact CD1-CG1 4.48Å; I128-L275 HydrophobicContact CB-CD1 4.38Å; I128-L275 HydrophobicContact CG1-CD1 4.43Å; I128-L275 HydrophobicContact CG2-CD1 3.86Å
129K72.8Confident87Confident133 Ų13372.5 Ų72.558%0.57837%0.37SS*.THydrogen-bonded Turntrans54-109.8-169.5-63.1174.9171.4165.20111.8R127 M267R127-K129 WeakPolarHBondContact CG-O 3.48Å; R127-K129 PolarHBondContact NE-O 3.3Å; R127-K129 VanDerWaalsContact NE-O 3.15Å; K129-M267 HydrophobicContact CD-CE 4.44Å; K129-M267 HydrophobicContact CD-SD 3.7Å; K129-M267 WeakPolarHBondContact CE-SD 3.42Å; K129-M267 HydrophobicContact CG-SD 4.05Å
130D71.4Confident86.7Confident149 Ų14970.6 Ų70.680%0.79736%0.359SS*.THydrogen-bonded Turntrans-106.95.7-177.8-62.9-50.4000113.4I128I128-D130 PolarHBondContact O-N 3.08Å; I128-D130 VanDerWaalsContact O-N 3.1Å
131V77.3Confident86.2Confident98 Ų9870 Ų7059%0.59435%0.352SS*.EExtended strand (participates in β ladder)trans-110.2133.1178.2-175.10000109.5I128I128-V131 PolarHBondContact N-O 2.59Å; I128-V131 PolarHBondContact O-N 2.94Å
132N81.2Confident85.4Confident111 Ų11166.6 Ų66.659%0.59434%0.336SS*.EExtended strand (participates in β ladder)trans-87.9108.8168.1-68.7-36.2000108.1
133L87.1Confident84.3Confident30 Ų3069.2 Ų69.216%0.15735%0.346CS..EExtended strand (participates in β ladder)trans-92.3125.2177.4-175.367.8000109.4Q125 V126 I128 V135 G261 M262 I265Q125-L133 CarbonylContact C-O 3.56Å; Q125-L133 WeakPolarHBondContact CA-O 3.39Å; V126-L133 PolarHBondContact N-O 3.17Å; V126-L133 PolarHBondContact O-N 2.93Å; I128-L133 HydrophobicContact CD1-CB 4.38Å; I128-L133 HydrophobicContact CD1-CD2 3.54Å; I128-L133 HydrophobicContact CG1-CD2 4.49Å; L133-V135 HydrophobicContact CD2-CG2 4Å; L133-V135 HydrophobicContact CG-CG2 4.02Å; L133-G261 WeakPolarHBondContact CD1-O 3.5Å; L133-M262 HydrophobicContact CD2-CB 4.23Å; L133-M262 HydrophobicContact CD2-CG 3.81Å; L133-I265 HydrophobicContact CD2-CD1 3.64Å; L133-I265 HydrophobicContact CD2-CG1 4.16Å
134E90.5Very high83.2Confident94 Ų9467.2 Ų67.244%0.43935%0.347SS..EExtended strand (participates in β ladder)trans-82.2117.7171.7-176.4171.9111.600109.3K123K123-E134 IonicContact NZ-OE1 2.74Å; K123-E134 PolarHBondContact NZ-OE1 3.42Å; K123-E134 IonicContact NZ-OE2 2.77Å
135V92Very high82.3Confident1 Ų166.9 Ų66.91%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-115.2135179.1-176.70000108.6H124 V126 L133 L259 T260 M262H124-V135 PolarHBondContact N-O 3.04Å; H124-V135 PolarHBondContact O-N 3.4Å; V126-V135 HydrophobicContact CB-CG2 4.2Å; V126-V135 HydrophobicContact CG2-CB 4.17Å; V126-V135 HydrophobicContact CG2-CG2 3.72Å; L133-V135 HydrophobicContact CD2-CG2 4Å; L133-V135 HydrophobicContact CG-CG2 4.02Å; V135-L259 HydrophobicContact CG1-CB 3.61Å; V135-L259 HydrophobicContact CG1-CD1 4.47Å; V135-L259 HydrophobicContact CG1-CD2 3.9Å; V135-L259 HydrophobicContact CG1-CG 4.18Å; V135-T260 CarbonylContact C-O 3.59Å; V135-T260 WeakPolarHBondContact CA-O 3.5Å; V135-T260 WeakPolarHBondContact CG1-O 3.41Å; V135-M262 HydrophobicContact CG1-CG 4.38Å; V135-M262 HydrophobicContact CG1-SD 4.33Å; V135-M262 HydrophobicContact CG2-CG 3.88Å; V135-M262 HydrophobicContact CG2-SD 4.42Å
136T93.9Very high81.6Confident32 Ų3260.9 Ų60.920%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-103.5120.5175.8-56.10000110.4S122 K138 L259 T260S122-T136 CarbonylContact O-C 3.55Å; S122-T136 VanDerWaalsContact O-CA 3.31Å; S122-T136 WeakPolarHBondContact O-CA 3.48Å; T136-K138 HydrophobicContact CG2-CG 4.18Å; T136-L259 WeakPolarHBondContact O-CA 3.42Å; T136-T260 PolarHBondContact N-O 2.91Å; T136-T260 PolarHBondContact O-N 3.07Å; T136-T260 PolarHBondContact O-OG1 3.36Å
137A94.1Very high81.2Confident3 Ų364.8 Ų64.83%0.02533%0.332CS..EExtended strand (participates in β ladder)trans-81.9127.7171.700000110.9V118 S122 V257 L258 L259V118-A137 HydrophobicContact CG1-CB 3.89Å; V118-A137 WeakPolarHBondContact O-CB 3.31Å; S122-A137 PolarHBondContact O-N 3.5Å; A137-V257 HydrophobicContact CB-CG1 3.75Å; A137-L258 CarbonylContact C-O 3.44Å; A137-L258 WeakPolarHBondContact CA-O 2.65Å; A137-L259 HydrophobicContact CB-CD2 4.05Å
138K92.3Very high81.1Confident102 Ų10257.9 Ų57.944%0.44331%0.307SS..EExtended strand (participates in β ladder)trans-132.4149.2179-64.8-177.3-177.4175.30110.1T136 L258T136-K138 HydrophobicContact CG2-CG 4.18Å; K138-L258 HydrophobicContact CB-CB 4.38Å; K138-L258 PolarHBondContact N-O 3.16Å; K138-L258 PolarHBondContact O-N 3.31Å
139P90Very high81.1Confident65 Ų6559.4 Ų59.442%0.42231%0.314SS..EExtended strand (participates in β ladder)trans-64143170.528.5-33.2000110T252P139-T252 HydrophobicContact CB-CG2 4.12Å
140V86.9Confident81.5Confident0 Ų054.1 Ų54.10%029%0.293CS..EExtended strand (participates in β ladder)trans-89.7119176.9-175.50000108.6Y98 L106 L142 T252 S253 T256 L258 F305Y98-V140 HydrophobicContact CD2-CG1 3.79Å; Y98-V140 HydrophobicContact CE2-CG1 3.92Å; Y98-V140 HydrophobicContact CG-CG1 4.5Å; L106-V140 HydrophobicContact CD2-CG1 4.2Å; L106-V140 HydrophobicContact CD2-CG2 3.46Å; L106-V140 VanDerWaalsContact CD2-CG2 3.46Å; V140-L142 PolarHBondContact O-N 2.92Å; V140-T252 CarbonylContact O-C 3.48Å; V140-T252 VanDerWaalsContact O-CA 3.29Å; V140-T252 WeakPolarHBondContact O-CA 3.48Å; V140-S253 PolarHBondContact O-N 2.89Å; V140-T256 HydrophobicContact CG2-CG2 4.08Å; V140-T256 WeakPolarHBondContact CG2-O 3.36Å; V140-L258 HydrophobicContact CG2-CB 3.89Å; V140-F305 HydrophobicContact CG1-CE1 4.35Å; V140-F305 HydrophobicContact CG1-CZ 4.07Å
141P81Confident81.9Confident76 Ų7649.6 Ų49.649%0.49427%0.265SS..EExtended strand (participates in β ladder)trans-67.8122.9169.927.8-31.2000109.4G251P141-G251 CarbonylContact C-O 3.59Å; P141-G251 WeakPolarHBondContact CA-O 3.36Å
142L71.6Confident82.2Confident18 Ų1846.8 Ų46.89%0.09425%0.246CC..EExtended strand (participates in β ladder)trans-78.5121.8169.4-59.5178.1000108.8V140 F249 G251 F305V140-L142 PolarHBondContact O-N 2.92Å; L142-F249 HydrophobicContact CD1-CD2 3.77Å; L142-F249 HydrophobicContact CD1-CE2 4.07Å; L142-G251 PolarHBondContact N-O 2.76Å; L142-F305 HydrophobicContact CD2-CD2 4.43Å; L142-F305 HydrophobicContact CD2-CE2 3.13Å; L142-F305 HydrophobicContact CD2-CZ 3.27Å
143N68.2Low82.4Confident109 Ų10943.9 Ų43.958%0.58323%0.229SC*.EExtended strand (participates in β ladder)trans-63157.8153.7-64.8-29.5000108.8V96 G145V96-N143 HydrophobicContact CG1-CB 4.27Å; N143-G145 PolarHBondContact O-N 2.99Å
144S70.2Confident82.4Confident75 Ų7544.3 Ų44.352%0.52423%0.233SC..EExtended strand (participates in β ladder)trans-54.6115.9-179.7-61.10000111F249S144-F249 CarbonylContact C-O 3.58Å; S144-F249 WeakPolarHBondContact CA-O 2.97Å
145G70.9Confident82.3Confident1 Ų140.3 Ų40.31%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-112.9161.4173.700000111.2N143 I248 F249N143-G145 PolarHBondContact O-N 2.99Å; G145-I248 WeakPolarHBondContact O-CA 3.46Å; G145-F249 VanDerWaalsContact C-CE1 3.41Å; G145-F249 PolarHBondContact N-O 2.89Å; G145-F249 WeakPolarHBondContact O-CD1 3.26Å; G145-F249 PolarHBondContact O-N 2.89Å
146V74.4Confident82.1Confident5 Ų542.5 Ų42.53%0.0323%0.225CC..EExtended strand (participates in β ladder)trans-114.4142.8177.9-63.10000111.7I60 E62 S94 F148 Y246 Q247 I248I60-V146 HydrophobicContact CD1-CG1 3.59Å; E62-V146 WeakPolarHBondContact OE2-CG2 3.5Å; S94-V146 PolarHBondContact N-O 2.98Å; V146-F148 HydrophobicContact CG2-CD1 4.47Å; V146-F148 HydrophobicContact CG2-CE1 4.29Å; V146-Y246 HydrophobicContact CB-CE2 3.98Å; V146-Y246 HydrophobicContact CG1-CE2 3.85Å; V146-Y246 VanDerWaalsContact CG1-OH 3.27Å; V146-Y246 WeakPolarHBondContact CG1-OH 3.36Å; V146-Q247 WeakPolarHBondContact CA-O 3.23Å; V146-I248 HydrophobicContact CG1-CG1 4.45Å
147R77.5Confident81.9Confident82 Ų8243.5 Ų43.531%0.30923%0.228SC..EExtended strand (participates in β ladder)trans-132.7132.8172.1-174.2170.672.2-178.80.6109.4Q91 V92 S93 Y246 Q247 F249Q91-R147 HydrophobicContact CG-CG 4.28Å; V92-R147 CarbonylContact O-C 3.52Å; V92-R147 WeakPolarHBondContact O-CA 3.3Å; S93-R147 WeakPolarHBondContact OG-CD 3.26Å; R147-Y246 CarbonylContact O-C 3.58Å; R147-Y246 WeakPolarHBondContact O-CA 3.46Å; R147-Q247 PolarHBondContact N-O 3.25Å; R147-Q247 PolarHBondContact O-N 2.87Å; R147-F249 HydrophobicContact CB-CD1 4.18Å; R147-F249 HydrophobicContact CB-CE1 4.15Å
148F79.7Confident81.9Confident19 Ų1946.4 Ų46.48%0.08324%0.24CC..EExtended strand (participates in β ladder)trans-147.7165.7178.954.3-89.6000110.9I64 V92 V146 V150 L243 Y246I64-F148 HydrophobicContact CD1-CE2 4.01Å; I64-F148 HydrophobicContact CD1-CZ 3.48Å; I64-F148 VanDerWaalsContact CD1-CZ 3.48Å; I64-F148 HydrophobicContact CG1-CZ 4.04Å; V92-F148 HydrophobicContact CB-CD2 4.02Å; V92-F148 HydrophobicContact CB-CE1 4.2Å; V92-F148 HydrophobicContact CB-CE2 3.54Å; V92-F148 HydrophobicContact CB-CZ 3.62Å; V92-F148 HydrophobicContact CG1-CE1 4.02Å; V92-F148 HydrophobicContact CG1-CE2 3.9Å; V92-F148 HydrophobicContact CG1-CZ 3.47Å; V92-F148 VanDerWaalsContact CG1-CZ 3.47Å; V92-F148 HydrophobicContact CG2-CD2 4.44Å; V92-F148 HydrophobicContact CG2-CE2 3.86Å; V92-F148 HydrophobicContact CG2-CZ 4.3Å; V92-F148 PolarHBondContact N-O 2.97Å; V92-F148 PolarHBondContact O-N 3.17Å; V146-F148 HydrophobicContact CG2-CD1 4.47Å; V146-F148 HydrophobicContact CG2-CE1 4.29Å; F148-V150 HydrophobicContact CD2-CG2 3.8Å; F148-V150 HydrophobicContact CE2-CG2 3.56Å; F148-L243 HydrophobicContact CD2-CD2 3.28Å; F148-L243 HydrophobicContact CE2-CD2 3.62Å; F148-L243 HydrophobicContact CG-CD2 4.09Å; F148-Y246 HydrophobicContact CB-CD2 4.2Å; F148-Y246 HydrophobicContact CD1-CD2 4.45Å
149Q80.6Confident82Confident44 Ų4441.6 Ų41.621%0.20622%0.219CC..EExtended strand (participates in β ladder)trans-110.3123.3172.2-67.2-171.2-15.200109.5F90 Q91 R244 K245F90-Q149 CarbonylContact O-C 3.54Å; F90-Q149 WeakPolarHBondContact O-CA 3.47Å; Q91-Q149 HydrophobicContact CB-CG 4.48Å; Q149-R244 PolarHBondContact N-O 3Å; Q149-R244 PolarHBondContact O-N 2.85Å; Q149-K245 HydrophobicContact CG-CB 4.3Å; Q149-K245 HydrophobicContact CG-CD 4.39Å; Q149-K245 VanDerWaalsContact OE1-CD 3.26Å; Q149-K245 VanDerWaalsContact OE1-CE 3.26Å
150V81.3Confident82.3Confident23 Ų2340.6 Ų40.614%0.13921%0.21CC..EExtended strand (participates in β ladder)trans-88.6114.2170.5-174.50000107.4S89 F90 V92 F148 I152 I241 L243S89-V150 CarbonylContact C-O 3.53Å; S89-V150 WeakPolarHBondContact CA-O 3.24Å; F90-V150 PolarHBondContact N-O 2.72Å; F90-V150 PolarHBondContact O-N 2.87Å; V92-V150 HydrophobicContact CG2-CG2 3.87Å; F148-V150 HydrophobicContact CD2-CG2 3.8Å; F148-V150 HydrophobicContact CE2-CG2 3.56Å; V150-I152 HydrophobicContact CG1-CD1 4.28Å; V150-I152 HydrophobicContact CG1-CG1 3.88Å; V150-I241 HydrophobicContact CG1-CG2 3.79Å; V150-L243 HydrophobicContact CG2-CD2 3.97Å
151Y79.9Confident82.7Confident53 Ų5340.6 Ų40.621%0.20821%0.21CC..EExtended strand (participates in β ladder)trans-102.4119.2173.7-172.2-96.7000108.5S87 E153 H242S87-Y151 VanDerWaalsContact CB-CZ 3.41Å; S87-Y151 WeakPolarHBondContact CB-OH 3.43Å; S87-Y151 PolarHBondContact OG-OH 3.38Å; Y151-E153 HydrophobicContact CE1-CB 4.2Å; Y151-H242 PolarHBondContact N-O 2.96Å; Y151-H242 PolarHBondContact O-N 2.81Å
152I82.9Confident83.4Confident39 Ų3939.1 Ų39.120%0.220%0.199CC..EExtended strand (participates in β ladder)trans-111.6128.8-179.4-54.5-173.7000107.7S87 C88 F90 V150 T239 E240 I241S87-I152 CarbonylContact C-O 3.59Å; S87-I152 VanDerWaalsContact CA-O 3.22Å; S87-I152 WeakPolarHBondContact CA-O 3.41Å; C88-I152 PolarHBondContact N-O 2.88Å; C88-I152 PolarHBondContact O-N 3.37Å; F90-I152 HydrophobicContact CD2-CD1 4.23Å; F90-I152 HydrophobicContact CD2-CG1 4.41Å; F90-I152 HydrophobicContact CE2-CD1 3.75Å; F90-I152 HydrophobicContact CE2-CG1 4.08Å; V150-I152 HydrophobicContact CG1-CD1 4.28Å; V150-I152 HydrophobicContact CG1-CG1 3.88Å; I152-T239 HydrophobicContact CG2-CG2 3.23Å; I152-E240 WeakPolarHBondContact CA-O 3.31Å; I152-I241 HydrophobicContact CG1-CG1 4.47Å
153E85.4Confident84.5Confident50 Ų5044.4 Ų44.423%0.23422%0.224CC..EExtended strand (participates in β ladder)trans-123.9115.7178-171171.3179.100109.8N85 I86 Y151 T239 E240N85-E153 HydrophobicContact CB-CG 3.6Å; N85-E153 VanDerWaalsContact CB-OE1 3.27Å; N85-E153 WeakPolarHBondContact CB-OE1 3.38Å; N85-E153 PolarHBondContact ND2-OE1 3Å; I86-E153 CarbonylContact O-C 3.47Å; I86-E153 WeakPolarHBondContact O-CA 3.34Å; Y151-E153 HydrophobicContact CE1-CB 4.2Å; E153-T239 CarbonylContact O-C 3.59Å; E153-T239 WeakPolarHBondContact O-CA 3.35Å; E153-E240 PolarHBondContact N-O 2.9Å; E153-E240 PolarHBondContact O-N 2.85Å
154V87.3Confident85.7Confident39 Ų3939.7 Ų39.724%0.23620%0.198CC..EExtended strand (participates in β ladder)trans-97.9121.5177.8-179.20000108.8N85 I86 P237 T239N85-V154 CarbonylContact C-O 3.45Å; N85-V154 WeakPolarHBondContact CA-O 3.32Å; N85-V154 WeakPolarHBondContact CB-O 3.39Å; I86-V154 HydrophobicContact CB-CB 4.38Å; I86-V154 PolarHBondContact N-O 2.91Å; I86-V154 PolarHBondContact O-N 3.4Å; V154-P237 HydrophobicContact CG1-CB 3.79Å; V154-T239 HydrophobicContact CG2-CG2 4.11Å
155S87.7Confident86.7Confident11 Ų1137.2 Ų37.28%0.07718%0.18CC..EExtended strand (participates in β ladder)trans-75.2137.2-178.7-172.80000112.5N85 M157 K158 Y238N85-S155 VanDerWaalsContact OD1-CA 3.23Å; N85-S155 WeakPolarHBondContact OD1-CA 3.4Å; N85-S155 PolarHBondContact OD1-OG 3.48Å; S155-M157 PolarHBondContact OG-N 2.88Å; S155-K158 PolarHBondContact OG-N 3.45Å; S155-K158 VanDerWaalsContact OG-N 3.09Å; S155-Y238 PolarHBondContact N-O 3.18Å
156K87.5Confident87.6Confident47 Ų4741.6 Ų41.620%0.20420%0.204CC..EExtended strand (participates in β ladder)trans-89.5-2.6170.4-56.5-179.8-173.2172.30113.8L83 S84 N85 A213L83-K156 WeakPolarHBondContact O-CD 3.44Å; L83-K156 WeakPolarHBondContact O-CE 3.33Å; L83-K156 PolarHBondContact O-NZ 3.28Å; S84-K156 WeakPolarHBondContact O-CB 3.49Å; S84-K156 WeakPolarHBondContact O-CD 3.29Å; S84-K156 WeakPolarHBondContact O-CG 3.49Å; S84-K156 PolarHBondContact O-N 3.41Å; N85-K156 PolarHBondContact OD1-N 2.92Å; K156-A213 VanDerWaalsContact O-CB 3.3Å; K156-A213 WeakPolarHBondContact O-CB 3.5Å
157M89.9Confident88.2Confident52 Ų5245 Ų4526%0.25623%0.225SC..EExtended strand (participates in β ladder)trans-119.5-16.5-177.5-62.6177.468.800112.5S155 F207 V208 T210S155-M157 PolarHBondContact OG-N 2.88Å; M157-F207 WeakPolarHBondContact CE-O 3.2Å; M157-F207 VanDerWaalsContact O-CD2 3.29Å; M157-F207 WeakPolarHBondContact O-CD2 3.12Å; M157-F207 PolarHBondContact O-N 2.92Å; M157-V208 WeakPolarHBondContact CE-O 3.47Å; M157-T210 HydrophobicContact CG-CG2 3.7Å; M157-T210 HydrophobicContact SD-CG2 3.8Å
158K93.7Very high88.8Confident65 Ų6542.2 Ų42.228%0.28322%0.216SC..EExtended strand (participates in β ladder)trans-112.7143-179.9-60.1-178.2177.9-179.20111.8S155 V204 I205 T206 Y238S155-K158 PolarHBondContact OG-N 3.45Å; S155-K158 VanDerWaalsContact OG-N 3.09Å; K158-V204 HydrophobicContact CB-CG1 4.43Å; K158-V204 HydrophobicContact CD-CG1 4.49Å; K158-I205 VanDerWaalsContact CA-O 3.28Å; K158-I205 WeakPolarHBondContact CA-O 3.31Å; K158-T206 HydrophobicContact CG-CG2 4.02Å; K158-Y238 HydrophobicContact CB-CD1 3.85Å; K158-Y238 HydrophobicContact CB-CD2 4.39Å; K158-Y238 HydrophobicContact CB-CG 3.67Å; K158-Y238 HydrophobicContact CD-CD1 3.84Å; K158-Y238 HydrophobicContact CD-CE1 3.87Å; K158-Y238 HydrophobicContact CD-CG 4.23Å; K158-Y238 HydrophobicContact CG-CD1 4.48Å; K158-Y238 WeakPolarHBondContact O-CB 3.36Å
159I95.4Very high89.4Confident0 Ų044.5 Ų44.50%023%0.233CC..EExtended strand (participates in β ladder)trans-129.4151.3170.164.7174.9000110.4V161 F181 V204 I205 F207 A213 I216 L217 V235I159-V161 HydrophobicContact CD1-CG2 4.03Å; I159-V161 HydrophobicContact CG1-CG2 4.15Å; I159-F181 HydrophobicContact CD1-CD1 4.04Å; I159-F181 HydrophobicContact CD1-CE1 3.72Å; I159-V204 WeakPolarHBondContact O-CA 3.48Å; I159-I205 HydrophobicContact CD1-CB 4.43Å; I159-I205 HydrophobicContact CG1-CB 3.91Å; I159-I205 PolarHBondContact N-O 2.79Å; I159-I205 PolarHBondContact O-N 3.11Å; I159-F207 HydrophobicContact CD1-CE2 3.78Å; I159-F207 HydrophobicContact CD1-CZ 3.91Å; I159-F207 HydrophobicContact CG1-CE2 3.85Å; I159-F207 HydrophobicContact CG1-CZ 4.36Å; I159-F207 HydrophobicContact CG2-CE2 4.22Å; I159-A213 HydrophobicContact CG2-CB 3.61Å; I159-I216 HydrophobicContact CD1-CD1 4.09Å; I159-I216 HydrophobicContact CD1-CG2 3.82Å; I159-L217 HydrophobicContact CG2-CD1 4.19Å; I159-L217 HydrophobicContact CG2-CD2 4.02Å; I159-L217 HydrophobicContact CG2-CG 3.97Å; I159-V235 HydrophobicContact CD1-CG1 4.42Å
160N96.3Very high89.9Confident45 Ų4547.4 Ų47.424%0.24125%0.246CC..EExtended strand (participates in β ladder)trans-93.9136.2166.2-74.5-32.3000109.2V235 S236 Y238N160-V235 CarbonylContact O-C 3.26Å; N160-V235 WeakPolarHBondContact O-CA 3.31Å; N160-S236 WeakPolarHBondContact CB-OG 3.42Å; N160-S236 PolarHBondContact N-O 2.79Å; N160-S236 PolarHBondContact O-N 3.49Å; N160-Y238 WeakPolarHBondContact OD1-CD2 3.44Å
161V96.2Very high90.4Very high0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-123.1126.7175.7-171.50000107.9I159 I164 F181 S202 A203 I205 V233 T234 V235I159-V161 HydrophobicContact CD1-CG2 4.03Å; I159-V161 HydrophobicContact CG1-CG2 4.15Å; V161-I164 HydrophobicContact CB-CD1 4.27Å; V161-I164 HydrophobicContact CG1-CD1 4.12Å; V161-I164 HydrophobicContact CG1-CG1 4.07Å; V161-F181 HydrophobicContact CB-CZ 4.49Å; V161-F181 HydrophobicContact CG1-CE2 4.38Å; V161-F181 HydrophobicContact CG1-CZ 4.02Å; V161-F181 HydrophobicContact CG2-CE1 4.21Å; V161-F181 HydrophobicContact CG2-CE2 4.17Å; V161-F181 HydrophobicContact CG2-CZ 3.65Å; V161-S202 CarbonylContact O-C 3.56Å; V161-S202 WeakPolarHBondContact O-CA 3.48Å; V161-A203 HydrophobicContact CB-CB 4.49Å; V161-A203 PolarHBondContact N-O 2.75Å; V161-A203 PolarHBondContact O-N 3.36Å; V161-I205 HydrophobicContact CG2-CD1 3.63Å; V161-I205 HydrophobicContact CG2-CG1 4.01Å; V161-V233 HydrophobicContact CG1-CB 3.83Å; V161-V233 HydrophobicContact CG1-CG2 3.52Å; V161-T234 CarbonylContact C-O 3.43Å; V161-T234 VanDerWaalsContact CA-O 3.31Å; V161-T234 WeakPolarHBondContact CA-O 3.36Å; V161-V235 HydrophobicContact CG1-CG1 4.43Å; V161-V235 HydrophobicContact CG2-CG1 4.19Å
162T95.7Very high91Very high44 Ų4454.3 Ų54.327%0.2728%0.283SS..EExtended strand (participates in β ladder)trans-125.8170.9-178.560.90000110.5I164 V233 T234T162-I164 VanDerWaalsContact C-N 3.27Å; T162-I164 PolarHBondContact O-N 2.9Å; T162-V233 WeakPolarHBondContact O-CB 3.31Å; T162-T234 PolarHBondContact N-O 2.84Å; T162-T234 PolarHBondContact O-N 2.83Å; T162-T234 VanDerWaalsContact O-N 3.08Å; T162-T234 WeakPolarHBondContact OG1-CB 3.17Å
163E94.1Very high91.6Very high130 Ų13052.5 Ų52.561%0.60727%0.273SS*.  trans64.832.3-177.9-50.4175.2143.700112.5G201 T234E163-G201 PolarHBondContact N-O 2.9Å; E163-T234 WeakPolarHBondContact OE2-CB 3.43Å; E163-T234 PolarHBondContact OE2-OG1 3.49Å
164I93.9Very high92Very high9 Ų955.1 Ų55.15%0.04628%0.281CS..  trans-73.9124.5178-56.9173.1000108.3V161 T162 M173 L177 Y196 G201 A203 L224 V233V161-I164 HydrophobicContact CB-CD1 4.27Å; V161-I164 HydrophobicContact CG1-CD1 4.12Å; V161-I164 HydrophobicContact CG1-CG1 4.07Å; T162-I164 VanDerWaalsContact C-N 3.27Å; T162-I164 PolarHBondContact O-N 2.9Å; I164-M173 HydrophobicContact CG2-CE 4.32Å; I164-M173 HydrophobicContact CG2-CG 4.1Å; I164-M173 HydrophobicContact CG2-SD 3.76Å; I164-L177 HydrophobicContact CD1-CD1 4Å; I164-L177 HydrophobicContact CD1-CD2 4.09Å; I164-L177 HydrophobicContact CG2-CD2 4.44Å; I164-Y196 HydrophobicContact CB-CE2 4.13Å; I164-Y196 HydrophobicContact CD1-CD2 3.98Å; I164-Y196 HydrophobicContact CD1-CE2 3.93Å; I164-Y196 HydrophobicContact CG2-CE2 3.83Å; I164-G201 WeakPolarHBondContact CB-O 3.38Å; I164-G201 WeakPolarHBondContact CG1-O 3.27Å; I164-G201 PolarHBondContact N-O 3.16Å; I164-A203 HydrophobicContact CD1-CB 3.5Å; I164-A203 VanDerWaalsContact CD1-CB 3.5Å; I164-L224 HydrophobicContact CG2-CD2 4.42Å; I164-V233 HydrophobicContact CG1-CG1 4.38Å
165P91.3Very high92.4Very high23 Ų2356.8 Ų56.815%0.14929%0.289CS..  trans-71.7131.4-17630.7-38000111.6T167 M173 I226 H231P165-T167 VanDerWaalsContact C-N 3.26Å; P165-T167 HydrophobicContact CB-CG2 4.04Å; P165-T167 PolarHBondContact O-N 3.49Å; P165-T167 PolarHBondContact O-OG1 2.82Å; P165-M173 WeakPolarHBondContact O-CE 3.41Å; P165-I226 HydrophobicContact CG-CD1 3.5Å; P165-H231 HydrophobicContact CG-CB 4.09Å
166D88.3Confident92.7Very high93 Ų9359 Ų5950%0.49730%0.297SS..  trans-78.473.5174.6-17319.2000111.6R198D166-R198 VanDerWaalsContact CG-NE 3.34Å; D166-R198 IonicContact OD1-CZ 3.51Å; D166-R198 IonicContact OD1-NE 3.29Å; D166-R198 PolarHBondContact OD1-NE 3.1Å; D166-R198 IonicContact OD1-NH2 2.92Å; D166-R198 PolarHBondContact OD1-NH2 3.38Å; D166-R198 IonicContact OD2-CZ 3.5Å; D166-R198 IonicContact OD2-NE 3.91Å; D166-R198 PolarHBondContact OD2-NE 3.39Å; D166-R198 IonicContact OD2-NH2 2.89Å; D166-R198 PolarHBondContact OD2-NH2 3.21Å
167T87.8Confident93Very high77 Ų7756.7 Ų56.747%0.47229%0.287SS..  trans-114.8-15.9-175.550.40000113.7P165 I226P165-T167 VanDerWaalsContact C-N 3.26Å; P165-T167 HydrophobicContact CB-CG2 4.04Å; P165-T167 PolarHBondContact O-N 3.49Å; P165-T167 PolarHBondContact O-OG1 2.82Å; T167-I226 WeakPolarHBondContact OG1-CD1 3.33Å
168L89.1Confident93.3Very high24 Ų2457.7 Ų57.713%0.12629%0.291CS..SBendtrans-128.7157.3-178.8-60.5176.5000110.5Q172 M173 K176 I226L168-Q172 HydrophobicContact CB-CB 4.16Å; L168-Q172 HydrophobicContact CD1-CB 4.42Å; L168-M173 HydrophobicContact CB-CB 4.38Å; L168-M173 HydrophobicContact CB-CE 4.05Å; L168-M173 HydrophobicContact CD1-CE 4.39Å; L168-M173 HydrophobicContact CG-CE 4.27Å; L168-K176 HydrophobicContact CD1-CB 4.33Å; L168-K176 HydrophobicContact CD1-CG 4.43Å; L168-I226 HydrophobicContact CD1-CG2 3.79Å; L168-I226 HydrophobicContact CD2-CG2 4.38Å; L168-I226 HydrophobicContact CG-CG2 4Å
169P92.3Very high93.3Very high67 Ų6760.1 Ų60.144%0.43531%0.306SS..  trans-55.3152.2165.5-2233.4000111.6D171 Q172 M173P169-D171 PolarHBondContact O-N 2.94Å; P169-Q172 PolarHBondContact O-N 2.89Å; P169-M173 PolarHBondContact O-N 3.29Å
170E91.8Very high93.2Very high104 Ų10460.2 Ų60.249%0.48631%0.307SS..Hα-helixtrans-53.1-50.7-172.6-169.7177156.200113.4Q172 M173 R174 Y196E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 3.23Å; E170-M173 PolarHBondContact O-N 3.28Å; E170-M173 VanDerWaalsContact O-N 3.16Å; E170-R174 PolarHBondContact O-N 3.31Å; E170-Y196 HydrophobicContact CG-CD1 4.01Å; E170-Y196 HydrophobicContact CG-CE1 4.33Å
171D92.1Very high93.1Very high115 Ų11558.1 Ų58.162%0.61530%0.296SS*.Hα-helixtrans-58-44.5177.9-61.3-40.3000111.9P169 M173 R174 D175P169-D171 PolarHBondContact O-N 2.94Å; D171-M173 PolarHBondContact O-N 2.92Å; D171-R174 PolarHBondContact O-N 2.84Å; D171-D175 VanDerWaalsContact O-CG 3.27Å; D171-D175 PolarHBondContact O-N 2.96Å
172Q93.4Very high92.9Very high107 Ų10760.4 Ų60.450%0.531%0.311SS..Hα-helixtrans-69.3-35.2179.6-65.2-175.82100112L168 P169 E170 K176L168-Q172 HydrophobicContact CB-CB 4.16Å; L168-Q172 HydrophobicContact CD1-CB 4.42Å; P169-Q172 PolarHBondContact O-N 2.89Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 3.23Å; Q172-K176 WeakPolarHBondContact O-CB 3.2Å; Q172-K176 PolarHBondContact O-N 3.17Å
173M94.3Very high92.7Very high0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-67.1-42.1175.8-176.65970.300110.7I164 P165 L168 P169 E170 D171 K176 L177 Y196 I226I164-M173 HydrophobicContact CG2-CE 4.32Å; I164-M173 HydrophobicContact CG2-CG 4.1Å; I164-M173 HydrophobicContact CG2-SD 3.76Å; P165-M173 WeakPolarHBondContact O-CE 3.41Å; L168-M173 HydrophobicContact CB-CB 4.38Å; L168-M173 HydrophobicContact CB-CE 4.05Å; L168-M173 HydrophobicContact CD1-CE 4.39Å; L168-M173 HydrophobicContact CG-CE 4.27Å; P169-M173 PolarHBondContact O-N 3.29Å; E170-M173 PolarHBondContact O-N 3.28Å; E170-M173 VanDerWaalsContact O-N 3.16Å; D171-M173 PolarHBondContact O-N 2.92Å; M173-K176 WeakPolarHBondContact O-CB 3.26Å; M173-K176 PolarHBondContact O-N 3.1Å; M173-L177 HydrophobicContact CG-CD1 4.07Å; M173-L177 HydrophobicContact CG-CG 4.42Å; M173-L177 VanDerWaalsContact O-CG 3.27Å; M173-L177 WeakPolarHBondContact O-CG 2.85Å; M173-L177 PolarHBondContact O-N 2.87Å; M173-L177 HydrophobicContact SD-CG 4.36Å; M173-Y196 HydrophobicContact CB-CD1 4.06Å; M173-Y196 HydrophobicContact CB-CE1 3.67Å; M173-Y196 HydrophobicContact CG-CD1 3.95Å; M173-Y196 HydrophobicContact CG-CE1 3.49Å; M173-Y196 VanDerWaalsContact CG-CE1 3.49Å; M173-Y196 HydrophobicContact CG-CE2 4.16Å; M173-Y196 HydrophobicContact CG-CG 4.47Å; M173-I226 HydrophobicContact CE-CD1 3.71Å; M173-I226 HydrophobicContact SD-CD1 4.06Å
174R94.8Very high92.3Very high106 Ų10660.1 Ų60.140%0.432%0.316SS..Hα-helixtrans-59.8-52176.4-169.4-170.471.3162.52111.3E170 D171 K176 L177 E178 V194E170-R174 PolarHBondContact O-N 3.31Å; D171-R174 PolarHBondContact O-N 2.84Å; R174-K176 PolarHBondContact O-N 3.23Å; R174-L177 WeakPolarHBondContact O-CB 3.03Å; R174-L177 PolarHBondContact O-N 2.87Å; R174-L177 VanDerWaalsContact O-N 3.16Å; R174-E178 PolarHBondContact O-N 2.84Å; R174-V194 WeakPolarHBondContact CD-O 3.35Å; R174-V194 HydrophobicContact CG-CB 3.85Å; R174-V194 HydrophobicContact CG-CG1 3.88Å
175D94.4Very high92Very high74 Ų7467.7 Ų67.740%0.39634%0.344SS..Hα-helixtrans-59-36.5176.8-66-6.7000110.9D171 L179D171-D175 VanDerWaalsContact O-CG 3.27Å; D171-D175 PolarHBondContact O-N 2.96Å; D175-L179 WeakPolarHBondContact O-CB 3.31Å; D175-L179 VanDerWaalsContact O-CG 3.26Å; D175-L179 WeakPolarHBondContact O-CG 3.44Å; D175-L179 PolarHBondContact O-N 2.98Å
176K94.7Very high91.6Very high56 Ų5667.5 Ų67.524%0.24334%0.342CS..Hα-helixtrans-68.6-41.4178.7-173.362.2179.8-167.30113L168 Q172 M173 R174 S180 Y225 I226L168-K176 HydrophobicContact CD1-CB 4.33Å; L168-K176 HydrophobicContact CD1-CG 4.43Å; Q172-K176 WeakPolarHBondContact O-CB 3.2Å; Q172-K176 PolarHBondContact O-N 3.17Å; M173-K176 WeakPolarHBondContact O-CB 3.26Å; M173-K176 PolarHBondContact O-N 3.1Å; R174-K176 PolarHBondContact O-N 3.23Å; K176-S180 VanDerWaalsContact O-CB 3.29Å; K176-S180 WeakPolarHBondContact O-CB 3.45Å; K176-S180 PolarHBondContact O-N 2.8Å; K176-Y225 WeakPolarHBondContact CE-O 3.31Å; K176-Y225 PolarHBondContact NZ-O 2.84Å; K176-I226 HydrophobicContact CG-CG1 4.39Å
177L94.4Very high91.5Very high0 Ų063.8 Ų63.80%033%0.326CS..Hα-helixtrans-61.9-51.2174.4-71.9164.2000109.4I164 M173 R174 L179 S180 F181 V194 Y196 A203 L224I164-L177 HydrophobicContact CD1-CD1 4Å; I164-L177 HydrophobicContact CD1-CD2 4.09Å; I164-L177 HydrophobicContact CG2-CD2 4.44Å; M173-L177 HydrophobicContact CG-CD1 4.07Å; M173-L177 HydrophobicContact CG-CG 4.42Å; M173-L177 VanDerWaalsContact O-CG 3.27Å; M173-L177 WeakPolarHBondContact O-CG 2.85Å; M173-L177 PolarHBondContact O-N 2.87Å; M173-L177 HydrophobicContact SD-CG 4.36Å; R174-L177 WeakPolarHBondContact O-CB 3.03Å; R174-L177 PolarHBondContact O-N 2.87Å; R174-L177 VanDerWaalsContact O-N 3.16Å; L177-L179 PolarHBondContact O-N 3.45Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 2.98Å; L177-F181 HydrophobicContact CD2-CE2 4.05Å; L177-F181 VanDerWaalsContact O-CD2 3.27Å; L177-F181 WeakPolarHBondContact O-CD2 3.43Å; L177-F181 PolarHBondContact O-N 3.09Å; L177-V194 HydrophobicContact CB-CG1 4.06Å; L177-V194 HydrophobicContact CD1-CG1 4.17Å; L177-Y196 HydrophobicContact CD1-CD2 3.9Å; L177-Y196 HydrophobicContact CD1-CG 4.05Å; L177-A203 HydrophobicContact CD1-CB 3.88Å; L177-L224 HydrophobicContact CD2-CD1 4.18Å; L177-L224 HydrophobicContact CD2-CD2 3.95Å
178E95.4Very high91.6Very high72 Ų7260.5 Ų60.534%0.33631%0.307SS..Hα-helixtrans-52.6-54.5177.5-169.8-178.3164.400111.6R174 S180 F181 C182 V191 V194R174-E178 PolarHBondContact O-N 2.84Å; E178-S180 PolarHBondContact O-N 2.91Å; E178-F181 PolarHBondContact O-N 3.41Å; E178-C182 WeakPolarHBondContact O-CB 3.3Å; E178-C182 PolarHBondContact O-N 2.59Å; E178-C182 PolarHBondContact O-SG 3.33Å; E178-C182 VanDerWaalsContact O-SG 3.34Å; E178-V191 HydrophobicContact CG-CB 4.01Å; E178-V191 HydrophobicContact CG-CG1 3.95Å; E178-V194 HydrophobicContact CB-CG2 3.82Å; E178-V194 HydrophobicContact CG-CG2 4.3Å
179L93.9Very high91.8Very high116 Ų11659.8 Ų59.861%0.60731%0.305SS*.Hα-helixtrans-61.5-30.5178-72.5173.2000113.7D175 L177 K183D175-L179 WeakPolarHBondContact O-CB 3.31Å; D175-L179 VanDerWaalsContact O-CG 3.26Å; D175-L179 WeakPolarHBondContact O-CG 3.44Å; D175-L179 PolarHBondContact O-N 2.98Å; L177-L179 PolarHBondContact O-N 3.45Å; L179-K183 WeakPolarHBondContact O-CE 3.25Å; L179-K183 WeakPolarHBondContact O-CG 3.37Å
180S92.9Very high91.9Very high3 Ų362.6 Ų62.62%0.02131%0.313CS..Hα-helixtrans-72.2-50.6177.6-163.20000110.2K176 L177 E178 C182 K183 Y222K176-S180 VanDerWaalsContact O-CB 3.29Å; K176-S180 WeakPolarHBondContact O-CB 3.45Å; K176-S180 PolarHBondContact O-N 2.8Å; L177-S180 WeakPolarHBondContact O-CB 3.37Å; L177-S180 PolarHBondContact O-N 2.98Å; E178-S180 PolarHBondContact O-N 2.91Å; S180-C182 VanDerWaalsContact C-N 3.31Å; S180-C182 PolarHBondContact O-N 3.17Å; S180-K183 VanDerWaalsContact O-CB 3.29Å; S180-K183 WeakPolarHBondContact O-CB 3.35Å; S180-K183 PolarHBondContact O-N 3.2Å; S180-Y222 PolarHBondContact O-OH 3.08Å
181F94.1Very high92.1Very high0 Ų058.1 Ų58.10%029%0.293CS..Hα-helixtrans-75.3-16.5-176.2-76.6-86000113.8I159 V161 L177 E178 K183 G188 G189 V191 I205 F207 I216 Y222 V233 V235I159-F181 HydrophobicContact CD1-CD1 4.04Å; I159-F181 HydrophobicContact CD1-CE1 3.72Å; V161-F181 HydrophobicContact CB-CZ 4.49Å; V161-F181 HydrophobicContact CG1-CE2 4.38Å; V161-F181 HydrophobicContact CG1-CZ 4.02Å; V161-F181 HydrophobicContact CG2-CE1 4.21Å; V161-F181 HydrophobicContact CG2-CE2 4.17Å; V161-F181 HydrophobicContact CG2-CZ 3.65Å; L177-F181 HydrophobicContact CD2-CE2 4.05Å; L177-F181 VanDerWaalsContact O-CD2 3.27Å; L177-F181 WeakPolarHBondContact O-CD2 3.43Å; L177-F181 PolarHBondContact O-N 3.09Å; E178-F181 PolarHBondContact O-N 3.41Å; F181-K183 PolarHBondContact O-N 2.85Å; F181-G188 CarbonylContact O-C 3.55Å; F181-G188 WeakPolarHBondContact O-CA 3.33Å; F181-G189 PolarHBondContact O-N 3.41Å; F181-V191 HydrophobicContact CB-CG2 3.95Å; F181-I205 HydrophobicContact CB-CD1 4.02Å; F181-I205 HydrophobicContact CB-CG2 4.25Å; F181-I205 HydrophobicContact CD1-CD1 3.8Å; F181-I205 HydrophobicContact CD2-CD1 3.03Å; F181-I205 HydrophobicContact CE1-CD1 3.96Å; F181-I205 HydrophobicContact CE2-CD1 3.24Å; F181-I205 HydrophobicContact CG-CD1 3.33Å; F181-I205 HydrophobicContact CZ-CD1 3.71Å; F181-F207 HydrophobicContact CB-CE1 4.13Å; F181-F207 HydrophobicContact CB-CZ 4.3Å; F181-F207 HydrophobicContact CD1-CZ 4.14Å; F181-I216 HydrophobicContact CD1-CD1 4.04Å; F181-I216 HydrophobicContact CE1-CG2 4.36Å; F181-Y222 HydrophobicContact CD1-CD2 4.22Å; F181-Y222 HydrophobicContact CD1-CE1 4.26Å; F181-Y222 AromaticContact CD1-CE2 3.88Å; F181-Y222 HydrophobicContact CD1-CE2 3.88Å; F181-Y222 AromaticContact CD1-CZ 3.91Å; F181-Y222 HydrophobicContact CD2-CE1 4.5Å; F181-Y222 AromaticContact CE1-CD1 3.85Å; F181-Y222 HydrophobicContact CE1-CD1 3.85Å; F181-Y222 AromaticContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CE1 4.05Å; F181-Y222 AromaticContact CE1-CE2 3.81Å; F181-Y222 HydrophobicContact CE1-CE2 3.81Å; F181-Y222 AromaticContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE2-CD1 4.2Å; F181-Y222 HydrophobicContact CE2-CE1 4.3Å; F181-Y222 HydrophobicContact CG-CE1 4.5Å; F181-Y222 AromaticContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD2 4.28Å; F181-Y222 HydrophobicContact CZ-CE1 4.08Å; F181-Y222 AromaticContact CZ-CG 3.8Å; F181-Y222 HydrophobicContact CZ-CG 3.8Å; F181-V233 HydrophobicContact CZ-CG2 4.45Å; F181-V235 HydrophobicContact CE1-CG1 4.27Å; F181-V235 HydrophobicContact CZ-CG1 4.32Å
182C93Very high92.2Very high48 Ų4858 Ų5832%0.32429%0.292SS..THydrogen-bonded Turntrans-66.7-17.2164.6-78.50000114.2E178 S180 S184 G189E178-C182 WeakPolarHBondContact O-CB 3.3Å; E178-C182 PolarHBondContact O-N 2.59Å; E178-C182 PolarHBondContact O-SG 3.33Å; E178-C182 VanDerWaalsContact O-SG 3.34Å; S180-C182 VanDerWaalsContact C-N 3.31Å; S180-C182 PolarHBondContact O-N 3.17Å; C182-S184 PolarHBondContact O-N 3.39Å; C182-G189 VanDerWaalsContact CA-O 3.32Å; C182-G189 WeakPolarHBondContact CA-O 3.11Å
183K90.9Very high92.2Very high72 Ų7257.3 Ų57.331%0.31329%0.288SS..  trans-79.1108.3-173.5-66.8173.4-176.8174.60112.5L179 S180 F181 R185 N186 G188L179-K183 WeakPolarHBondContact O-CE 3.25Å; L179-K183 WeakPolarHBondContact O-CG 3.37Å; S180-K183 VanDerWaalsContact O-CB 3.29Å; S180-K183 WeakPolarHBondContact O-CB 3.35Å; S180-K183 PolarHBondContact O-N 3.2Å; F181-K183 PolarHBondContact O-N 2.85Å; K183-R185 HydrophobicContact CB-CG 4.26Å; K183-R185 PolarHBondContact O-N 2.85Å; K183-R185 VanDerWaalsContact O-N 3.14Å; K183-N186 PolarHBondContact O-N 3.25Å; K183-N186 VanDerWaalsContact O-N 3.09Å; K183-G188 WeakPolarHBondContact O-CA 3.34Å; K183-G188 PolarHBondContact O-N 2.95Å; K183-G188 VanDerWaalsContact O-N 3.14Å
184S86.6Confident92.3Very high96 Ų9657.5 Ų57.567%0.67129%0.29SS*.G310 helixtrans-58.9-28.6176.9-39.20000114C182 N186 G187 G188C182-S184 PolarHBondContact O-N 3.39Å; S184-N186 PolarHBondContact O-N 3.32Å; S184-N186 VanDerWaalsContact O-N 3.12Å; S184-G187 PolarHBondContact O-N 3.19Å; S184-G188 WeakPolarHBondContact CA-O 3.23Å
185R85.8Confident92.4Very high168 Ų16857.1 Ų57.163%0.63430%0.296SS*.G310 helixtrans-56.5-30.3176.878.3-175.2-177.2179.12.4113.2K183K183-R185 HydrophobicContact CB-CG 4.26Å; K183-R185 PolarHBondContact O-N 2.85Å; K183-R185 VanDerWaalsContact O-N 3.14Å
186N84.8Confident92.5Very high19 Ų1954.1 Ų54.110%0.10228%0.279CS..G310 helixtrans-94.71.1-179.9-72.3-12.9000112.3K183 S184 K219 Y222K183-N186 PolarHBondContact O-N 3.25Å; K183-N186 VanDerWaalsContact O-N 3.09Å; S184-N186 PolarHBondContact O-N 3.32Å; S184-N186 VanDerWaalsContact O-N 3.12Å; N186-K219 PolarHBondContact O-NZ 3.02Å; N186-Y222 HydrophobicContact CB-CE1 4.47Å; N186-Y222 HydrophobicContact CB-CE2 3.7Å; N186-Y222 WeakPolarHBondContact CB-OH 3.32Å; N186-Y222 PolarHBondContact ND2-OH 3.41Å
187G86.2Confident92.5Very high15 Ų1554.8 Ų54.816%0.15529%0.285CS..THydrogen-bonded Turntrans91.65.6-170.600000113.7S184 I216S184-G187 PolarHBondContact O-N 3.19Å; G187-I216 WeakPolarHBondContact O-CG1 3.47Å
188G89.2Confident92.4Very high9 Ų959.8 Ų59.89%0.09330%0.304CS..  trans-70.7177.8175.100000114.5F181 K183 S184F181-G188 CarbonylContact O-C 3.55Å; F181-G188 WeakPolarHBondContact O-CA 3.33Å; K183-G188 WeakPolarHBondContact O-CA 3.34Å; K183-G188 PolarHBondContact O-N 2.95Å; K183-G188 VanDerWaalsContact O-N 3.14Å; S184-G188 WeakPolarHBondContact CA-O 3.23Å
189G92.4Very high92.3Very high8 Ų865.5 Ų65.58%0.08233%0.331CS..  trans-166.6177-178.400000110.2F181 C182 V191F181-G189 PolarHBondContact O-N 3.41Å; C182-G189 VanDerWaalsContact CA-O 3.32Å; C182-G189 WeakPolarHBondContact CA-O 3.11Å; G189-V191 PolarHBondContact O-N 3.13Å
190E94.3Very high92.2Very high126 Ų12663.1 Ų63.159%0.58932%0.324SS*.  trans-54.2123.6-177.1-169.2171.5-178.600111.3F207 V208E190-F207 WeakPolarHBondContact O-CA 3.43Å; E190-V208 HydrophobicContact CB-CB 4.29Å; E190-V208 HydrophobicContact CB-CG2 4.22Å; E190-V208 HydrophobicContact CG-CB 4.37Å; E190-V208 HydrophobicContact CG-CG2 3.82Å; E190-V208 PolarHBondContact O-N 3.29Å
191V95.9Very high92.2Very high11 Ų1163.6 Ų63.67%0.06733%0.33CS..EExtended strand (participates in β ladder)trans-93.4127.8-179.6176.10000108E178 F181 G189 V194 I205 F207E178-V191 HydrophobicContact CG-CB 4.01Å; E178-V191 HydrophobicContact CG-CG1 3.95Å; F181-V191 HydrophobicContact CB-CG2 3.95Å; G189-V191 PolarHBondContact O-N 3.13Å; V191-V194 HydrophobicContact CG1-CG2 3.68Å; V191-I205 HydrophobicContact CG1-CG2 3.94Å; V191-I205 HydrophobicContact CG2-CG2 4.04Å; V191-F207 HydrophobicContact CG2-CD1 3.96Å; V191-F207 HydrophobicContact CG2-CE1 3.79Å
192D94.8Very high92.3Very high111 Ų11165.2 Ų65.259%0.59434%0.34SS*.EExtended strand (participates in β ladder)trans-83.2-45.6174.9-179.966.6000110.8T206 V208D192-T206 HydrophobicContact CB-CG2 4.23Å; D192-T206 PolarHBondContact N-O 2.84Å; D192-V208 HydrophobicContact CB-CG2 3.84Å
193H94.1Very high92.5Very high93 Ų9363.1 Ų63.143%0.43133%0.327SS..EExtended strand (participates in β ladder)trans-154.6145.8-176.9-173-91.5000112.4T206H193-T206 PolarHBondContact N-O 3.29Å; H193-T206 PolarHBondContact O-N 2.79Å
194V96.7Very high92.8Very high5 Ų561.1 Ų61.13%0.0332%0.321CS..EExtended strand (participates in β ladder)trans-121.5117.1169.9-178.60000109.3R174 L177 E178 V191 A203 I205R174-V194 WeakPolarHBondContact CD-O 3.35Å; R174-V194 HydrophobicContact CG-CB 3.85Å; R174-V194 HydrophobicContact CG-CG1 3.88Å; L177-V194 HydrophobicContact CB-CG1 4.06Å; L177-V194 HydrophobicContact CD1-CG1 4.17Å; E178-V194 HydrophobicContact CB-CG2 3.82Å; E178-V194 HydrophobicContact CG-CG2 4.3Å; V191-V194 HydrophobicContact CG1-CG2 3.68Å; V194-A203 HydrophobicContact CG1-CB 4.44Å; V194-I205 HydrophobicContact CG1-CG1 4.47Å; V194-I205 HydrophobicContact CG2-CG1 4.49Å; V194-I205 HydrophobicContact CG2-CG2 4.48Å
195D96.2Very high93.3Very high97 Ų9756.6 Ų56.652%0.51929%0.289SS..EExtended strand (participates in β ladder)trans-100.8106.4170.3-169.9-4.8000108.2A203 V204D195-A203 CarbonylContact O-C 3.53Å; D195-A203 WeakPolarHBondContact O-CA 3.5Å; D195-V204 HydrophobicContact CB-CB 4.27Å; D195-V204 PolarHBondContact N-O 3.35Å; D195-V204 PolarHBondContact O-N 3.26Å
196Y96.1Very high93.7Very high11 Ų1149.6 Ų49.64%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-110.8122.9-176.1172.7-123.8000110.2I164 E170 M173 L177 R198 S202 A203I164-Y196 HydrophobicContact CB-CE2 4.13Å; I164-Y196 HydrophobicContact CD1-CD2 3.98Å; I164-Y196 HydrophobicContact CD1-CE2 3.93Å; I164-Y196 HydrophobicContact CG2-CE2 3.83Å; E170-Y196 HydrophobicContact CG-CD1 4.01Å; E170-Y196 HydrophobicContact CG-CE1 4.33Å; M173-Y196 HydrophobicContact CB-CD1 4.06Å; M173-Y196 HydrophobicContact CB-CE1 3.67Å; M173-Y196 HydrophobicContact CG-CD1 3.95Å; M173-Y196 HydrophobicContact CG-CE1 3.49Å; M173-Y196 VanDerWaalsContact CG-CE1 3.49Å; M173-Y196 HydrophobicContact CG-CE2 4.16Å; M173-Y196 HydrophobicContact CG-CG 4.47Å; L177-Y196 HydrophobicContact CD1-CD2 3.9Å; L177-Y196 HydrophobicContact CD1-CG 4.05Å; Y196-R198 HydrophobicContact CE1-CB 3.95Å; Y196-R198 HydrophobicContact CE1-CG 4.35Å; Y196-S202 WeakPolarHBondContact CD2-O 3.34Å; Y196-A203 HydrophobicContact CD2-CB 4.04Å
197D94.9Very high94.2Very high70 Ų7048.7 Ų48.737%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-103.9109.8170.2174.522.1000110.1Q199 S200 G201 S202D197-Q199 VanDerWaalsContact C-N 3.32Å; D197-Q199 PolarHBondContact O-N 2.89Å; D197-Q199 PolarHBondContact OD1-N 2.61Å; D197-S200 WeakPolarHBondContact CB-OG 3.31Å; D197-S200 VanDerWaalsContact CG-OG 3.25Å; D197-S200 WeakPolarHBondContact OD2-CB 3.35Å; D197-S200 PolarHBondContact OD2-N 3.33Å; D197-S200 PolarHBondContact OD2-OG 2.91Å; D197-G201 PolarHBondContact O-N 2.82Å; D197-S202 PolarHBondContact N-O 3.22Å; D197-S202 PolarHBondContact O-N 3.11Å; D197-S202 VanDerWaalsContact O-N 3.13Å
198R92.6Very high94.4Very high105 Ų10551 Ų5140%0.39627%0.271SS..THydrogen-bonded Turntrans-65.5-32.7178.3-171.1176.2-177.3-167.9-1.8112.9D166 Y196 G201D166-R198 VanDerWaalsContact CG-NE 3.34Å; D166-R198 IonicContact OD1-CZ 3.51Å; D166-R198 IonicContact OD1-NE 3.29Å; D166-R198 PolarHBondContact OD1-NE 3.1Å; D166-R198 IonicContact OD1-NH2 2.92Å; D166-R198 PolarHBondContact OD1-NH2 3.38Å; D166-R198 IonicContact OD2-CZ 3.5Å; D166-R198 IonicContact OD2-NE 3.91Å; D166-R198 PolarHBondContact OD2-NE 3.39Å; D166-R198 IonicContact OD2-NH2 2.89Å; D166-R198 PolarHBondContact OD2-NH2 3.21Å; Y196-R198 HydrophobicContact CE1-CB 3.95Å; Y196-R198 HydrophobicContact CE1-CG 4.35Å; R198-G201 PolarHBondContact O-N 3.47Å
199Q92.1Very high94.4Very high192 Ų19256 Ų5690%0.89729%0.292SS*.THydrogen-bonded Turntrans-71.2-42.2-176-64.2-173.711.500111.8D197 G201D197-Q199 VanDerWaalsContact C-N 3.32Å; D197-Q199 PolarHBondContact O-N 2.89Å; D197-Q199 PolarHBondContact OD1-N 2.61Å; Q199-G201 VanDerWaalsContact C-N 3.34Å
200S92.4Very high93.9Very high66 Ų6660 Ų6046%0.46232%0.315SS..THydrogen-bonded Turntrans-84.6-6.9174.865.40000113.9D197 S202D197-S200 WeakPolarHBondContact CB-OG 3.31Å; D197-S200 VanDerWaalsContact CG-OG 3.25Å; D197-S200 WeakPolarHBondContact OD2-CB 3.35Å; D197-S200 PolarHBondContact OD2-N 3.33Å; D197-S200 PolarHBondContact OD2-OG 2.91Å; S200-S202 PolarHBondContact O-N 3.33Å; S200-S202 PolarHBondContact O-OG 3.37Å; S200-S202 VanDerWaalsContact O-OG 3.08Å; S200-S202 WeakPolarHBondContact OG-CB 3.41Å
201G94.1Very high93.4Very high14 Ų1454.9 Ų54.914%0.14430%0.296CS..THydrogen-bonded Turntrans59.335.6-175.700000112.2E163 I164 D197 R198 Q199E163-G201 PolarHBondContact N-O 2.9Å; I164-G201 WeakPolarHBondContact CB-O 3.38Å; I164-G201 WeakPolarHBondContact CG1-O 3.27Å; I164-G201 PolarHBondContact N-O 3.16Å; D197-G201 PolarHBondContact O-N 2.82Å; R198-G201 PolarHBondContact O-N 3.47Å; Q199-G201 VanDerWaalsContact C-N 3.34Å
202S96.1Very high93.1Very high33 Ų3354.5 Ų54.523%0.23129%0.293CS..EExtended strand (participates in β ladder)trans-131.8151.5-172-57.70000111.5V161 Y196 D197 S200V161-S202 CarbonylContact O-C 3.56Å; V161-S202 WeakPolarHBondContact O-CA 3.48Å; Y196-S202 WeakPolarHBondContact CD2-O 3.34Å; D197-S202 PolarHBondContact N-O 3.22Å; D197-S202 PolarHBondContact O-N 3.11Å; D197-S202 VanDerWaalsContact O-N 3.13Å; S200-S202 PolarHBondContact O-N 3.33Å; S200-S202 PolarHBondContact O-OG 3.37Å; S200-S202 VanDerWaalsContact O-OG 3.08Å; S200-S202 WeakPolarHBondContact OG-CB 3.41Å
203A96.6Very high92.9Very high4 Ų449.2 Ų49.23%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-137.9146176.400000111.8V161 I164 L177 V194 D195 Y196V161-A203 HydrophobicContact CB-CB 4.49Å; V161-A203 PolarHBondContact N-O 2.75Å; V161-A203 PolarHBondContact O-N 3.36Å; I164-A203 HydrophobicContact CD1-CB 3.5Å; I164-A203 VanDerWaalsContact CD1-CB 3.5Å; L177-A203 HydrophobicContact CD1-CB 3.88Å; V194-A203 HydrophobicContact CG1-CB 4.44Å; D195-A203 CarbonylContact O-C 3.53Å; D195-A203 WeakPolarHBondContact O-CA 3.5Å; Y196-A203 HydrophobicContact CD2-CB 4.04Å
204V97Very high92.6Very high31 Ų3148.1 Ų48.119%0.18826%0.263CS..EExtended strand (participates in β ladder)trans-102.2122.6165.6-173.50000108.5K158 I159 D195 Y238K158-V204 HydrophobicContact CB-CG1 4.43Å; K158-V204 HydrophobicContact CD-CG1 4.49Å; I159-V204 WeakPolarHBondContact O-CA 3.48Å; D195-V204 HydrophobicContact CB-CB 4.27Å; D195-V204 PolarHBondContact N-O 3.35Å; D195-V204 PolarHBondContact O-N 3.26Å; V204-Y238 HydrophobicContact CG1-CD2 3.58Å; V204-Y238 HydrophobicContact CG1-CE2 3.8Å; V204-Y238 HydrophobicContact CG1-CG 4.41Å; V204-Y238 HydrophobicContact CG2-CD2 4.18Å; V204-Y238 HydrophobicContact CG2-CE2 4.09Å
205I96.3Very high92.2Very high0 Ų053.6 Ų53.60%029%0.286CS..EExtended strand (participates in β ladder)trans-110.9124.4179.5-54.7-175.9000108.4K158 I159 V161 F181 V191 V194 F207K158-I205 VanDerWaalsContact CA-O 3.28Å; K158-I205 WeakPolarHBondContact CA-O 3.31Å; I159-I205 HydrophobicContact CD1-CB 4.43Å; I159-I205 HydrophobicContact CG1-CB 3.91Å; I159-I205 PolarHBondContact N-O 2.79Å; I159-I205 PolarHBondContact O-N 3.11Å; V161-I205 HydrophobicContact CG2-CD1 3.63Å; V161-I205 HydrophobicContact CG2-CG1 4.01Å; F181-I205 HydrophobicContact CB-CD1 4.02Å; F181-I205 HydrophobicContact CB-CG2 4.25Å; F181-I205 HydrophobicContact CD1-CD1 3.8Å; F181-I205 HydrophobicContact CD2-CD1 3.03Å; F181-I205 HydrophobicContact CE1-CD1 3.96Å; F181-I205 HydrophobicContact CE2-CD1 3.24Å; F181-I205 HydrophobicContact CG-CD1 3.33Å; F181-I205 HydrophobicContact CZ-CD1 3.71Å; V191-I205 HydrophobicContact CG1-CG2 3.94Å; V191-I205 HydrophobicContact CG2-CG2 4.04Å; V194-I205 HydrophobicContact CG1-CG1 4.47Å; V194-I205 HydrophobicContact CG2-CG1 4.49Å; V194-I205 HydrophobicContact CG2-CG2 4.48Å; I205-F207 HydrophobicContact CB-CZ 4.42Å; I205-F207 HydrophobicContact CG2-CE1 3.94Å; I205-F207 HydrophobicContact CG2-CE2 4.08Å; I205-F207 HydrophobicContact CG2-CZ 3.65Å
206T95.4Very high92Very high21 Ų2149 Ų4913%0.12926%0.261CS..EExtended strand (participates in β ladder)trans-105.8125.2177-53.30000109K158 D192 H193K158-T206 HydrophobicContact CG-CG2 4.02Å; D192-T206 HydrophobicContact CB-CG2 4.23Å; D192-T206 PolarHBondContact N-O 2.84Å; H193-T206 PolarHBondContact N-O 3.29Å; H193-T206 PolarHBondContact O-N 2.79Å
207F94.4Very high91.7Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-97.9151.3176.8-60.5-76.6000111.1M157 I159 F181 E190 V191 I205 V212 A213 I216M157-F207 WeakPolarHBondContact CE-O 3.2Å; M157-F207 VanDerWaalsContact O-CD2 3.29Å; M157-F207 WeakPolarHBondContact O-CD2 3.12Å; M157-F207 PolarHBondContact O-N 2.92Å; I159-F207 HydrophobicContact CD1-CE2 3.78Å; I159-F207 HydrophobicContact CD1-CZ 3.91Å; I159-F207 HydrophobicContact CG1-CE2 3.85Å; I159-F207 HydrophobicContact CG1-CZ 4.36Å; I159-F207 HydrophobicContact CG2-CE2 4.22Å; F181-F207 HydrophobicContact CB-CE1 4.13Å; F181-F207 HydrophobicContact CB-CZ 4.3Å; F181-F207 HydrophobicContact CD1-CZ 4.14Å; E190-F207 WeakPolarHBondContact O-CA 3.43Å; V191-F207 HydrophobicContact CG2-CD1 3.96Å; V191-F207 HydrophobicContact CG2-CE1 3.79Å; I205-F207 HydrophobicContact CB-CZ 4.42Å; I205-F207 HydrophobicContact CG2-CE1 3.94Å; I205-F207 HydrophobicContact CG2-CE2 4.08Å; I205-F207 HydrophobicContact CG2-CZ 3.65Å; F207-V212 HydrophobicContact CB-CB 4.17Å; F207-V212 HydrophobicContact CB-CG1 4.42Å; F207-V212 HydrophobicContact CD1-CB 4.2Å; F207-V212 HydrophobicContact CD1-CG1 3.52Å; F207-V212 HydrophobicContact CD2-CB 4.3Å; F207-V212 HydrophobicContact CD2-CG1 4.09Å; F207-V212 HydrophobicContact CE1-CG1 3.71Å; F207-V212 HydrophobicContact CE2-CG1 4.27Å; F207-V212 HydrophobicContact CG-CB 3.96Å; F207-V212 HydrophobicContact CG-CG1 3.74Å; F207-V212 HydrophobicContact CZ-CG1 4.11Å; F207-A213 HydrophobicContact CD2-CB 4.4Å; F207-I216 HydrophobicContact CE1-CD1 3.97Å; F207-I216 HydrophobicContact CE2-CD1 3.78Å; F207-I216 HydrophobicContact CZ-CD1 3.27Å
208V91.1Very high91.4Very high65 Ų6555.1 Ų55.139%0.39429%0.286SS..SBendtrans-72.7-39.4174.4-179.90000111.2M157 E190 D192M157-V208 WeakPolarHBondContact CE-O 3.47Å; E190-V208 HydrophobicContact CB-CB 4.29Å; E190-V208 HydrophobicContact CB-CG2 4.22Å; E190-V208 HydrophobicContact CG-CB 4.37Å; E190-V208 HydrophobicContact CG-CG2 3.82Å; E190-V208 PolarHBondContact O-N 3.29Å; D192-V208 HydrophobicContact CB-CG2 3.84Å
209E87.9Confident91Very high114 Ų11455.4 Ų55.453%0.53329%0.291SS..SBendtrans-97.6136.2-176.8-67.6-175.7176.700112.9V212E209-V212 HydrophobicContact CB-CG2 3.94Å
210T83.6Confident90.7Very high90 Ų9053.8 Ų53.855%0.55228%0.28SS*.THydrogen-bonded Turntrans-67.8142.5170.755.40000111M157M157-T210 HydrophobicContact CG-CG2 3.7Å; M157-T210 HydrophobicContact SD-CG2 3.8Å
211G82.8Confident90.6Very high19 Ų1954.1 Ų54.120%0.19628%0.275CS..THydrogen-bonded Turntrans88.8-8.8178.600000115.4K215G211-K215 WeakPolarHBondContact O-CG 3.39Å; G211-K215 PolarHBondContact O-N 3.33Å
212V89.4Confident90.5Very high3 Ų353.5 Ų53.52%0.01827%0.268CS..Hα-helixtrans-64.9-45.8167.5178.60000110.1F207 E209 D214 K215 I216F207-V212 HydrophobicContact CB-CB 4.17Å; F207-V212 HydrophobicContact CB-CG1 4.42Å; F207-V212 HydrophobicContact CD1-CB 4.2Å; F207-V212 HydrophobicContact CD1-CG1 3.52Å; F207-V212 HydrophobicContact CD2-CB 4.3Å; F207-V212 HydrophobicContact CD2-CG1 4.09Å; F207-V212 HydrophobicContact CE1-CG1 3.71Å; F207-V212 HydrophobicContact CE2-CG1 4.27Å; F207-V212 HydrophobicContact CG-CB 3.96Å; F207-V212 HydrophobicContact CG-CG1 3.74Å; F207-V212 HydrophobicContact CZ-CG1 4.11Å; E209-V212 HydrophobicContact CB-CG2 3.94Å; V212-D214 VanDerWaalsContact C-N 3.33Å; V212-D214 PolarHBondContact O-N 3.4Å; V212-K215 WeakPolarHBondContact O-CB 3.43Å; V212-K215 PolarHBondContact O-N 2.93Å; V212-K215 VanDerWaalsContact O-N 3.16Å; V212-I216 HydrophobicContact CG1-CD1 3.97Å; V212-I216 PolarHBondContact O-N 3.45Å
213A90.1Very high90.3Very high0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-53.5-48.9175.600000111.3K156 I159 F207 K215 I216 L217K156-A213 VanDerWaalsContact O-CB 3.3Å; K156-A213 WeakPolarHBondContact O-CB 3.5Å; I159-A213 HydrophobicContact CG2-CB 3.61Å; F207-A213 HydrophobicContact CD2-CB 4.4Å; A213-K215 VanDerWaalsContact C-N 3.31Å; A213-K215 PolarHBondContact O-N 2.58Å; A213-I216 PolarHBondContact O-N 3.22Å; A213-I216 VanDerWaalsContact O-N 3.11Å; A213-L217 HydrophobicContact CB-CD1 4.46Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 3.13Å
214D88.3Confident90.1Very high71 Ų7153.4 Ų53.438%0.3827%0.266SS..Hα-helixtrans-59.3-38.3-180-65.1-38.5000113.2V212 I216 K218V212-D214 VanDerWaalsContact C-N 3.33Å; V212-D214 PolarHBondContact O-N 3.4Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-K218 WeakPolarHBondContact O-CG 3.37Å; D214-K218 PolarHBondContact O-N 3.05Å
215K89.3Confident89.8Confident119 Ų11956.5 Ų56.552%0.51728%0.275SS..Hα-helixtrans-65-39.9177.7-70.4168.9-171.51670111.5G211 V212 A213G211-K215 WeakPolarHBondContact O-CG 3.39Å; G211-K215 PolarHBondContact O-N 3.33Å; V212-K215 WeakPolarHBondContact O-CB 3.43Å; V212-K215 PolarHBondContact O-N 2.93Å; V212-K215 VanDerWaalsContact O-N 3.16Å; A213-K215 VanDerWaalsContact C-N 3.31Å; A213-K215 PolarHBondContact O-N 2.58Å
216I91.3Very high89.4Confident0 Ų056.7 Ų56.70%028%0.276CS..Hα-helixtrans-71.7-47.4179-66.9165000110.2I159 F181 G187 F207 V212 A213 D214 K218 K219 Y222 V235I159-I216 HydrophobicContact CD1-CD1 4.09Å; I159-I216 HydrophobicContact CD1-CG2 3.82Å; F181-I216 HydrophobicContact CD1-CD1 4.04Å; F181-I216 HydrophobicContact CE1-CG2 4.36Å; G187-I216 WeakPolarHBondContact O-CG1 3.47Å; F207-I216 HydrophobicContact CE1-CD1 3.97Å; F207-I216 HydrophobicContact CE2-CD1 3.78Å; F207-I216 HydrophobicContact CZ-CD1 3.27Å; V212-I216 HydrophobicContact CG1-CD1 3.97Å; V212-I216 PolarHBondContact O-N 3.45Å; A213-I216 PolarHBondContact O-N 3.22Å; A213-I216 VanDerWaalsContact O-N 3.11Å; D214-I216 VanDerWaalsContact C-N 3.34Å; I216-K218 PolarHBondContact O-N 3.08Å; I216-K219 PolarHBondContact O-N 2.81Å; I216-Y222 HydrophobicContact CG1-CE2 4.4Å; I216-Y222 HydrophobicContact CG2-CD2 3.98Å; I216-V235 HydrophobicContact CG2-CB 4.11Å; I216-V235 HydrophobicContact CG2-CG1 3.97Å; I216-V235 HydrophobicContact CG2-CG2 3.86Å
217L90.8Very high88.9Confident34 Ų3462 Ų6218%0.17830%0.304CS..Hα-helixtrans-61.3-30-176.5-69.5172.1000113.2I159 A213 K219 K220 S236 P237I159-L217 HydrophobicContact CG2-CD1 4.19Å; I159-L217 HydrophobicContact CG2-CD2 4.02Å; I159-L217 HydrophobicContact CG2-CG 3.97Å; A213-L217 HydrophobicContact CB-CD1 4.46Å; A213-L217 WeakPolarHBondContact O-CB 3.5Å; A213-L217 WeakPolarHBondContact O-CG 3.47Å; A213-L217 PolarHBondContact O-N 3.13Å; L217-K219 PolarHBondContact O-N 3.46Å; L217-K219 VanDerWaalsContact O-N 3.16Å; L217-K220 PolarHBondContact O-N 3.34Å; L217-S236 WeakPolarHBondContact CD2-O 3.42Å; L217-P237 HydrophobicContact CD1-CB 4.08Å; L217-P237 HydrophobicContact CD2-CB 4.48Å
218K88.3Confident88.4Confident176 Ų17671.3 Ų71.377%0.76535%0.347SS*.THydrogen-bonded Turntrans-57.8-26.2173.1-78.4173.3-174.8-178.90113.8D214 I216D214-K218 WeakPolarHBondContact O-CG 3.37Å; D214-K218 PolarHBondContact O-N 3.05Å; I216-K218 PolarHBondContact O-N 3.08Å
219K84.4Confident88.2Confident112 Ų11271.9 Ų71.949%0.48735%0.351SS..THydrogen-bonded Turntrans-89.4-17.3-176.7-63.5-177.5-179.7176.50113.4N186 I216 L217 E221N186-K219 PolarHBondContact O-NZ 3.02Å; I216-K219 PolarHBondContact O-N 2.81Å; L217-K219 PolarHBondContact O-N 3.46Å; L217-K219 VanDerWaalsContact O-N 3.16Å; K219-E221 PolarHBondContact O-N 2.82Å
220K84.9Confident88.3Confident157 Ų15769.4 Ų69.468%0.68335%0.346SS*.SBendtrans57.6-31.2-174.9-62.4-172.8176.7-173.80116.6L217 V235L217-K220 PolarHBondContact O-N 3.34Å; K220-V235 VanDerWaalsContact C-CG2 3.47Å; K220-V235 WeakPolarHBondContact O-CG2 3.35Å; K220-V235 PolarHBondContact O-N 2.79Å
221E90.7Very high88.6Confident73 Ų7367.5 Ų67.534%0.34133%0.33SS..EExtended strand (participates in β ladder)trans-123.3141.5175-63.6-174.8-121.300109.8K219 R232 V233K219-E221 PolarHBondContact O-N 2.82Å; E221-R232 VanDerWaalsContact CD-CZ 3.45Å; E221-R232 IonicContact OE1-CZ 2.72Å; E221-R232 IonicContact OE1-NH1 3.93Å; E221-R232 IonicContact OE1-NH2 3.61Å; E221-R232 PolarHBondContact OE1-NH2 2.71Å; E221-R232 IonicContact OE2-CZ 3.13Å; E221-R232 IonicContact OE2-NE 3.75Å; E221-R232 PolarHBondContact OE2-NE 2.67Å; E221-R232 IonicContact OE2-NH1 2.76Å; E221-R232 PolarHBondContact OE2-NH1 3.08Å; E221-R232 IonicContact OE2-NH2 2.71Å; E221-R232 PolarHBondContact OE2-NH2 2.87Å; E221-V233 CarbonylContact C-O 3.59Å; E221-V233 WeakPolarHBondContact CA-O 3.33Å
222Y92.1Very high89.1Confident2 Ų274.5 Ų74.51%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-122.4131-177.3-169.3-81.2000110.7S180 F181 N186 I216 L224 V233S180-Y222 PolarHBondContact O-OH 3.08Å; F181-Y222 HydrophobicContact CD1-CD2 4.22Å; F181-Y222 HydrophobicContact CD1-CE1 4.26Å; F181-Y222 AromaticContact CD1-CE2 3.88Å; F181-Y222 HydrophobicContact CD1-CE2 3.88Å; F181-Y222 AromaticContact CD1-CZ 3.91Å; F181-Y222 HydrophobicContact CD2-CE1 4.5Å; F181-Y222 AromaticContact CE1-CD1 3.85Å; F181-Y222 HydrophobicContact CE1-CD1 3.85Å; F181-Y222 AromaticContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CD2 3.66Å; F181-Y222 HydrophobicContact CE1-CE1 4.05Å; F181-Y222 AromaticContact CE1-CE2 3.81Å; F181-Y222 HydrophobicContact CE1-CE2 3.81Å; F181-Y222 AromaticContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE1-CG 3.66Å; F181-Y222 HydrophobicContact CE2-CD1 4.2Å; F181-Y222 HydrophobicContact CE2-CE1 4.3Å; F181-Y222 HydrophobicContact CG-CE1 4.5Å; F181-Y222 AromaticContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD1 3.68Å; F181-Y222 HydrophobicContact CZ-CD2 4.28Å; F181-Y222 HydrophobicContact CZ-CE1 4.08Å; F181-Y222 AromaticContact CZ-CG 3.8Å; F181-Y222 HydrophobicContact CZ-CG 3.8Å; N186-Y222 HydrophobicContact CB-CE1 4.47Å; N186-Y222 HydrophobicContact CB-CE2 3.7Å; N186-Y222 WeakPolarHBondContact CB-OH 3.32Å; N186-Y222 PolarHBondContact ND2-OH 3.41Å; I216-Y222 HydrophobicContact CG1-CE2 4.4Å; I216-Y222 HydrophobicContact CG2-CD2 3.98Å; Y222-L224 PolarHBondContact O-N 2.82Å; Y222-V233 HydrophobicContact CD1-CG2 4.46Å; Y222-V233 PolarHBondContact N-O 2.89Å; Y222-V233 WeakPolarHBondContact O-CG2 3.49Å; Y222-V233 PolarHBondContact O-N 2.76Å
223P91.8Very high89.3Confident34 Ų3474.3 Ų74.322%0.22135%0.35CS..EExtended strand (participates in β ladder)trans-79109.417830.9-32.9000111.1Y225P223-Y225 HydrophobicContact CB-CE2 3.86Å; P223-Y225 HydrophobicContact CG-CE2 4.36Å
224L92.4Very high89.6Confident0 Ų076.4 Ų76.40%036%0.362CS..EExtended strand (participates in β ladder)trans-98.7109.9174.5-177.763.4000110.1I164 L177 Y222 I226 H231 V233I164-L224 HydrophobicContact CG2-CD2 4.42Å; L177-L224 HydrophobicContact CD2-CD1 4.18Å; L177-L224 HydrophobicContact CD2-CD2 3.95Å; Y222-L224 PolarHBondContact O-N 2.82Å; L224-I226 HydrophobicContact CD2-CD1 3.99Å; L224-I226 HydrophobicContact CD2-CG1 4.29Å; L224-I226 HydrophobicContact CG-CD1 4.27Å; L224-I226 HydrophobicContact CG-CG1 4.02Å; L224-H231 PolarHBondContact N-O 2.89Å; L224-H231 PolarHBondContact O-N 2.88Å; L224-V233 HydrophobicContact CB-CG1 4Å; L224-V233 HydrophobicContact CB-CG2 4.24Å; L224-V233 HydrophobicContact CD2-CG1 3.85Å
225Y89.9Confident89.9Confident96 Ų9673.4 Ų73.438%0.37635%0.347SS..EExtended strand (participates in β ladder)trans-93107.1-179.3-68-88.4000110.8K176 P223 T229 C230K176-Y225 WeakPolarHBondContact CE-O 3.31Å; K176-Y225 PolarHBondContact NZ-O 2.84Å; P223-Y225 HydrophobicContact CB-CE2 3.86Å; P223-Y225 HydrophobicContact CG-CE2 4.36Å; Y225-T229 CarbonylContact C-O 3.58Å; Y225-T229 WeakPolarHBondContact CA-O 3.42Å; Y225-C230 HydrophobicContact CD1-CB 3.78Å; Y225-C230 HydrophobicContact CE1-CB 3.61Å; Y225-C230 VanDerWaalsContact CE1-SG 3.55Å
226I88.4Confident90.2Very high4 Ų469.8 Ų69.82%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-107.4119.4176-55.3-179.6000108.2P165 T167 L168 M173 K176 L224 E228 T229P165-I226 HydrophobicContact CG-CD1 3.5Å; T167-I226 WeakPolarHBondContact OG1-CD1 3.33Å; L168-I226 HydrophobicContact CD1-CG2 3.79Å; L168-I226 HydrophobicContact CD2-CG2 4.38Å; L168-I226 HydrophobicContact CG-CG2 4Å; M173-I226 HydrophobicContact CE-CD1 3.71Å; M173-I226 HydrophobicContact SD-CD1 4.06Å; K176-I226 HydrophobicContact CG-CG1 4.39Å; L224-I226 HydrophobicContact CD2-CD1 3.99Å; L224-I226 HydrophobicContact CD2-CG1 4.29Å; L224-I226 HydrophobicContact CG-CD1 4.27Å; L224-I226 HydrophobicContact CG-CG1 4.02Å; I226-E228 PolarHBondContact O-N 2.74Å; I226-E228 VanDerWaalsContact O-N 3.16Å; I226-T229 PolarHBondContact N-O 2.71Å; I226-T229 PolarHBondContact O-N 3.48Å
227N84.3Confident90.2Very high132 Ų13272.6 Ų72.671%0.70636%0.355SS*.THydrogen-bonded Turntrans51-119.1-169.7-56-30.2000110.5
228E83.9Confident90.3Very high197 Ų19773.5 Ų73.592%0.92136%0.356SS*.THydrogen-bonded Turntrans-95.8-0.8178-60.2-177.2167.500113.2I226I226-E228 PolarHBondContact O-N 2.74Å; I226-E228 VanDerWaalsContact O-N 3.16Å
229T88.1Confident90.2Very high77 Ų7767.7 Ų67.747%0.47234%0.335SS..EExtended strand (participates in β ladder)trans-100.9137.4-175.6-51.60000111.1Y225 I226 H231Y225-T229 CarbonylContact C-O 3.58Å; Y225-T229 WeakPolarHBondContact CA-O 3.42Å; I226-T229 PolarHBondContact N-O 2.71Å; I226-T229 PolarHBondContact O-N 3.48Å; T229-H231 WeakPolarHBondContact CG2-NE2 3Å
230C89.1Confident90.3Very high62 Ų6265.5 Ų65.542%0.41933%0.327SS..EExtended strand (participates in β ladder)trans-101.7118.2173.1-173.50000109.5Y225Y225-C230 HydrophobicContact CD1-CB 3.78Å; Y225-C230 HydrophobicContact CE1-CB 3.61Å; Y225-C230 VanDerWaalsContact CE1-SG 3.55Å
231H90.9Very high90.2Very high49 Ų4963.5 Ų63.523%0.22732%0.322CS..EExtended strand (participates in β ladder)trans-104.1137.6173.3-59.1-88000109P165 L224 T229P165-H231 HydrophobicContact CG-CB 4.09Å; L224-H231 PolarHBondContact N-O 2.89Å; L224-H231 PolarHBondContact O-N 2.88Å; T229-H231 WeakPolarHBondContact CG2-NE2 3Å
232R92.5Very high89.8Confident166 Ų16663.2 Ų63.263%0.62632%0.321SS*.EExtended strand (participates in β ladder)trans-94.6113.7172.4-62.2-178.674.4-167.2-1.4106.8E221E221-R232 VanDerWaalsContact CD-CZ 3.45Å; E221-R232 IonicContact OE1-CZ 2.72Å; E221-R232 IonicContact OE1-NH1 3.93Å; E221-R232 IonicContact OE1-NH2 3.61Å; E221-R232 PolarHBondContact OE1-NH2 2.71Å; E221-R232 IonicContact OE2-CZ 3.13Å; E221-R232 IonicContact OE2-NE 3.75Å; E221-R232 PolarHBondContact OE2-NE 2.67Å; E221-R232 IonicContact OE2-NH1 2.76Å; E221-R232 PolarHBondContact OE2-NH1 3.08Å; E221-R232 IonicContact OE2-NH2 2.71Å; E221-R232 PolarHBondContact OE2-NH2 2.87Å
233V94.6Very high89.2Confident0 Ų069 Ų690%035%0.352CS..EExtended strand (participates in β ladder)trans-101.4146.3176.1-61.10000109.2V161 T162 I164 F181 E221 Y222 L224V161-V233 HydrophobicContact CG1-CB 3.83Å; V161-V233 HydrophobicContact CG1-CG2 3.52Å; T162-V233 WeakPolarHBondContact O-CB 3.31Å; I164-V233 HydrophobicContact CG1-CG1 4.38Å; F181-V233 HydrophobicContact CZ-CG2 4.45Å; E221-V233 CarbonylContact C-O 3.59Å; E221-V233 WeakPolarHBondContact CA-O 3.33Å; Y222-V233 HydrophobicContact CD1-CG2 4.46Å; Y222-V233 PolarHBondContact N-O 2.89Å; Y222-V233 WeakPolarHBondContact O-CG2 3.49Å; Y222-V233 PolarHBondContact O-N 2.76Å; L224-V233 HydrophobicContact CB-CG1 4Å; L224-V233 HydrophobicContact CB-CG2 4.24Å; L224-V233 HydrophobicContact CD2-CG1 3.85Å
234T95.7Very high88.7Confident43 Ų4373.6 Ų73.626%0.26436%0.364SS..EExtended strand (participates in β ladder)trans-86.3134.2-179.8-69.90000109.7V161 T162 E163V161-T234 CarbonylContact C-O 3.43Å; V161-T234 VanDerWaalsContact CA-O 3.31Å; V161-T234 WeakPolarHBondContact CA-O 3.36Å; T162-T234 PolarHBondContact N-O 2.84Å; T162-T234 PolarHBondContact O-N 2.83Å; T162-T234 VanDerWaalsContact O-N 3.08Å; T162-T234 WeakPolarHBondContact OG1-CB 3.17Å; E163-T234 WeakPolarHBondContact OE2-CB 3.43Å; E163-T234 PolarHBondContact OE2-OG1 3.49Å
235V95.3Very high88.2Confident9 Ų980 Ų806%0.05539%0.392CS..EExtended strand (participates in β ladder)trans-114.8133177.4-63.50000110.4I159 N160 V161 F181 I216 K220I159-V235 HydrophobicContact CD1-CG1 4.42Å; N160-V235 CarbonylContact O-C 3.26Å; N160-V235 WeakPolarHBondContact O-CA 3.31Å; V161-V235 HydrophobicContact CG1-CG1 4.43Å; V161-V235 HydrophobicContact CG2-CG1 4.19Å; F181-V235 HydrophobicContact CE1-CG1 4.27Å; F181-V235 HydrophobicContact CZ-CG1 4.32Å; I216-V235 HydrophobicContact CG2-CB 4.11Å; I216-V235 HydrophobicContact CG2-CG1 3.97Å; I216-V235 HydrophobicContact CG2-CG2 3.86Å; K220-V235 VanDerWaalsContact C-CG2 3.47Å; K220-V235 WeakPolarHBondContact O-CG2 3.35Å; K220-V235 PolarHBondContact O-N 2.79Å
236S94.4Very high87.7Confident42 Ų4281 Ų8129%0.29440%0.396SS..EExtended strand (participates in β ladder)trans-137.6155.218066.60000111.1N160 L217 Y238N160-S236 WeakPolarHBondContact CB-OG 3.42Å; N160-S236 PolarHBondContact N-O 2.79Å; N160-S236 PolarHBondContact O-N 3.49Å; L217-S236 WeakPolarHBondContact CD2-O 3.42Å; S236-Y238 PolarHBondContact O-N 2.78Å
237P91.9Very high87Confident59 Ų5985 Ų8538%0.38342%0.415SS..EExtended strand (participates in β ladder)trans-63.5137.4-179.223.6-32.2000110.8V154 L217 T239V154-P237 HydrophobicContact CG1-CB 3.79Å; L217-P237 HydrophobicContact CD1-CB 4.08Å; L217-P237 HydrophobicContact CD2-CB 4.48Å; P237-T239 PolarHBondContact O-N 2.81Å; P237-T239 PolarHBondContact O-OG1 2.85Å
238Y91.8Very high86.4Confident53 Ų5382.8 Ų82.821%0.20840%0.402CS..EExtended strand (participates in β ladder)trans-74.7118.6169.9-179-89.7000108.9S155 K158 N160 V204 S236 E240S155-Y238 PolarHBondContact N-O 3.18Å; K158-Y238 HydrophobicContact CB-CD1 3.85Å; K158-Y238 HydrophobicContact CB-CD2 4.39Å; K158-Y238 HydrophobicContact CB-CG 3.67Å; K158-Y238 HydrophobicContact CD-CD1 3.84Å; K158-Y238 HydrophobicContact CD-CE1 3.87Å; K158-Y238 HydrophobicContact CD-CG 4.23Å; K158-Y238 HydrophobicContact CG-CD1 4.48Å; K158-Y238 WeakPolarHBondContact O-CB 3.36Å; N160-Y238 WeakPolarHBondContact OD1-CD2 3.44Å; V204-Y238 HydrophobicContact CG1-CD2 3.58Å; V204-Y238 HydrophobicContact CG1-CE2 3.8Å; V204-Y238 HydrophobicContact CG1-CG 4.41Å; V204-Y238 HydrophobicContact CG2-CD2 4.18Å; V204-Y238 HydrophobicContact CG2-CE2 4.09Å; S236-Y238 PolarHBondContact O-N 2.78Å; Y238-E240 HydrophobicContact CD1-CG 4.35Å; Y238-E240 HydrophobicContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-OE1 3.31Å; Y238-E240 WeakPolarHBondContact CE1-OE1 3.38Å; Y238-E240 PolarHBondContact OH-OE1 3.15Å
239T88.1Confident85.9Confident54 Ų5475.1 Ų75.133%0.33137%0.366SS..EExtended strand (participates in β ladder)trans-125.9126.2-173.9-53.10000109.4I152 E153 V154 P237 I241I152-T239 HydrophobicContact CG2-CG2 3.23Å; E153-T239 CarbonylContact O-C 3.59Å; E153-T239 WeakPolarHBondContact O-CA 3.35Å; V154-T239 HydrophobicContact CG2-CG2 4.11Å; P237-T239 PolarHBondContact O-N 2.81Å; P237-T239 PolarHBondContact O-OG1 2.85Å; T239-I241 HydrophobicContact CG2-CG1 4.3Å
240E85.3Confident85Confident66 Ų6675.7 Ų75.731%0.30837%0.373SS..EExtended strand (participates in β ladder)trans-100.3133.4170.1-61.8-171.3-176.400109.7I152 E153 Y238 H242I152-E240 WeakPolarHBondContact CA-O 3.31Å; E153-E240 PolarHBondContact N-O 2.9Å; E153-E240 PolarHBondContact O-N 2.85Å; Y238-E240 HydrophobicContact CD1-CG 4.35Å; Y238-E240 HydrophobicContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-CG 3.48Å; Y238-E240 VanDerWaalsContact CE1-OE1 3.31Å; Y238-E240 WeakPolarHBondContact CE1-OE1 3.38Å; Y238-E240 PolarHBondContact OH-OE1 3.15Å; E240-H242 IonicContact OE2-CE1 2.72Å; E240-H242 IonicContact OE2-NE2 3.15Å; E240-H242 PolarHBondContact OE2-NE2 2.76Å; E240-H242 VanDerWaalsContact OE2-NE2 3.15Å
241I83.1Confident84.5Confident115 Ų11574.6 Ų74.659%0.5937%0.372SS*.EExtended strand (participates in β ladder)trans-116.6121179.4-56.7174.9000107.6V150 I152 T239V150-I241 HydrophobicContact CG1-CG2 3.79Å; I152-I241 HydrophobicContact CG1-CG1 4.47Å; T239-I241 HydrophobicContact CG2-CG1 4.3Å
242H81.8Confident84.1Confident68 Ų6876.4 Ų76.432%0.31539%0.387SS..EExtended strand (participates in β ladder)trans-119122.9-178.9-63.3-79.6000109.5Y151 E240Y151-H242 PolarHBondContact N-O 2.96Å; Y151-H242 PolarHBondContact O-N 2.81Å; E240-H242 IonicContact OE2-CE1 2.72Å; E240-H242 IonicContact OE2-NE2 3.15Å; E240-H242 PolarHBondContact OE2-NE2 2.76Å; E240-H242 VanDerWaalsContact OE2-NE2 3.15Å
243L80.7Confident83.7Confident124 Ų12469 Ų6965%0.64936%0.36SS*.EExtended strand (participates in β ladder)trans-83.1124.1168.4-74.6167.4000109.3F148 V150F148-L243 HydrophobicContact CD2-CD2 3.28Å; F148-L243 HydrophobicContact CE2-CD2 3.62Å; F148-L243 HydrophobicContact CG-CD2 4.09Å; V150-L243 HydrophobicContact CG2-CD2 3.97Å
244R80.4Confident83.3Confident129 Ų12974.1 Ų74.149%0.48738%0.383SS..EExtended strand (participates in β ladder)trans-128.5163.2-179.9-62.7-172.2179.1-171.53.1110.6Q149 Y246Q149-R244 PolarHBondContact N-O 3Å; Q149-R244 PolarHBondContact O-N 2.85Å; R244-Y246 PolarHBondContact O-N 3.48Å; R244-Y246 VanDerWaalsContact O-N 3.11Å
245K81.4Confident83Confident135 Ų13574.7 Ų74.759%0.58738%0.38SS*.EExtended strand (participates in β ladder)trans48.541.6173.9-54.9-168.9-167151.30113.6Q149 Q247Q149-K245 HydrophobicContact CG-CB 4.3Å; Q149-K245 HydrophobicContact CG-CD 4.39Å; Q149-K245 VanDerWaalsContact OE1-CD 3.26Å; Q149-K245 VanDerWaalsContact OE1-CE 3.26Å; K245-Q247 PolarHBondContact O-N 3.34Å
246Y80.2Confident82.8Confident118 Ų11874.4 Ų74.446%0.46338%0.378SS..EExtended strand (participates in β ladder)trans-63.6126.3173.1179.7-93.6000109.8I60 V146 R147 F148 R244 I248I60-Y246 VanDerWaalsContact CD1-OH 3.31Å; I60-Y246 WeakPolarHBondContact CD1-OH 3.5Å; V146-Y246 HydrophobicContact CB-CE2 3.98Å; V146-Y246 HydrophobicContact CG1-CE2 3.85Å; V146-Y246 VanDerWaalsContact CG1-OH 3.27Å; V146-Y246 WeakPolarHBondContact CG1-OH 3.36Å; R147-Y246 CarbonylContact O-C 3.58Å; R147-Y246 WeakPolarHBondContact O-CA 3.46Å; F148-Y246 HydrophobicContact CB-CD2 4.2Å; F148-Y246 HydrophobicContact CD1-CD2 4.45Å; R244-Y246 PolarHBondContact O-N 3.48Å; R244-Y246 VanDerWaalsContact O-N 3.11Å; Y246-I248 HydrophobicContact CE1-CD1 3.91Å; Y246-I248 HydrophobicContact CE1-CG1 3.56Å
247Q74.1Confident82.7Confident88 Ų8872.4 Ų72.441%0.41136%0.364SS..EExtended strand (participates in β ladder)trans-136.3129-177-70.1176.5-9.300108.1V146 R147 K245V146-Q247 WeakPolarHBondContact CA-O 3.23Å; R147-Q247 PolarHBondContact N-O 3.25Å; R147-Q247 PolarHBondContact O-N 2.87Å; K245-Q247 PolarHBondContact O-N 3.34Å
248I72.1Confident82.7Confident84 Ų8470 Ų7043%0.43135%0.348SS..EExtended strand (participates in β ladder)trans-93.5130.9167.4-58.8172.2000106.2G145 V146 Y246G145-I248 WeakPolarHBondContact O-CA 3.46Å; V146-I248 HydrophobicContact CG1-CG1 4.45Å; Y246-I248 HydrophobicContact CE1-CD1 3.91Å; Y246-I248 HydrophobicContact CE1-CG1 3.56Å
249F71.6Confident82.7Confident37 Ų3767.5 Ų67.516%0.16234%0.338CS..EExtended strand (participates in β ladder)trans-118.4135174.262-95.2000109.9V96 L142 S144 G145 R147 E307V96-F249 HydrophobicContact CG2-CE2 3.76Å; V96-F249 HydrophobicContact CG2-CZ 3.95Å; L142-F249 HydrophobicContact CD1-CD2 3.77Å; L142-F249 HydrophobicContact CD1-CE2 4.07Å; S144-F249 CarbonylContact C-O 3.58Å; S144-F249 WeakPolarHBondContact CA-O 2.97Å; G145-F249 VanDerWaalsContact C-CE1 3.41Å; G145-F249 PolarHBondContact N-O 2.89Å; G145-F249 WeakPolarHBondContact O-CD1 3.26Å; G145-F249 PolarHBondContact O-N 2.89Å; R147-F249 HydrophobicContact CB-CD1 4.18Å; R147-F249 HydrophobicContact CB-CE1 4.15Å; F249-E307 HydrophobicContact CE2-CB 4.37Å; F249-E307 HydrophobicContact CZ-CB 4.4Å
250S70.3Confident82.9Confident88 Ų8866 Ų6662%0.61533%0.329SS*.EExtended strand (participates in β ladder)trans-143.2145175.959.90000107.8
251G77.6Confident83Confident40 Ų4064.6 Ų64.641%0.41233%0.332SS..EExtended strand (participates in β ladder)trans142-131.6178.400000112.3P141 L142P141-G251 CarbonylContact C-O 3.59Å; P141-G251 WeakPolarHBondContact CA-O 3.36Å; L142-G251 PolarHBondContact N-O 2.76Å
252T83.3Confident83.1Confident86 Ų8659.2 Ų59.253%0.52831%0.305SS..EExtended strand (participates in β ladder)trans-112140176.952.70000110.2P139 V140 K254P139-T252 HydrophobicContact CB-CG2 4.12Å; V140-T252 CarbonylContact O-C 3.48Å; V140-T252 VanDerWaalsContact O-CA 3.29Å; V140-T252 WeakPolarHBondContact O-CA 3.48Å; T252-K254 PolarHBondContact O-N 2.81Å
253S84.6Confident83.1Confident10 Ų1063 Ų637%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-60.8136.4175.9-176.80000109.9V140 R255 T256 E307V140-S253 PolarHBondContact O-N 2.89Å; S253-R255 PolarHBondContact OG-N 2.94Å; S253-T256 WeakPolarHBondContact OG-CB 3.33Å; S253-T256 PolarHBondContact OG-N 3.21Å; S253-T256 PolarHBondContact OG-OG1 3.34Å; S253-E307 VanDerWaalsContact CA-OE2 3.25Å; S253-E307 WeakPolarHBondContact CA-OE2 3.46Å; S253-E307 VanDerWaalsContact CB-OE2 3.31Å; S253-E307 WeakPolarHBondContact CB-OE2 3.22Å; S253-E307 PolarHBondContact OG-OE2 3.03Å
254K86.6Confident82.9Confident109 Ų10960.6 Ų60.647%0.47433%0.328SS..EExtended strand (participates in β ladder)trans-88.5-22.1178.2-55-172.7176.3-168.90112.2E112 A115 T252 E307E112-K254 WeakPolarHBondContact CA-O 3.02Å; E112-K254 HydrophobicContact CB-CB 4.14Å; E112-K254 HydrophobicContact CG-CB 4.26Å; E112-K254 VanDerWaalsContact OE2-CD 3.31Å; E112-K254 WeakPolarHBondContact OE2-CD 3.36Å; E112-K254 IonicContact OE2-NZ 2.66Å; A115-K254 VanDerWaalsContact CB-O 3.3Å; A115-K254 WeakPolarHBondContact CB-O 3.35Å; T252-K254 PolarHBondContact O-N 2.81Å; K254-E307 VanDerWaalsContact CB-OE1 3.23Å; K254-E307 WeakPolarHBondContact CB-OE1 3.46Å; K254-E307 PolarHBondContact N-OE1 3.13Å; K254-E307 PolarHBondContact N-OE2 3.29Å
255R89Confident82.9Confident55 Ų5555.9 Ų55.921%0.20831%0.312CS..EExtended strand (participates in β ladder)trans-113.3-16.8-175.8-66.3-178.262.6-157.7-10.1113.9T108 F109 E110 E112 S253 D291T108-R255 WeakPolarHBondContact CA-O 3.18Å; T108-R255 HydrophobicContact CG2-CB 4.36Å; F109-R255 PolarHBondContact N-O 3.29Å; F109-R255 VanDerWaalsContact O-CZ 3.28Å; F109-R255 PolarHBondContact O-NE 2.74Å; F109-R255 PolarHBondContact O-NH2 3.16Å; E110-R255 VanDerWaalsContact CA-NH2 3.32Å; E110-R255 PolarHBondContact O-NE 3.24Å; E110-R255 PolarHBondContact O-NH2 2.98Å; E112-R255 HydrophobicContact CB-CG 4.18Å; S253-R255 PolarHBondContact OG-N 2.94Å; R255-D291 IonicContact NH2-OD2 2.71Å
256T90Very high82.7Confident2 Ų258.5 Ų58.51%0.01233%0.326CS..EExtended strand (participates in β ladder)trans-109.5136.1-176.1-45.70000111.8L106 I107 T108 V140 S253 F305L106-T256 HydrophobicContact CB-CG2 4.23Å; L106-T256 HydrophobicContact CD2-CG2 3.79Å; I107-T256 CarbonylContact O-C 3.59Å; I107-T256 WeakPolarHBondContact O-CA 3.41Å; T108-T256 PolarHBondContact OG1-OG1 3.24Å; V140-T256 HydrophobicContact CG2-CG2 4.08Å; V140-T256 WeakPolarHBondContact CG2-O 3.36Å; S253-T256 WeakPolarHBondContact OG-CB 3.33Å; S253-T256 PolarHBondContact OG-N 3.21Å; S253-T256 PolarHBondContact OG-OG1 3.34Å; T256-F305 HydrophobicContact CG2-CB 4.19Å; T256-F305 HydrophobicContact CG2-CD2 4.16Å; T256-F305 HydrophobicContact CG2-CG 4.16Å; T256-F305 VanDerWaalsContact OG1-CD2 3.29Å; T256-F305 WeakPolarHBondContact OG1-CD2 3.18Å
257V92.1Very high82.8Confident0 Ų054.7 Ų54.70%031%0.313CS..EExtended strand (participates in β ladder)trans-121.7135.7-179.7-177.80000110.2L106 I107 F109 A115 V118 V119 A137 L259L106-V257 WeakPolarHBondContact CA-O 3.13Å; I107-V257 HydrophobicContact CG2-CB 3.85Å; I107-V257 PolarHBondContact N-O 3.5Å; I107-V257 PolarHBondContact O-N 2.86Å; F109-V257 HydrophobicContact CD2-CG2 4.32Å; F109-V257 HydrophobicContact CE2-CB 4.44Å; F109-V257 HydrophobicContact CE2-CG2 3.92Å; A115-V257 HydrophobicContact CB-CG2 3.77Å; V118-V257 HydrophobicContact CG1-CG1 4.13Å; V118-V257 HydrophobicContact CG1-CG2 4.48Å; V119-V257 HydrophobicContact CG2-CB 4.31Å; V119-V257 HydrophobicContact CG2-CG1 3.75Å; V119-V257 HydrophobicContact CG2-CG2 3.73Å; A137-V257 HydrophobicContact CB-CG1 3.75Å; V257-L259 HydrophobicContact CG1-CD2 4.36Å
258L92.6Very high83.3Confident10 Ų1054.7 Ų54.75%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-87.2123.4171.7-178.168.5000109.4Y98 L100 Q104 L106 A137 K138 V140 T260Y98-L258 HydrophobicContact CE1-CD1 3.96Å; Y98-L258 WeakPolarHBondContact OH-CD2 3.38Å; L100-L258 HydrophobicContact CD2-CD1 4.28Å; Q104-L258 HydrophobicContact CB-CD1 4.17Å; L106-L258 HydrophobicContact CD2-CB 4.46Å; L106-L258 HydrophobicContact CD2-CD1 4.15Å; A137-L258 CarbonylContact C-O 3.44Å; A137-L258 WeakPolarHBondContact CA-O 2.65Å; K138-L258 HydrophobicContact CB-CB 4.38Å; K138-L258 PolarHBondContact N-O 3.16Å; K138-L258 PolarHBondContact O-N 3.31Å; V140-L258 HydrophobicContact CG2-CB 3.89Å; L258-T260 HydrophobicContact CD2-CG2 3.81Å; L258-T260 HydrophobicContact CG-CG2 3.84Å
259L92.9Very high84.1Confident0 Ų053.6 Ų53.60%031%0.309CS..EExtended strand (participates in β ladder)trans-100.6128.1171.8-62.4-179.9000108.8Q104 A105 I107 V135 T136 A137 V257 M262 I276 F280Q104-L259 CarbonylContact C-O 3.55Å; Q104-L259 VanDerWaalsContact CA-O 3.28Å; Q104-L259 WeakPolarHBondContact CA-O 3.29Å; A105-L259 HydrophobicContact CB-CB 4.22Å; A105-L259 PolarHBondContact N-O 2.69Å; A105-L259 WeakPolarHBondContact O-CB 3.31Å; A105-L259 PolarHBondContact O-N 3.17Å; I107-L259 HydrophobicContact CB-CD1 4.4Å; I107-L259 HydrophobicContact CG2-CD1 3.88Å; I107-L259 HydrophobicContact CG2-CD2 4.45Å; I107-L259 HydrophobicContact CG2-CG 4Å; V135-L259 HydrophobicContact CG1-CB 3.61Å; V135-L259 HydrophobicContact CG1-CD1 4.47Å; V135-L259 HydrophobicContact CG1-CD2 3.9Å; V135-L259 HydrophobicContact CG1-CG 4.18Å; T136-L259 WeakPolarHBondContact O-CA 3.42Å; A137-L259 HydrophobicContact CB-CD2 4.05Å; V257-L259 HydrophobicContact CG1-CD2 4.36Å; L259-M262 HydrophobicContact CB-CE 3.79Å; L259-M262 HydrophobicContact CB-SD 4.33Å; L259-M262 WeakPolarHBondContact O-CE 3.27Å; L259-I276 HydrophobicContact CD1-CG2 3.6Å; L259-F280 HydrophobicContact CD1-CD2 4.17Å; L259-F280 HydrophobicContact CD1-CE2 3.51Å; L259-F280 HydrophobicContact CD1-CZ 4.12Å; L259-F280 HydrophobicContact CD2-CE2 4.02Å; L259-F280 HydrophobicContact CD2-CZ 3.74Å; L259-F280 HydrophobicContact CG-CE2 4.43Å
260T91.6Very high84.9Confident21 Ų2158.9 Ų58.913%0.12933%0.334CS..EExtended strand (participates in β ladder)trans-127.6156.8179.958.70000110.9Q104 V135 T136 L258Q104-T260 HydrophobicContact CG-CG2 4.2Å; V135-T260 CarbonylContact C-O 3.59Å; V135-T260 WeakPolarHBondContact CA-O 3.5Å; V135-T260 WeakPolarHBondContact CG1-O 3.41Å; T136-T260 PolarHBondContact N-O 2.91Å; T136-T260 PolarHBondContact O-N 3.07Å; T136-T260 PolarHBondContact O-OG1 3.36Å; L258-T260 HydrophobicContact CD2-CG2 3.81Å; L258-T260 HydrophobicContact CG-CG2 3.84Å
261G86.9Confident85.8Confident37 Ų3756.7 Ų56.738%0.38132%0.319SS..  trans96.221.3-178.900000113.8L133 E263L133-G261 WeakPolarHBondContact CD1-O 3.5Å; G261-E263 VanDerWaalsContact C-N 3.31Å
262M84.9Confident86.3Confident2 Ų254.8 Ų54.81%0.0130%0.299CS..  trans-97.530.3178.2-63.5168.6-62.700112.7G103 A105 L133 V135 L259 I265 I276 L297G103-M262 WeakPolarHBondContact O-CB 3.41Å; G103-M262 PolarHBondContact O-N 3.23Å; A105-M262 HydrophobicContact CB-CE 3.31Å; A105-M262 HydrophobicContact CB-SD 3.98Å; L133-M262 HydrophobicContact CD2-CB 4.23Å; L133-M262 HydrophobicContact CD2-CG 3.81Å; V135-M262 HydrophobicContact CG1-CG 4.38Å; V135-M262 HydrophobicContact CG1-SD 4.33Å; V135-M262 HydrophobicContact CG2-CG 3.88Å; V135-M262 HydrophobicContact CG2-SD 4.42Å; L259-M262 HydrophobicContact CB-CE 3.79Å; L259-M262 HydrophobicContact CB-SD 4.33Å; L259-M262 WeakPolarHBondContact O-CE 3.27Å; M262-I265 HydrophobicContact CB-CD1 3.76Å; M262-I265 HydrophobicContact CG-CD1 4.33Å; M262-I276 HydrophobicContact SD-CD1 3.54Å; M262-I276 VanDerWaalsContact SD-CD1 3.54Å; M262-I276 HydrophobicContact SD-CG1 4.49Å; M262-L297 HydrophobicContact CB-CD2 4.41Å
263E82.1Confident86.7Confident147 Ų14751.8 Ų51.869%0.68728%0.279SS*.THydrogen-bonded Turntrans-74.5144.3177.5-65.4175.4-162.500111.4G261G261-E263 VanDerWaalsContact C-N 3.31Å
264G76Confident87Confident74 Ų7456.1 Ų56.176%0.76330%0.301SS*.THydrogen-bonded Turntrans80.912172.700000115.5Q266G264-Q266 PolarHBondContact O-N 3.35Å
265I81.1Confident87.2Confident30 Ų3053.2 Ų53.215%0.15429%0.291CS..  trans-73.7123.6172.3-56.3173.5000109.4I128 L133 M262 M267 V272 L297I128-I265 HydrophobicContact CD1-CD1 3.71Å; L133-I265 HydrophobicContact CD2-CD1 3.64Å; L133-I265 HydrophobicContact CD2-CG1 4.16Å; M262-I265 HydrophobicContact CB-CD1 3.76Å; M262-I265 HydrophobicContact CG-CD1 4.33Å; I265-M267 HydrophobicContact CG2-CB 3.84Å; I265-M267 HydrophobicContact CG2-CG 4.1Å; I265-M267 PolarHBondContact O-N 2.77Å; I265-V272 HydrophobicContact CD1-CG1 4.15Å; I265-V272 HydrophobicContact CD1-CG2 4.44Å; I265-V272 HydrophobicContact CG2-CG2 3.75Å; I265-L297 HydrophobicContact CB-CD2 4.4Å; I265-L297 HydrophobicContact CD1-CD2 4.02Å; I265-L297 HydrophobicContact CG2-CD1 4.45Å
266Q77.3Confident87.3Confident190 Ų19050.6 Ų50.689%0.88828%0.281SS*.  trans-98.464.3173.7-63.1-175.419.800110.3G264G264-Q266 PolarHBondContact O-N 3.35Å
267M81.3Confident87.3Confident38 Ų3852.4 Ų52.419%0.18729%0.291CS..SBendtrans-143.5159.1177-67.3-17556.100109.3I128 K129 I265 V272 L275I128-M267 HydrophobicContact CG2-SD 3.72Å; K129-M267 HydrophobicContact CD-CE 4.44Å; K129-M267 HydrophobicContact CD-SD 3.7Å; K129-M267 WeakPolarHBondContact CE-SD 3.42Å; K129-M267 HydrophobicContact CG-SD 4.05Å; I265-M267 HydrophobicContact CG2-CB 3.84Å; I265-M267 HydrophobicContact CG2-CG 4.1Å; I265-M267 PolarHBondContact O-N 2.77Å; M267-V272 HydrophobicContact CB-CG2 3.87Å; M267-L275 HydrophobicContact CE-CD1 4.1Å
268D86.6Confident87.3Confident89 Ų8956.6 Ų56.648%0.47631%0.312SS..  trans-65.6149.9169.557-80.1000111.4E270 S271 V272D268-E270 VanDerWaalsContact C-N 3.33Å; D268-E270 PolarHBondContact O-N 2.86Å; D268-S271 PolarHBondContact O-N 2.9Å; D268-S271 PolarHBondContact OD1-OG 3.16Å; D268-S271 WeakPolarHBondContact OD2-CB 3.23Å; D268-S271 PolarHBondContact OD2-N 3.09Å; D268-S271 PolarHBondContact OD2-OG 3.46Å; D268-V272 PolarHBondContact O-N 2.84Å
269E87.7Confident87.2Confident60 Ų6057.1 Ų57.128%0.2831%0.314SS..Hα-helixtrans-61.4-40-177-67.7-179.6158.200111.7S271 V272 E273 C295 S296 L297E269-S271 PolarHBondContact O-N 3.18Å; E269-V272 PolarHBondContact O-N 2.97Å; E269-V272 VanDerWaalsContact O-N 3.16Å; E269-E273 WeakPolarHBondContact O-CB 3.27Å; E269-E273 VanDerWaalsContact O-CG 3.28Å; E269-E273 WeakPolarHBondContact O-CG 3.28Å; E269-E273 PolarHBondContact O-N 3.16Å; E269-C295 PolarHBondContact O-SG 3.14Å; E269-S296 WeakPolarHBondContact OE1-CA 3.14Å; E269-L297 HydrophobicContact CG-CB 4.13Å; E269-L297 HydrophobicContact CG-CD1 4Å; E269-L297 HydrophobicContact CG-CG 3.98Å; E269-L297 PolarHBondContact OE1-N 2.79Å
270E88.4Confident87.2Confident149 Ų14957.1 Ų57.170%0.69631%0.314SS*.Hα-helixtrans-59.4-46.2178.4-66.4-174.8172.800112.1D268 V272 E273 D274D268-E270 VanDerWaalsContact C-N 3.33Å; D268-E270 PolarHBondContact O-N 2.86Å; E270-V272 VanDerWaalsContact C-N 3.29Å; E270-V272 PolarHBondContact O-N 3.34Å; E270-E273 WeakPolarHBondContact O-CB 3.36Å; E270-E273 PolarHBondContact O-N 2.72Å; E270-D274 PolarHBondContact O-N 2.99Å
271S88.6Confident87.2Confident41 Ų4161 Ų6129%0.28733%0.331SS..Hα-helixtrans-64.4-34.9177.3-66.10000112.6D268 E269 L275D268-S271 PolarHBondContact O-N 2.9Å; D268-S271 PolarHBondContact OD1-OG 3.16Å; D268-S271 WeakPolarHBondContact OD2-CB 3.23Å; D268-S271 PolarHBondContact OD2-N 3.09Å; D268-S271 PolarHBondContact OD2-OG 3.46Å; E269-S271 PolarHBondContact O-N 3.18Å; S271-L275 VanDerWaalsContact O-CG 3.25Å; S271-L275 WeakPolarHBondContact O-CG 3.3Å; S271-L275 PolarHBondContact O-N 3.36Å
272V88.8Confident87.3Confident0 Ų065.2 Ų65.20%034%0.335CS..Hα-helixtrans-72.9-40.7176.9174.90000110.7I128 I265 M267 D268 E269 E270 D274 L275 I276 L297I128-V272 HydrophobicContact CD1-CG1 4.48Å; I265-V272 HydrophobicContact CD1-CG1 4.15Å; I265-V272 HydrophobicContact CD1-CG2 4.44Å; I265-V272 HydrophobicContact CG2-CG2 3.75Å; M267-V272 HydrophobicContact CB-CG2 3.87Å; D268-V272 PolarHBondContact O-N 2.84Å; E269-V272 PolarHBondContact O-N 2.97Å; E269-V272 VanDerWaalsContact O-N 3.16Å; E270-V272 VanDerWaalsContact C-N 3.29Å; E270-V272 PolarHBondContact O-N 3.34Å; V272-D274 VanDerWaalsContact C-N 3.32Å; V272-D274 PolarHBondContact O-N 3.21Å; V272-L275 PolarHBondContact O-N 2.89Å; V272-I276 HydrophobicContact CG1-CD1 3.73Å; V272-I276 HydrophobicContact CG1-CG1 4.31Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 VanDerWaalsContact O-CG1 3.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 3.35Å; V272-L297 HydrophobicContact CB-CD1 3.99Å; V272-L297 HydrophobicContact CG1-CD1 4.32Å; V272-L297 HydrophobicContact CG2-CD1 3.64Å
273E91.5Very high87.4Confident24 Ų2469.3 Ų69.311%0.11237%0.369CS..Hα-helixtrans-56-46.3172.7-73.8175.7-175.400111E269 E270 L275 I276 N277 V293 K294 C295E269-E273 WeakPolarHBondContact O-CB 3.27Å; E269-E273 VanDerWaalsContact O-CG 3.28Å; E269-E273 WeakPolarHBondContact O-CG 3.28Å; E269-E273 PolarHBondContact O-N 3.16Å; E270-E273 WeakPolarHBondContact O-CB 3.36Å; E270-E273 PolarHBondContact O-N 2.72Å; E273-L275 PolarHBondContact O-N 3.37Å; E273-I276 PolarHBondContact O-N 2.87Å; E273-N277 VanDerWaalsContact O-CB 3.26Å; E273-N277 WeakPolarHBondContact O-CB 3.38Å; E273-N277 PolarHBondContact O-N 2.86Å; E273-V293 HydrophobicContact CB-CB 4.25Å; E273-V293 HydrophobicContact CB-CG1 4.17Å; E273-V293 HydrophobicContact CG-CB 4.39Å; E273-V293 HydrophobicContact CG-CG1 4.08Å; E273-K294 VanDerWaalsContact CD-NZ 3.35Å; E273-K294 VanDerWaalsContact OE1-CA 3.29Å; E273-K294 WeakPolarHBondContact OE1-CA 3.38Å; E273-K294 IonicContact OE1-NZ 2.83Å; E273-K294 PolarHBondContact OE1-NZ 2.84Å; E273-K294 IonicContact OE2-NZ 3.9Å; E273-K294 PolarHBondContact OE2-NZ 3.09Å; E273-C295 HydrophobicContact CG-CB 4.22Å; E273-C295 PolarHBondContact OE1-N 3.14Å
274D91Very high87.6Confident100 Ų10069.8 Ų69.854%0.53537%0.369SS..Hα-helixtrans-62.3-43.2177.2-83.8-13.9000112.8E270 V272 N277 I278E270-D274 PolarHBondContact O-N 2.99Å; V272-D274 VanDerWaalsContact C-N 3.32Å; V272-D274 PolarHBondContact O-N 3.21Å; D274-N277 WeakPolarHBondContact O-CB 3.13Å; D274-N277 PolarHBondContact O-N 2.95Å; D274-I278 WeakPolarHBondContact O-CB 3.27Å; D274-I278 WeakPolarHBondContact O-CD1 3.46Å; D274-I278 VanDerWaalsContact O-CG1 3.25Å; D274-I278 WeakPolarHBondContact O-CG1 3.2Å; D274-I278 PolarHBondContact O-N 3.11Å
275L90.5Very high88.2Confident48 Ų4867.4 Ų67.425%0.25134%0.339SS..Hα-helixtrans-67-39.6178.8-71.8170.3000112I128 M267 S271 V272 E273 H279I128-L275 HydrophobicContact CB-CD1 4.38Å; I128-L275 HydrophobicContact CG1-CD1 4.43Å; I128-L275 HydrophobicContact CG2-CD1 3.86Å; M267-L275 HydrophobicContact CE-CD1 4.1Å; S271-L275 VanDerWaalsContact O-CG 3.25Å; S271-L275 WeakPolarHBondContact O-CG 3.3Å; S271-L275 PolarHBondContact O-N 3.36Å; V272-L275 PolarHBondContact O-N 2.89Å; E273-L275 PolarHBondContact O-N 3.37Å; L275-H279 WeakPolarHBondContact O-CB 3.39Å; L275-H279 PolarHBondContact O-N 3.28Å
276I90.7Very high88.4Confident1 Ų166.8 Ų66.81%0.00534%0.34CS..Hα-helixtrans-63-48.2173.3-70.6169.6000109.5A105 I107 L259 M262 V272 E273 I278 H279 F280 V293A105-I276 HydrophobicContact CB-CD1 4.03Å; I107-I276 HydrophobicContact CD1-CG2 4.19Å; L259-I276 HydrophobicContact CD1-CG2 3.6Å; M262-I276 HydrophobicContact SD-CD1 3.54Å; M262-I276 VanDerWaalsContact SD-CD1 3.54Å; M262-I276 HydrophobicContact SD-CG1 4.49Å; V272-I276 HydrophobicContact CG1-CD1 3.73Å; V272-I276 HydrophobicContact CG1-CG1 4.31Å; V272-I276 WeakPolarHBondContact O-CB 3.38Å; V272-I276 VanDerWaalsContact O-CG1 3.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.34Å; V272-I276 PolarHBondContact O-N 3.35Å; E273-I276 PolarHBondContact O-N 2.87Å; I276-I278 PolarHBondContact O-N 3.33Å; I276-H279 WeakPolarHBondContact O-CB 3.29Å; I276-H279 PolarHBondContact O-N 3.47Å; I276-H279 VanDerWaalsContact O-N 3.13Å; I276-F280 HydrophobicContact CG2-CD2 3.71Å; I276-F280 HydrophobicContact CG2-CE2 4Å; I276-F280 VanDerWaalsContact O-CD2 3.29Å; I276-F280 WeakPolarHBondContact O-CD2 3.39Å; I276-F280 PolarHBondContact O-N 3.32Å; I276-V293 HydrophobicContact CB-CG1 4.16Å; I276-V293 HydrophobicContact CG2-CG1 3.75Å
277N91.6Very high88.9Confident39 Ų3958.2 Ų58.221%0.20930%0.302CS..Hα-helixtrans-54.8-53.6177.8-171-1.8000110.9E273 D274 H279 F280 Q281 V290 V293E273-N277 VanDerWaalsContact O-CB 3.26Å; E273-N277 WeakPolarHBondContact O-CB 3.38Å; E273-N277 PolarHBondContact O-N 2.86Å; D274-N277 WeakPolarHBondContact O-CB 3.13Å; D274-N277 PolarHBondContact O-N 2.95Å; N277-H279 VanDerWaalsContact C-N 3.27Å; N277-H279 PolarHBondContact O-N 2.98Å; N277-F280 CarbonylContact O-C 3.49Å; N277-F280 PolarHBondContact O-N 2.79Å; N277-Q281 WeakPolarHBondContact O-CG 3.48Å; N277-Q281 PolarHBondContact O-N 2.86Å; N277-Q281 PolarHBondContact OD1-NE2 3.04Å; N277-V290 VanDerWaalsContact OD1-CB 3.31Å; N277-V290 WeakPolarHBondContact OD1-CB 3.04Å; N277-V293 HydrophobicContact CB-CG2 3.95Å
278I90.8Very high89.3Confident89 Ų8957.2 Ų57.246%0.45630%0.302SS..Hα-helixtrans-61-35.7178.5-66.9164.3000112.1D274 I276D274-I278 WeakPolarHBondContact O-CB 3.27Å; D274-I278 WeakPolarHBondContact O-CD1 3.46Å; D274-I278 VanDerWaalsContact O-CG1 3.25Å; D274-I278 WeakPolarHBondContact O-CG1 3.2Å; D274-I278 PolarHBondContact O-N 3.11Å; I276-I278 PolarHBondContact O-N 3.33Å
279H90.6Very high89.5Confident20 Ų2059 Ų599%0.09331%0.307CS..Hα-helixtrans-65.6-47.7177.4-175.690.2000111.4Q125 V126 L275 I276 N277 R282 N285Q125-H279 PolarHBondContact O-CE1 2.96Å; V126-H279 HydrophobicContact CG1-CB 4.11Å; L275-H279 WeakPolarHBondContact O-CB 3.39Å; L275-H279 PolarHBondContact O-N 3.28Å; I276-H279 WeakPolarHBondContact O-CB 3.29Å; I276-H279 PolarHBondContact O-N 3.47Å; I276-H279 VanDerWaalsContact O-N 3.13Å; N277-H279 VanDerWaalsContact C-N 3.27Å; N277-H279 PolarHBondContact O-N 2.98Å; H279-R282 PolarHBondContact O-N 3.38Å; H279-N285 PolarHBondContact CE1-ND2 3Å; H279-N285 VanDerWaalsContact CE1-ND2 3.27Å; H279-N285 PolarHBondContact NE2-ND2 3.25Å; H279-N285 PolarHBondContact O-ND2 3.41Å
280F92.6Very high89.6Confident0 Ų057 Ų570%030%0.299CS..Hα-helixtrans-87.3-1.3-176.1-71.7-72.9000114.3I107 F109 V118 H124 V126 L259 I276 N277 R282 G287 G288 V290I107-F280 HydrophobicContact CD1-CB 3.46Å; I107-F280 VanDerWaalsContact CD1-CB 3.46Å; I107-F280 HydrophobicContact CD1-CD2 3.79Å; I107-F280 HydrophobicContact CD1-CG 3.8Å; F109-F280 HydrophobicContact CE1-CB 3.98Å; F109-F280 HydrophobicContact CZ-CB 3.98Å; F109-F280 HydrophobicContact CZ-CD1 4.36Å; F109-F280 HydrophobicContact CZ-CG 4.32Å; V118-F280 HydrophobicContact CG1-CD1 3.95Å; V118-F280 HydrophobicContact CG1-CE1 3.58Å; V118-F280 HydrophobicContact CG1-CZ 4.44Å; V118-F280 HydrophobicContact CG2-CD1 3.96Å; V118-F280 HydrophobicContact CG2-CE1 4.34Å; H124-F280 HydrophobicContact CB-CE1 4.29Å; H124-F280 HydrophobicContact CB-CZ 3.99Å; H124-F280 AromaticContact CD2-CE1 3.9Å; H124-F280 AromaticContact CE1-CE1 3.81Å; H124-F280 AromaticContact CG-CE1 3.68Å; H124-F280 AromaticContact CG-CZ 3.82Å; H124-F280 AromaticContact ND1-CE1 3.65Å; H124-F280 AromaticContact NE2-CE1 3.97Å; V126-F280 HydrophobicContact CG2-CE2 4.36Å; L259-F280 HydrophobicContact CD1-CD2 4.17Å; L259-F280 HydrophobicContact CD1-CE2 3.51Å; L259-F280 HydrophobicContact CD1-CZ 4.12Å; L259-F280 HydrophobicContact CD2-CE2 4.02Å; L259-F280 HydrophobicContact CD2-CZ 3.74Å; L259-F280 HydrophobicContact CG-CE2 4.43Å; I276-F280 HydrophobicContact CG2-CD2 3.71Å; I276-F280 HydrophobicContact CG2-CE2 4Å; I276-F280 VanDerWaalsContact O-CD2 3.29Å; I276-F280 WeakPolarHBondContact O-CD2 3.39Å; I276-F280 PolarHBondContact O-N 3.32Å; N277-F280 CarbonylContact O-C 3.49Å; N277-F280 PolarHBondContact O-N 2.79Å; F280-R282 VanDerWaalsContact C-N 3.26Å; F280-G287 CarbonylContact O-C 3.51Å; F280-G287 VanDerWaalsContact O-C 3.26Å; F280-G287 WeakPolarHBondContact O-CA 3.26Å; F280-G288 PolarHBondContact O-N 3.34Å; F280-V290 HydrophobicContact CB-CG2 4.49Å
281Q92.3Very high89.6Confident102 Ų10254 Ų5448%0.47729%0.288SS..THydrogen-bonded Turntrans-75.9-14.9163.3-77.9-178.710.100113.4N277 G288 V290N277-Q281 WeakPolarHBondContact O-CG 3.48Å; N277-Q281 PolarHBondContact O-N 2.86Å; N277-Q281 PolarHBondContact OD1-NE2 3.04Å; Q281-G288 WeakPolarHBondContact CA-O 3.41Å; Q281-V290 HydrophobicContact CG-CG2 3.97Å
282R89.7Confident89.6Confident127 Ų12754.8 Ų54.848%0.47929%0.291SS..  trans-87.3120.2-175-64.6172.6175.1-169.2-3.9111.1H279 F280 K284 N285 G287H279-R282 PolarHBondContact O-N 3.38Å; F280-R282 VanDerWaalsContact C-N 3.26Å; R282-K284 HydrophobicContact CB-CG 4.07Å; R282-K284 PolarHBondContact O-N 3.25Å; R282-K284 VanDerWaalsContact O-N 3.09Å; R282-N285 WeakPolarHBondContact O-CB 3.29Å; R282-N285 PolarHBondContact O-N 2.89Å; R282-G287 PolarHBondContact O-N 3.02Å
283A86.2Confident89.7Confident87 Ų8755.3 Ų55.372%0.71929%0.294SS*.G310 helixtrans-54.7-32177.900000114.2N285 G286A283-N285 PolarHBondContact O-N 3.06Å; A283-N285 VanDerWaalsContact O-N 3.14Å; A283-G286 PolarHBondContact O-N 3.22Å
284K86.8Confident89.6Confident157 Ų15758.4 Ų58.468%0.68331%0.307SS*.G310 helixtrans-62.1-19176.363.4167.9-176.7177.30114.4R282R282-K284 HydrophobicContact CB-CG 4.07Å; R282-K284 PolarHBondContact O-N 3.25Å; R282-K284 VanDerWaalsContact O-N 3.09Å
285N87.5Confident89.6Confident25 Ų2553.6 Ų53.613%0.13428%0.281CS..G310 helixtrans-100.615.3177.9-60.3-23.8000111.3M121 H124 H279 R282 A283 G287M121-N285 VanDerWaalsContact SD-C 3.51Å; H124-N285 PolarHBondContact CE1-O 3.41Å; H124-N285 VanDerWaalsContact CE1-O 3.3Å; H279-N285 PolarHBondContact CE1-ND2 3Å; H279-N285 VanDerWaalsContact CE1-ND2 3.27Å; H279-N285 PolarHBondContact NE2-ND2 3.25Å; H279-N285 PolarHBondContact O-ND2 3.41Å; R282-N285 WeakPolarHBondContact O-CB 3.29Å; R282-N285 PolarHBondContact O-N 2.89Å; A283-N285 PolarHBondContact O-N 3.06Å; A283-N285 VanDerWaalsContact O-N 3.14Å; N285-G287 PolarHBondContact O-N 2.81Å
286G85.3Confident89.5Confident16 Ų1651.3 Ų51.317%0.16527%0.269CS..THydrogen-bonded Turntrans71.66.9-172.900000114V118 A283V118-G286 WeakPolarHBondContact CG2-O 3.42Å; A283-G286 PolarHBondContact O-N 3.22Å
287G87.8Confident89.2Confident10 Ų1051.8 Ų51.810%0.10327%0.272CS..  trans-85.7178.9-174.200000115.3V114 F280 R282 N285V114-G287 VanDerWaalsContact CG1-C 3.5Å; F280-G287 CarbonylContact O-C 3.51Å; F280-G287 VanDerWaalsContact O-C 3.26Å; F280-G287 WeakPolarHBondContact O-CA 3.26Å; R282-G287 PolarHBondContact O-N 3.02Å; N285-G287 PolarHBondContact O-N 2.81Å
288G91.3Very high88.6Confident17 Ų1755.6 Ų55.618%0.17529%0.292CS..  trans-171.3-160-17500000111.6V114 F280 Q281 V290V114-G288 VanDerWaalsContact CG1-N 3.32Å; F280-G288 PolarHBondContact O-N 3.34Å; Q281-G288 WeakPolarHBondContact CA-O 3.41Å; G288-V290 WeakPolarHBondContact O-CG2 3.29Å; G288-V290 PolarHBondContact O-N 2.89Å
289E90.9Very high88.1Confident127 Ų12758.7 Ų58.759%0.59331%0.305SS*.  trans-65.2125.2-178.8-163.5159.3-165.900111.2F109 E110F109-E289 WeakPolarHBondContact CA-O 3.29Å; E110-E289 HydrophobicContact CB-CB 4.22Å; E110-E289 VanDerWaalsContact CD-CD 3.42Å; E110-E289 VanDerWaalsContact CD-CG 3.48Å; E110-E289 HydrophobicContact CG-CB 4.06Å; E110-E289 HydrophobicContact CG-CG 3.84Å; E110-E289 PolarHBondContact N-O 3.31Å; E110-E289 VanDerWaalsContact OE2-CD 3.31Å
290V89.7Confident87.8Confident17 Ų1760.9 Ų60.910%0.10332%0.321CS..EExtended strand (participates in β ladder)trans-103.8129.3-174.6179.80000108.4I107 F109 N277 F280 Q281 G288 V293I107-V290 HydrophobicContact CD1-CG1 3.98Å; I107-V290 HydrophobicContact CD1-CG2 3.94Å; I107-V290 HydrophobicContact CG1-CG1 3.86Å; I107-V290 HydrophobicContact CG1-CG2 4.48Å; F109-V290 HydrophobicContact CD1-CG2 3.97Å; F109-V290 HydrophobicContact CE1-CG2 3.79Å; N277-V290 VanDerWaalsContact OD1-CB 3.31Å; N277-V290 WeakPolarHBondContact OD1-CB 3.04Å; F280-V290 HydrophobicContact CB-CG2 4.49Å; Q281-V290 HydrophobicContact CG-CG2 3.97Å; G288-V290 WeakPolarHBondContact O-CG2 3.29Å; G288-V290 PolarHBondContact O-N 2.89Å; V290-V293 HydrophobicContact CG1-CG2 3.59Å
291D88.1Confident87.2Confident88 Ų8863.8 Ų63.847%0.47133%0.334SS..EExtended strand (participates in β ladder)trans-88.8-51.7-179.6-166.18.9000110.4T108 E110 R255T108-D291 HydrophobicContact CG2-CB 4.49Å; T108-D291 PolarHBondContact O-N 2.86Å; E110-D291 HydrophobicContact CG-CB 4.47Å; R255-D291 IonicContact NH2-OD2 2.71Å
292V88.6Confident86.7Confident56 Ų5663.6 Ų63.634%0.33934%0.335SS..EExtended strand (participates in β ladder)trans-146.8144.5178.465.30000112.2T108 K294T108-V292 HydrophobicContact CG2-CG1 4.48Å; T108-V292 PolarHBondContact N-O 3.01Å; T108-V292 PolarHBondContact O-N 3.42Å; T108-V292 WeakPolarHBondContact OG1-CG1 3.38Å; V292-K294 HydrophobicContact CG2-CG 4.34Å
293V89.9Confident86.1Confident12 Ų1257.8 Ų57.87%0.07332%0.315CS..EExtended strand (participates in β ladder)trans-123.6135.1167.9-170.30000108.3L106 I107 E273 I276 N277 V290L106-V293 WeakPolarHBondContact O-CA 3.02Å; I107-V293 HydrophobicContact CB-CG2 4.49Å; I107-V293 HydrophobicContact CD1-CG2 4.08Å; I107-V293 HydrophobicContact CG1-CG2 4.03Å; E273-V293 HydrophobicContact CB-CB 4.25Å; E273-V293 HydrophobicContact CB-CG1 4.17Å; E273-V293 HydrophobicContact CG-CB 4.39Å; E273-V293 HydrophobicContact CG-CG1 4.08Å; I276-V293 HydrophobicContact CB-CG1 4.16Å; I276-V293 HydrophobicContact CG2-CG1 3.75Å; N277-V293 HydrophobicContact CB-CG2 3.95Å; V290-V293 HydrophobicContact CG1-CG2 3.59Å
294K90.8Very high85.5Confident88 Ų8859.9 Ų59.938%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-135.3126.8173.8-81.7-72.6140.9-133.90109.8L100 A105 L106 E273 V292 A303L100-K294 HydrophobicContact CD1-CB 4.23Å; A105-K294 CarbonylContact C-O 3.44Å; A105-K294 WeakPolarHBondContact CA-O 3.27Å; A105-K294 WeakPolarHBondContact CB-O 3.16Å; L106-K294 PolarHBondContact N-O 2.85Å; L106-K294 PolarHBondContact O-N 3.36Å; E273-K294 VanDerWaalsContact CD-NZ 3.35Å; E273-K294 VanDerWaalsContact OE1-CA 3.29Å; E273-K294 WeakPolarHBondContact OE1-CA 3.38Å; E273-K294 IonicContact OE1-NZ 2.83Å; E273-K294 PolarHBondContact OE1-NZ 2.84Å; E273-K294 IonicContact OE2-NZ 3.9Å; E273-K294 PolarHBondContact OE2-NZ 3.09Å; V292-K294 HydrophobicContact CG2-CG 4.34Å; K294-A303 HydrophobicContact CB-CB 4.33Å
295C89.3Confident84.9Confident0 Ų052.7 Ų52.70%027%0.273CS..EExtended strand (participates in β ladder)trans-125.5151178.177.80000112.9Q104 A105 E269 E273 H301Q104-C295 WeakPolarHBondContact O-CA 3.29Å; A105-C295 HydrophobicContact CB-CB 3.49Å; A105-C295 VanDerWaalsContact CB-CB 3.49Å; E269-C295 PolarHBondContact O-SG 3.14Å; E273-C295 HydrophobicContact CG-CB 4.22Å; E273-C295 PolarHBondContact OE1-N 3.14Å; C295-H301 PolarHBondContact O-CE1 2.94Å
296S88.6Confident83.8Confident0 Ų056.2 Ų56.20%029%0.289CS..EExtended strand (participates in β ladder)trans-118.5114.6172169.20000108.5G103 Q104 E269 Q299G103-S296 WeakPolarHBondContact CA-O 3.45Å; G103-S296 PolarHBondContact N-O 3.2Å; Q104-S296 PolarHBondContact N-O 3.16Å; Q104-S296 PolarHBondContact O-N 3.31Å; E269-S296 WeakPolarHBondContact OE1-CA 3.14Å; S296-Q299 PolarHBondContact OG-O 3.11Å
297L84.3Confident82.7Confident10 Ų1057.7 Ų57.75%0.05229%0.292CS..SBendtrans-108.9-30.1-178.4-61.7178.2000113.2K102 M262 I265 E269 V272K102-L297 WeakPolarHBondContact CE-O 3.49Å; K102-L297 VanDerWaalsContact CG-O 3.23Å; K102-L297 WeakPolarHBondContact CG-O 3.38Å; M262-L297 HydrophobicContact CB-CD2 4.41Å; I265-L297 HydrophobicContact CB-CD2 4.4Å; I265-L297 HydrophobicContact CD1-CD2 4.02Å; I265-L297 HydrophobicContact CG2-CD1 4.45Å; E269-L297 HydrophobicContact CG-CB 4.13Å; E269-L297 HydrophobicContact CG-CD1 4Å; E269-L297 HydrophobicContact CG-CG 3.98Å; E269-L297 PolarHBondContact OE1-N 2.79Å; V272-L297 HydrophobicContact CB-CD1 3.99Å; V272-L297 HydrophobicContact CG1-CD1 4.32Å; V272-L297 HydrophobicContact CG2-CD1 3.64Å
298D79.8Confident82.5Confident119 Ų11960.1 Ų60.164%0.63630%0.301SS*.SBendtrans-107.4-62.2-176.7-75.5-33.9000112.8K102K102-D298 WeakPolarHBondContact CD-O 3.46Å
299Q80.2Confident82Confident154 Ų15462.4 Ų62.472%0.7231%0.308SS*.SBendtrans-123142.7-176.7-67.9-171.6-12.800111.6S296S296-Q299 PolarHBondContact OG-O 3.11Å
300P84.2Confident81.5Confident67 Ų6758.8 Ų58.844%0.43529%0.292SS..  trans-58139.8173.1-21.632.3000111.5L100L100-P300 WeakPolarHBondContact O-CA 3.43Å; L100-P300 WeakPolarHBondContact O-CB 3.39Å
301H81.3Confident81Confident61 Ų6161.2 Ų61.228%0.28230%0.303SS..EExtended strand (participates in β ladder)trans-147.1161.117466.8-104.7000111.4L100 C295 A303L100-H301 PolarHBondContact N-O 2.91Å; L100-H301 PolarHBondContact O-N 3.12Å; C295-H301 PolarHBondContact O-CE1 2.94Å; H301-A303 PolarHBondContact O-N 3.19Å
302I81.3Confident80.6Confident97 Ų9759.6 Ų59.650%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-81.9118.9177.7-59.5175.9000108.7P97 Y98 Y304P97-I302 HydrophobicContact CB-CG2 3.67Å; Y98-I302 WeakPolarHBondContact O-CA 3.32Å; I302-Y304 HydrophobicContact CG2-CE1 4.25Å; I302-Y304 HydrophobicContact CG2-CE2 3.97Å
303A77.6Confident80.1Confident5 Ų559.8 Ų59.84%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-100.4148.3166.700000109.8Y98 L100 L106 K294 H301Y98-A303 PolarHBondContact N-O 3.21Å; Y98-A303 PolarHBondContact O-N 3.39Å; L100-A303 HydrophobicContact CD1-CB 3.58Å; L100-A303 HydrophobicContact CG-CB 3.92Å; L106-A303 HydrophobicContact CD1-CB 3.81Å; K294-A303 HydrophobicContact CB-CB 4.33Å; H301-A303 PolarHBondContact O-N 3.19Å
304Y73.2Confident79.4Confident132 Ų13263.2 Ų63.252%0.51831%0.305SS..EExtended strand (participates in β ladder)trans-114.7140.3177.2-63.8-86.8000108.7K95 P97 I302K95-Y304 HydrophobicContact CB-CD1 3.92Å; K95-Y304 HydrophobicContact CB-CG 4.42Å; P97-Y304 HydrophobicContact CB-CD1 4.24Å; P97-Y304 HydrophobicContact CB-CE1 3.93Å; I302-Y304 HydrophobicContact CG2-CE1 4.25Å; I302-Y304 HydrophobicContact CG2-CE2 3.97Å
305F74.3Confident78.5Confident5 Ų561.3 Ų61.32%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-135.1156175.963.4-80.4000110.7V96 V140 L142 T256V96-F305 HydrophobicContact CB-CE1 3.85Å; V96-F305 HydrophobicContact CB-CE2 4.32Å; V96-F305 HydrophobicContact CB-CZ 3.72Å; V96-F305 HydrophobicContact CG1-CE1 3.99Å; V96-F305 HydrophobicContact CG1-CZ 3.85Å; V96-F305 PolarHBondContact N-O 2.85Å; V96-F305 VanDerWaalsContact O-CD1 3.27Å; V96-F305 WeakPolarHBondContact O-CD1 3.36Å; V96-F305 VanDerWaalsContact O-CE1 3.25Å; V96-F305 WeakPolarHBondContact O-CE1 3.41Å; V140-F305 HydrophobicContact CG1-CE1 4.35Å; V140-F305 HydrophobicContact CG1-CZ 4.07Å; L142-F305 HydrophobicContact CD2-CD2 4.43Å; L142-F305 HydrophobicContact CD2-CE2 3.13Å; L142-F305 HydrophobicContact CD2-CZ 3.27Å; T256-F305 HydrophobicContact CG2-CB 4.19Å; T256-F305 HydrophobicContact CG2-CD2 4.16Å; T256-F305 HydrophobicContact CG2-CG 4.16Å; T256-F305 VanDerWaalsContact OG1-CD2 3.29Å; T256-F305 WeakPolarHBondContact OG1-CD2 3.18Å
306E63.1Low77.6Confident100 Ų10066.4 Ų66.447%0.46732%0.324SS..  trans-110.7135.4-173.4-64.2-177.6-174.800109.5K95K95-E306 WeakPolarHBondContact CE-OE1 3.5Å; K95-E306 HydrophobicContact CG-CG 4.38Å; K95-E306 IonicContact NZ-OE1 2.71Å; K95-E306 PolarHBondContact NZ-OE1 2.93Å
307E63.5Low76.6Confident47 Ų4772.5 Ų72.522%0.2235%0.354CS..  trans-1130177-165.677.3-140.800111.7S93 F249 S253 K254S93-E307 PolarHBondContact OG-O 3.47Å; S93-E307 VanDerWaalsContact OG-O 3.11Å; F249-E307 HydrophobicContact CE2-CB 4.37Å; F249-E307 HydrophobicContact CZ-CB 4.4Å; S253-E307 VanDerWaalsContact CA-OE2 3.25Å; S253-E307 WeakPolarHBondContact CA-OE2 3.46Å; S253-E307 VanDerWaalsContact CB-OE2 3.31Å; S253-E307 WeakPolarHBondContact CB-OE2 3.22Å; S253-E307 PolarHBondContact OG-OE2 3.03Å; K254-E307 VanDerWaalsContact CB-OE1 3.23Å; K254-E307 WeakPolarHBondContact CB-OE1 3.46Å; K254-E307 PolarHBondContact N-OE1 3.13Å; K254-E307 PolarHBondContact N-OE2 3.29Å

Retrieved 307 of 307 residues in 57.8 ms (Link to these results)